smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627209 719080661 /nfs/dbraw/zinc/08/06/61/719080661.db2.gz PRYRESSUANGVLI-ZWKOTPCHSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629904 719081041 /nfs/dbraw/zinc/08/10/41/719081041.db2.gz ZVNQEGFZFGKJBN-ROUUACIJSA-N 1 1 402.876 4.252 20 30 HIEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629053 719089715 /nfs/dbraw/zinc/08/97/15/719089715.db2.gz QPOYYEVVBRBVJC-DENIHFKCSA-N 1 1 417.557 4.039 20 30 HIEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811695 720206618 /nfs/dbraw/zinc/20/66/18/720206618.db2.gz JSSHASXSVFVSHS-HOYKHHGWSA-N 1 1 424.976 4.253 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164838193 720711142 /nfs/dbraw/zinc/71/11/42/720711142.db2.gz HCYDWNIFROQEQO-HSZRJFAPSA-N 1 1 416.569 4.092 20 30 HIEDMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)cc1C#N ZINC001164836995 720728467 /nfs/dbraw/zinc/72/84/67/720728467.db2.gz CMWCEGFWFVLNQX-HXUWFJFHSA-N 1 1 410.949 4.175 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@@H]2C ZINC001164862937 721017301 /nfs/dbraw/zinc/01/73/01/721017301.db2.gz RWSNRMQNUXFVQE-OAHLLOKOSA-N 1 1 408.937 4.378 20 30 HIEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903124 721555246 /nfs/dbraw/zinc/55/52/46/721555246.db2.gz ARZMSLQVLCPVMZ-QUCCMNQESA-N 1 1 420.513 4.163 20 30 HIEDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921021 721866256 /nfs/dbraw/zinc/86/62/56/721866256.db2.gz BVOXBDWNYITFJJ-RTWAWAEBSA-N 1 1 417.582 4.050 20 30 HIEDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921021 721866257 /nfs/dbraw/zinc/86/62/57/721866257.db2.gz BVOXBDWNYITFJJ-RTWAWAEBSA-N 1 1 417.582 4.050 20 30 HIEDMO N#CC1(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996612 722206714 /nfs/dbraw/zinc/20/67/14/722206714.db2.gz UJNKGIZPCHHOEA-VWLOTQADSA-N 1 1 420.532 4.037 20 30 HIEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000008092634 845473610 /nfs/dbraw/zinc/47/36/10/845473610.db2.gz PTEJISFDJAECOZ-UHFFFAOYSA-N 1 1 424.570 4.015 20 30 HIEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000008092634 845473615 /nfs/dbraw/zinc/47/36/15/845473615.db2.gz PTEJISFDJAECOZ-UHFFFAOYSA-N 1 1 424.570 4.015 20 30 HIEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000012807548 845891205 /nfs/dbraw/zinc/89/12/05/845891205.db2.gz SDPRRWSJBCMMJO-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000436356516 861683559 /nfs/dbraw/zinc/68/35/59/861683559.db2.gz GUONEXNWMJZECH-UHFFFAOYSA-N 1 1 409.555 4.170 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000436359343 861689106 /nfs/dbraw/zinc/68/91/06/861689106.db2.gz DWJNDMBGBJQYBT-GCYXNMHMSA-N 1 1 417.553 4.208 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000436359343 861689142 /nfs/dbraw/zinc/68/91/42/861689142.db2.gz DWJNDMBGBJQYBT-GCYXNMHMSA-N 1 1 417.553 4.208 20 30 HIEDMO CCCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000023752240 846746130 /nfs/dbraw/zinc/74/61/30/846746130.db2.gz XFGQIJOFPRJTFZ-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO CCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000023752240 846746140 /nfs/dbraw/zinc/74/61/40/846746140.db2.gz XFGQIJOFPRJTFZ-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752006 846746167 /nfs/dbraw/zinc/74/61/67/846746167.db2.gz OWDWVYMSBDUHJA-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752006 846746174 /nfs/dbraw/zinc/74/61/74/846746174.db2.gz OWDWVYMSBDUHJA-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000028960655 847484750 /nfs/dbraw/zinc/48/47/50/847484750.db2.gz OROXOWLBYWTBFY-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000029984594 847664141 /nfs/dbraw/zinc/66/41/41/847664141.db2.gz LDMGLKDBAIVOQV-UHFFFAOYSA-N 1 1 413.521 4.485 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc(OC)c1OC ZINC000031765851 847944919 /nfs/dbraw/zinc/94/49/19/847944919.db2.gz BGUMOWCEHGSKQE-UHFFFAOYSA-N 1 1 408.542 4.089 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000032833453 848080954 /nfs/dbraw/zinc/08/09/54/848080954.db2.gz YWSXEIHYPYOUQO-UHFFFAOYSA-N 1 1 407.517 4.478 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000032833453 848080960 /nfs/dbraw/zinc/08/09/60/848080960.db2.gz YWSXEIHYPYOUQO-UHFFFAOYSA-N 1 1 407.517 4.478 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000043636364 848444113 /nfs/dbraw/zinc/44/41/13/848444113.db2.gz MLGGYLZACLVDIV-UHFFFAOYSA-N 1 1 417.538 4.422 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000043636364 848444117 /nfs/dbraw/zinc/44/41/17/848444117.db2.gz MLGGYLZACLVDIV-UHFFFAOYSA-N 1 1 417.538 4.422 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156000 848641570 /nfs/dbraw/zinc/64/15/70/848641570.db2.gz XNDMJTRPNIGCNA-DEOSSOPVSA-N 1 1 414.509 4.158 20 30 HIEDMO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529165 848868095 /nfs/dbraw/zinc/86/80/95/848868095.db2.gz RYQIPQXSYLEPOB-HNNXBMFYSA-N 1 1 406.511 4.149 20 30 HIEDMO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529165 848868100 /nfs/dbraw/zinc/86/81/00/848868100.db2.gz RYQIPQXSYLEPOB-HNNXBMFYSA-N 1 1 406.511 4.149 20 30 HIEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046983246 848967505 /nfs/dbraw/zinc/96/75/05/848967505.db2.gz IVUREKBNQBMGGX-HXUWFJFHSA-N 1 1 414.937 4.085 20 30 HIEDMO CSc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054685 848977467 /nfs/dbraw/zinc/97/74/67/848977467.db2.gz RRGLMORBHOXIQQ-GOSISDBHSA-N 1 1 408.571 4.259 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127794 848990079 /nfs/dbraw/zinc/99/00/79/848990079.db2.gz PFUYFJRLCLTJPK-KDURUIRLSA-N 1 1 413.587 4.255 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127794 848990085 /nfs/dbraw/zinc/99/00/85/848990085.db2.gz PFUYFJRLCLTJPK-KDURUIRLSA-N 1 1 413.587 4.255 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C#N)cc1 ZINC000047739899 849101966 /nfs/dbraw/zinc/10/19/66/849101966.db2.gz VBCYWMZUIFRQLI-UHFFFAOYSA-N 1 1 401.264 4.376 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C#N)cc1 ZINC000047739899 849101972 /nfs/dbraw/zinc/10/19/72/849101972.db2.gz VBCYWMZUIFRQLI-UHFFFAOYSA-N 1 1 401.264 4.376 20 30 HIEDMO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)c(OC)c1 ZINC000051377131 849464684 /nfs/dbraw/zinc/46/46/84/849464684.db2.gz CPJRWSRJMLDBQT-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)c(OC)c1 ZINC000051377131 849464695 /nfs/dbraw/zinc/46/46/95/849464695.db2.gz CPJRWSRJMLDBQT-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407131 849465448 /nfs/dbraw/zinc/46/54/48/849465448.db2.gz WNKCZAGAJXRJAN-HXUWFJFHSA-N 1 1 404.432 4.176 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C ZINC000051560248 849484908 /nfs/dbraw/zinc/48/49/08/849484908.db2.gz SAQQVKVVLOCCRT-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C ZINC000051560248 849484915 /nfs/dbraw/zinc/48/49/15/849484915.db2.gz SAQQVKVVLOCCRT-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(C#N)cc1 ZINC000052825640 849632057 /nfs/dbraw/zinc/63/20/57/849632057.db2.gz XQONSJIBVWVOGG-UHFFFAOYSA-N 1 1 401.514 4.212 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(C#N)cc1 ZINC000052825640 849632066 /nfs/dbraw/zinc/63/20/66/849632066.db2.gz XQONSJIBVWVOGG-UHFFFAOYSA-N 1 1 401.514 4.212 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962668 849782907 /nfs/dbraw/zinc/78/29/07/849782907.db2.gz XUXINLJXKDBMEG-NRFANRHFSA-N 1 1 406.555 4.013 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000053985685 849786139 /nfs/dbraw/zinc/78/61/39/849786139.db2.gz XQVZRBNQKOUQRB-UHFFFAOYSA-N 1 1 419.978 4.132 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056162147 850265008 /nfs/dbraw/zinc/26/50/08/850265008.db2.gz OKRUHUYIKPGFQW-AQNXPRMDSA-N 1 1 404.558 4.153 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c1C ZINC000056495745 850380082 /nfs/dbraw/zinc/38/00/82/850380082.db2.gz ZYSFSFNVWQWICJ-UHFFFAOYSA-N 1 1 410.606 4.138 20 30 HIEDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000060089208 851040399 /nfs/dbraw/zinc/04/03/99/851040399.db2.gz BKPZGNYLHFYKDC-DEOSSOPVSA-N 1 1 403.457 4.218 20 30 HIEDMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000060477563 851112021 /nfs/dbraw/zinc/11/20/21/851112021.db2.gz STNXDYSCUCQCHJ-GOSISDBHSA-N 1 1 406.530 4.062 20 30 HIEDMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000060477563 851112026 /nfs/dbraw/zinc/11/20/26/851112026.db2.gz STNXDYSCUCQCHJ-GOSISDBHSA-N 1 1 406.530 4.062 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000060693066 851193594 /nfs/dbraw/zinc/19/35/94/851193594.db2.gz IHISXFZJCZKZHB-HXUWFJFHSA-N 1 1 405.542 4.379 20 30 HIEDMO CCC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000061001752 851269989 /nfs/dbraw/zinc/26/99/89/851269989.db2.gz PRFBVWOBAPNYTQ-QHCPKHFHSA-N 1 1 421.541 4.151 20 30 HIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063288285 851652675 /nfs/dbraw/zinc/65/26/75/851652675.db2.gz HNABHCGMSXZJQC-INIZCTEOSA-N 1 1 411.285 4.330 20 30 HIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063288285 851652677 /nfs/dbraw/zinc/65/26/77/851652677.db2.gz HNABHCGMSXZJQC-INIZCTEOSA-N 1 1 411.285 4.330 20 30 HIEDMO COc1ccc([C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccc(F)cc2)cc1 ZINC000063472791 851698726 /nfs/dbraw/zinc/69/87/26/851698726.db2.gz YTANHCDDJUJJON-QHCPKHFHSA-N 1 1 409.505 4.198 20 30 HIEDMO COc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OCCCC#N ZINC000064614269 851940331 /nfs/dbraw/zinc/94/03/31/851940331.db2.gz FSELGZRDNKMTAO-UHFFFAOYSA-N 1 1 416.525 4.342 20 30 HIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000078916776 852534326 /nfs/dbraw/zinc/53/43/26/852534326.db2.gz RJFCHGSZUFXFTH-SFHVURJKSA-N 1 1 409.530 4.361 20 30 HIEDMO C=C(C)C[N@H+](CC)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954697 852562275 /nfs/dbraw/zinc/56/22/75/852562275.db2.gz PLPPKEWSVCRIOQ-JOCHJYFZSA-N 1 1 405.542 4.323 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c(C#N)c1C ZINC000108217335 852830202 /nfs/dbraw/zinc/83/02/02/852830202.db2.gz OBJRAYGTEDUQSR-UHFFFAOYSA-N 1 1 423.435 4.397 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c(C#N)c1C ZINC000108217335 852830206 /nfs/dbraw/zinc/83/02/06/852830206.db2.gz OBJRAYGTEDUQSR-UHFFFAOYSA-N 1 1 423.435 4.397 20 30 HIEDMO C=CCN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccc(OC)cc1 ZINC000108236484 852831098 /nfs/dbraw/zinc/83/10/98/852831098.db2.gz BDAFEJZQKHYLEZ-UHFFFAOYSA-N 1 1 418.419 4.217 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000112523620 853231503 /nfs/dbraw/zinc/23/15/03/853231503.db2.gz NKEMAUBRTYWASP-QHCPKHFHSA-N 1 1 404.558 4.263 20 30 HIEDMO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)cc(Br)c1OC(F)F ZINC000237305859 854002763 /nfs/dbraw/zinc/00/27/63/854002763.db2.gz FOIBRXJDIJXSDN-UHFFFAOYSA-N 1 1 415.209 4.360 20 30 HIEDMO C[C@@H]([NH2+]C1(CNCc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237404332 854024529 /nfs/dbraw/zinc/02/45/29/854024529.db2.gz QAKAZFIUAZUGDG-OAQYLSRUSA-N 1 1 406.574 4.026 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)c(-c2ccccc2)n1 ZINC000237831163 854105621 /nfs/dbraw/zinc/10/56/21/854105621.db2.gz WYLDIVVRKSBNQS-UHFFFAOYSA-N 1 1 400.404 4.494 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000247648474 854159058 /nfs/dbraw/zinc/15/90/58/854159058.db2.gz LLRJZVRNOMWHNI-UHFFFAOYSA-N 1 1 402.325 4.142 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965680 854192432 /nfs/dbraw/zinc/19/24/32/854192432.db2.gz NPZOYMYISYZCDP-VGOFRKELSA-N 1 1 404.539 4.303 20 30 HIEDMO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261396541 854247346 /nfs/dbraw/zinc/24/73/46/854247346.db2.gz SMHBMKNAZIVPAH-DYESRHJHSA-N 1 1 410.949 4.308 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301680877 854443385 /nfs/dbraw/zinc/44/33/85/854443385.db2.gz SSXPFYLEEIQHKH-KRWDZBQOSA-N 1 1 407.518 4.496 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303230807 854827582 /nfs/dbraw/zinc/82/75/82/854827582.db2.gz VLRAADZSJZEQMF-DEOSSOPVSA-N 1 1 404.558 4.044 20 30 HIEDMO C=C(C)COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000437350044 862626896 /nfs/dbraw/zinc/62/68/96/862626896.db2.gz ZSNINDJSKJDPLM-FDDCHVKYSA-N 1 1 417.571 4.223 20 30 HIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCc1ccccc1 ZINC000303522846 855010286 /nfs/dbraw/zinc/01/02/86/855010286.db2.gz DHPWGSAEKJUWPL-LJQANCHMSA-N 1 1 408.311 4.154 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCc1ccccc1 ZINC000303522846 855010294 /nfs/dbraw/zinc/01/02/94/855010294.db2.gz DHPWGSAEKJUWPL-LJQANCHMSA-N 1 1 408.311 4.154 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000303559084 855039475 /nfs/dbraw/zinc/03/94/75/855039475.db2.gz KXCSQNOWWWYSPU-XMMPIXPASA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000303559084 855039487 /nfs/dbraw/zinc/03/94/87/855039487.db2.gz KXCSQNOWWWYSPU-XMMPIXPASA-N 1 1 411.505 4.266 20 30 HIEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000303593130 855066087 /nfs/dbraw/zinc/06/60/87/855066087.db2.gz IGNCPHUZUTUQHE-CYFREDJKSA-N 1 1 421.541 4.217 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000303661354 855114421 /nfs/dbraw/zinc/11/44/21/855114421.db2.gz VSGZFFIQWVFZHB-RJGXRXQPSA-N 1 1 410.606 4.217 20 30 HIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665068 855116884 /nfs/dbraw/zinc/11/68/84/855116884.db2.gz FAYLSIHNFKATIK-PBHICJAKSA-N 1 1 413.319 4.127 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773920 855189900 /nfs/dbraw/zinc/18/99/00/855189900.db2.gz RFCUCNOIQKKQHS-AZUAARDMSA-N 1 1 407.489 4.056 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773920 855189907 /nfs/dbraw/zinc/18/99/07/855189907.db2.gz RFCUCNOIQKKQHS-AZUAARDMSA-N 1 1 407.489 4.056 20 30 HIEDMO CC(C)Oc1ccc(NC(=[NH2+])NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000304764846 855358617 /nfs/dbraw/zinc/35/86/17/855358617.db2.gz YNTGRRSFXQAYOQ-IBGZPJMESA-N 1 1 410.562 4.100 20 30 HIEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390580401 855456444 /nfs/dbraw/zinc/45/64/44/855456444.db2.gz ZCXNHUMGALPJCJ-NRFANRHFSA-N 1 1 413.359 4.215 20 30 HIEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390580401 855456447 /nfs/dbraw/zinc/45/64/47/855456447.db2.gz ZCXNHUMGALPJCJ-NRFANRHFSA-N 1 1 413.359 4.215 20 30 HIEDMO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000409814869 855668136 /nfs/dbraw/zinc/66/81/36/855668136.db2.gz YXRYASIZHQNAGL-CVDCTZTESA-N 1 1 413.525 4.042 20 30 HIEDMO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410379124 855962284 /nfs/dbraw/zinc/96/22/84/855962284.db2.gz BKUTYINVYCLXCK-UHFFFAOYSA-N 1 1 411.571 4.068 20 30 HIEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522186 856333159 /nfs/dbraw/zinc/33/31/59/856333159.db2.gz JUJFQXNLUDFCHJ-IAGOWNOFSA-N 1 1 417.619 4.458 20 30 HIEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522186 856333171 /nfs/dbraw/zinc/33/31/71/856333171.db2.gz JUJFQXNLUDFCHJ-IAGOWNOFSA-N 1 1 417.619 4.458 20 30 HIEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522185 856333334 /nfs/dbraw/zinc/33/33/34/856333334.db2.gz JUJFQXNLUDFCHJ-DLBZAZTESA-N 1 1 417.619 4.458 20 30 HIEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522185 856333342 /nfs/dbraw/zinc/33/33/42/856333342.db2.gz JUJFQXNLUDFCHJ-DLBZAZTESA-N 1 1 417.619 4.458 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)sc2c1CCCC2 ZINC000437513385 862861635 /nfs/dbraw/zinc/86/16/35/862861635.db2.gz HHAXOVGQJZBJAL-IBGZPJMESA-N 1 1 423.582 4.161 20 30 HIEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000428810943 857355041 /nfs/dbraw/zinc/35/50/41/857355041.db2.gz YYVGVIUWLNOIKO-FQEVSTJZSA-N 1 1 405.889 4.025 20 30 HIEDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856477 857374120 /nfs/dbraw/zinc/37/41/20/857374120.db2.gz LSVYUIKDSFVXET-QHCPKHFHSA-N 1 1 410.583 4.176 20 30 HIEDMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)nc(C)[nH+]1 ZINC000428887617 857391722 /nfs/dbraw/zinc/39/17/22/857391722.db2.gz YCNDUAUKNADMEX-HNNXBMFYSA-N 1 1 424.574 4.136 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429294548 857594382 /nfs/dbraw/zinc/59/43/82/857594382.db2.gz REHNTSUNJWKDIS-UHFFFAOYSA-N 1 1 404.901 4.290 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429294548 857594390 /nfs/dbraw/zinc/59/43/90/857594390.db2.gz REHNTSUNJWKDIS-UHFFFAOYSA-N 1 1 404.901 4.290 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429408536 857649756 /nfs/dbraw/zinc/64/97/56/857649756.db2.gz XAVFNYPDJBYNTQ-SJORKVTESA-N 1 1 414.619 4.022 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000429988967 857985918 /nfs/dbraw/zinc/98/59/18/857985918.db2.gz YQMCQIFBQKAFMO-UHFFFAOYSA-N 1 1 415.541 4.234 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244976 858094334 /nfs/dbraw/zinc/09/43/34/858094334.db2.gz ZFVPYUKVGHGYMU-OXJNMPFZSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244976 858094346 /nfs/dbraw/zinc/09/43/46/858094346.db2.gz ZFVPYUKVGHGYMU-OXJNMPFZSA-N 1 1 419.294 4.037 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000430652265 858249342 /nfs/dbraw/zinc/24/93/42/858249342.db2.gz HLTFXYFUKOAUEK-OFNKIYASSA-N 1 1 405.542 4.277 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000430652261 858249744 /nfs/dbraw/zinc/24/97/44/858249744.db2.gz HLTFXYFUKOAUEK-NFBKMPQASA-N 1 1 405.542 4.277 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430671299 858261291 /nfs/dbraw/zinc/26/12/91/858261291.db2.gz WJNNOFOMGUZJFR-APTRMMRNSA-N 1 1 405.542 4.131 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765096 858296286 /nfs/dbraw/zinc/29/62/86/858296286.db2.gz DUSWLHZAWUOWHM-UMEGOILYSA-N 1 1 406.526 4.296 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673269 858730228 /nfs/dbraw/zinc/73/02/28/858730228.db2.gz MHQIMYWLYPUWCB-OFNKIYASSA-N 1 1 407.558 4.446 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673267 858730241 /nfs/dbraw/zinc/73/02/41/858730241.db2.gz MHQIMYWLYPUWCB-NFBKMPQASA-N 1 1 407.558 4.446 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873429 858849725 /nfs/dbraw/zinc/84/97/25/858849725.db2.gz UCCCQNLGQUZDDB-YKSBVNFPSA-N 1 1 420.557 4.142 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873429 858849727 /nfs/dbraw/zinc/84/97/27/858849727.db2.gz UCCCQNLGQUZDDB-YKSBVNFPSA-N 1 1 420.557 4.142 20 30 HIEDMO CC1(C)C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000432150406 859017068 /nfs/dbraw/zinc/01/70/68/859017068.db2.gz MHEJUTAJLGRLHL-HSZRJFAPSA-N 1 1 402.542 4.198 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000432940513 859439120 /nfs/dbraw/zinc/43/91/20/859439120.db2.gz SCWZVMOOBJOGIZ-IAGOWNOFSA-N 1 1 405.384 4.412 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000432940513 859439121 /nfs/dbraw/zinc/43/91/21/859439121.db2.gz SCWZVMOOBJOGIZ-IAGOWNOFSA-N 1 1 405.384 4.412 20 30 HIEDMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cs2)c1C ZINC000433035977 859493148 /nfs/dbraw/zinc/49/31/48/859493148.db2.gz PPNSEFIUNHCELJ-IBGZPJMESA-N 1 1 407.543 4.045 20 30 HIEDMO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000434903354 860546929 /nfs/dbraw/zinc/54/69/29/860546929.db2.gz IZSMUSVJSWXLLM-FQEVSTJZSA-N 1 1 413.521 4.213 20 30 HIEDMO C[C@H](Oc1cccc2ccccc21)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000434903354 860546933 /nfs/dbraw/zinc/54/69/33/860546933.db2.gz IZSMUSVJSWXLLM-FQEVSTJZSA-N 1 1 413.521 4.213 20 30 HIEDMO N#CCCn1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000435131277 860655071 /nfs/dbraw/zinc/65/50/71/860655071.db2.gz CNXAQPFVHPCXIW-XMMPIXPASA-N 1 1 415.541 4.121 20 30 HIEDMO CCc1nnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c(C#N)c1CC ZINC000467797521 881620835 /nfs/dbraw/zinc/62/08/35/881620835.db2.gz UQODUWLUNKHGEP-UHFFFAOYSA-N 1 1 416.529 4.205 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988465 863351612 /nfs/dbraw/zinc/35/16/12/863351612.db2.gz RMQKWTMYIQJBHW-NVXWUHKLSA-N 1 1 406.477 4.278 20 30 HIEDMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636255 864067875 /nfs/dbraw/zinc/06/78/75/864067875.db2.gz KBQBKUJRTYSMJC-GOSISDBHSA-N 1 1 402.420 4.363 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC000439242753 864659840 /nfs/dbraw/zinc/65/98/40/864659840.db2.gz ALFFQICEMUEPFI-UHFFFAOYSA-N 1 1 407.945 4.269 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC000439242753 864659845 /nfs/dbraw/zinc/65/98/45/864659845.db2.gz ALFFQICEMUEPFI-UHFFFAOYSA-N 1 1 407.945 4.269 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439295406 864720301 /nfs/dbraw/zinc/72/03/01/864720301.db2.gz NEVLHPTZMGHOPT-HNAYVOBHSA-N 1 1 401.576 4.107 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392447 864816809 /nfs/dbraw/zinc/81/68/09/864816809.db2.gz AJNLVPCCTMSUNH-OPAMFIHVSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392447 864816823 /nfs/dbraw/zinc/81/68/23/864816823.db2.gz AJNLVPCCTMSUNH-OPAMFIHVSA-N 1 1 409.509 4.165 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579876 864901041 /nfs/dbraw/zinc/90/10/41/864901041.db2.gz HDNHFKYPBPOPRQ-UXHICEINSA-N 1 1 422.495 4.144 20 30 HIEDMO CCCc1c(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439683994 865020040 /nfs/dbraw/zinc/02/00/40/865020040.db2.gz VPTXHJUTPNUGFQ-HXUWFJFHSA-N 1 1 422.577 4.186 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](Cc2cccs2)CC1 ZINC000440671296 865861316 /nfs/dbraw/zinc/86/13/16/865861316.db2.gz VVLGTZMMEVFZBZ-UHFFFAOYSA-N 1 1 413.344 4.253 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000440982327 866064847 /nfs/dbraw/zinc/06/48/47/866064847.db2.gz APBFOCLCNQCUMS-UABWJHLCSA-N 1 1 404.505 4.118 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000440982327 866064867 /nfs/dbraw/zinc/06/48/67/866064867.db2.gz APBFOCLCNQCUMS-UABWJHLCSA-N 1 1 404.505 4.118 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286003 866360491 /nfs/dbraw/zinc/36/04/91/866360491.db2.gz YYGJFWKHFHNFCX-XZOQPEGZSA-N 1 1 406.526 4.394 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286000 866360734 /nfs/dbraw/zinc/36/07/34/866360734.db2.gz YYGJFWKHFHNFCX-DHIUTWEWSA-N 1 1 406.526 4.394 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329818 866401662 /nfs/dbraw/zinc/40/16/62/866401662.db2.gz DTMXVXDBXLXXGR-WZONZLPQSA-N 1 1 408.521 4.364 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182754 867205442 /nfs/dbraw/zinc/20/54/42/867205442.db2.gz RIONHRLWOGFNPG-FUHWJXTLSA-N 1 1 404.392 4.024 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000442197731 867220219 /nfs/dbraw/zinc/22/02/19/867220219.db2.gz XNFOVLNJOWNUGJ-UONOGXRCSA-N 1 1 410.440 4.231 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010380 867790593 /nfs/dbraw/zinc/79/05/93/867790593.db2.gz DKVBFVYWGKIHCG-SJLPKXTDSA-N 1 1 417.962 4.058 20 30 HIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443307187 867897722 /nfs/dbraw/zinc/89/77/22/867897722.db2.gz BVMCVJUUNNVSMJ-OAHLLOKOSA-N 1 1 407.337 4.283 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000443642100 868226613 /nfs/dbraw/zinc/22/66/13/868226613.db2.gz RFVOIRQRUVNSBU-QGZVFWFLSA-N 1 1 406.461 4.093 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000443642100 868226640 /nfs/dbraw/zinc/22/66/40/868226640.db2.gz RFVOIRQRUVNSBU-QGZVFWFLSA-N 1 1 406.461 4.093 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000444174818 868649157 /nfs/dbraw/zinc/64/91/57/868649157.db2.gz HTIMHQMFVFRSAO-ISKFKSNPSA-N 1 1 419.569 4.477 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1 ZINC000444192547 868658864 /nfs/dbraw/zinc/65/88/64/868658864.db2.gz GEYXMTVVXPMMCL-OXJNMPFZSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1 ZINC000444192547 868658868 /nfs/dbraw/zinc/65/88/68/868658868.db2.gz GEYXMTVVXPMMCL-OXJNMPFZSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248082 868695085 /nfs/dbraw/zinc/69/50/85/868695085.db2.gz VWEVALJHIUZIOS-PKTZIBPZSA-N 1 1 413.525 4.259 20 30 HIEDMO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444298738 868728944 /nfs/dbraw/zinc/72/89/44/868728944.db2.gz YSHAQGGDWNGKHE-NRFANRHFSA-N 1 1 400.526 4.292 20 30 HIEDMO C[C@H](N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1)C(F)(F)F ZINC000444638867 868924716 /nfs/dbraw/zinc/92/47/16/868924716.db2.gz KOXWDPQZNAHXGB-IBGZPJMESA-N 1 1 401.476 4.455 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444667118 868945503 /nfs/dbraw/zinc/94/55/03/868945503.db2.gz ATMOFJYABFBSJJ-RYUDHWBXSA-N 1 1 401.417 4.191 20 30 HIEDMO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1 ZINC000444668996 868946150 /nfs/dbraw/zinc/94/61/50/868946150.db2.gz FVXHNEAJVPPCGU-HXUWFJFHSA-N 1 1 408.509 4.213 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cc(C)cc(C)c2)c1C#N ZINC000444706735 868967107 /nfs/dbraw/zinc/96/71/07/868967107.db2.gz MRXVEYMXZGSYSW-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cc(C)cc(C)c2)c1C#N ZINC000444706735 868967117 /nfs/dbraw/zinc/96/71/17/868967117.db2.gz MRXVEYMXZGSYSW-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445880549 869870393 /nfs/dbraw/zinc/87/03/93/869870393.db2.gz OHIYLCUFELQHSV-OAHLLOKOSA-N 1 1 420.332 4.166 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445894700 869876446 /nfs/dbraw/zinc/87/64/46/869876446.db2.gz RCSVISCQCUJKGV-SFHVURJKSA-N 1 1 414.303 4.105 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000446165346 870105108 /nfs/dbraw/zinc/10/51/08/870105108.db2.gz LENXQIDLJYUIIW-UHFFFAOYSA-N 1 1 412.493 4.260 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000446829785 870744321 /nfs/dbraw/zinc/74/43/21/870744321.db2.gz LKUFXHHJQUPCOX-MRXNPFEDSA-N 1 1 420.351 4.136 20 30 HIEDMO C=CCC[C@H](C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)c1ccccc1 ZINC000447701556 871645124 /nfs/dbraw/zinc/64/51/24/871645124.db2.gz SSDXLORZCXNNTK-IBGZPJMESA-N 1 1 405.502 4.035 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448285559 872213148 /nfs/dbraw/zinc/21/31/48/872213148.db2.gz MKQFSBCFSXOZHG-BEFAXECRSA-N 1 1 408.464 4.359 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460283803 872872165 /nfs/dbraw/zinc/87/21/65/872872165.db2.gz OJSALGRXNBKIAK-AUSIDOKSSA-N 1 1 414.557 4.326 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460374708 873011910 /nfs/dbraw/zinc/01/19/10/873011910.db2.gz MBKLGEQCSSZVMQ-RCZVLFRGSA-N 1 1 421.589 4.198 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460556457 873276253 /nfs/dbraw/zinc/27/62/53/873276253.db2.gz HHGLUNQHNCUREY-VQIMIIECSA-N 1 1 415.969 4.321 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460781274 873636562 /nfs/dbraw/zinc/63/65/62/873636562.db2.gz JAYDXMRVMJDRFU-BJLQDIEVSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460801072 873673410 /nfs/dbraw/zinc/67/34/10/873673410.db2.gz ACFUWRSSDJALAL-UHFFFAOYSA-N 1 1 412.541 4.105 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461315701 874323515 /nfs/dbraw/zinc/32/35/15/874323515.db2.gz CZWDJUUGYNJWFB-PXNSSMCTSA-N 1 1 420.586 4.236 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)cc1 ZINC000461951799 875082558 /nfs/dbraw/zinc/08/25/58/875082558.db2.gz YYORHDZDDYQFSS-UHFFFAOYSA-N 1 1 416.481 4.168 20 30 HIEDMO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(F)c(F)c2)c1 ZINC000462192683 875299168 /nfs/dbraw/zinc/29/91/68/875299168.db2.gz UDPNYTGJZTUJKF-YADHBBJMSA-N 1 1 417.525 4.420 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462212543 875320524 /nfs/dbraw/zinc/32/05/24/875320524.db2.gz LHLQAQHIALABRF-UHFFFAOYSA-N 1 1 410.566 4.056 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000468883853 882923128 /nfs/dbraw/zinc/92/31/28/882923128.db2.gz FXDSLAASITTWER-FQEVSTJZSA-N 1 1 418.310 4.029 20 30 HIEDMO C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000462603069 875717530 /nfs/dbraw/zinc/71/75/30/875717530.db2.gz OEPHCQXGOAZYTO-KRWDZBQOSA-N 1 1 400.482 4.300 20 30 HIEDMO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000468940212 883006108 /nfs/dbraw/zinc/00/61/08/883006108.db2.gz JPJRMCMEJPIUOW-AUSIDOKSSA-N 1 1 402.542 4.344 20 30 HIEDMO C[C@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000468940447 883006716 /nfs/dbraw/zinc/00/67/16/883006716.db2.gz JPJRMCMEJPIUOW-CVDCTZTESA-N 1 1 402.542 4.344 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccc(F)c(F)c2)c1 ZINC000463246130 876302919 /nfs/dbraw/zinc/30/29/19/876302919.db2.gz HHJIFMHYFJMYKX-OXTHUFEASA-N 1 1 404.482 4.130 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000468990118 883057629 /nfs/dbraw/zinc/05/76/29/883057629.db2.gz MRSQPCRQLKAZNX-JOCHJYFZSA-N 1 1 414.553 4.239 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c(Br)c1 ZINC000503271382 912255453 /nfs/dbraw/zinc/25/54/53/912255453.db2.gz WXFQIOLCWJXFGI-HXUWFJFHSA-N 1 1 408.299 4.014 20 30 HIEDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000464856785 878136762 /nfs/dbraw/zinc/13/67/62/878136762.db2.gz RUTUGRXUSBLYBF-KRWDZBQOSA-N 1 1 412.603 4.427 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464903277 878216690 /nfs/dbraw/zinc/21/66/90/878216690.db2.gz VNICPPAJPRVPDQ-YKSBVNFPSA-N 1 1 405.542 4.085 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000464945920 878282990 /nfs/dbraw/zinc/28/29/90/878282990.db2.gz VIUQJQVRBOZRJM-HSZRJFAPSA-N 1 1 407.583 4.162 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000465246733 878668207 /nfs/dbraw/zinc/66/82/07/878668207.db2.gz OYHBWBIWLBXSEV-LJQANCHMSA-N 1 1 422.529 4.459 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000465466224 878899245 /nfs/dbraw/zinc/89/92/45/878899245.db2.gz LSLWAAXLBUIJRK-QGZVFWFLSA-N 1 1 419.554 4.342 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCCOc2cccc(C#N)c2)cc1 ZINC000465472449 878909839 /nfs/dbraw/zinc/90/98/39/878909839.db2.gz UCOHLCWSZWNJKR-GOSISDBHSA-N 1 1 402.498 4.479 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000503464755 912496705 /nfs/dbraw/zinc/49/67/05/912496705.db2.gz RHKGOQUQLNFIAL-FQEVSTJZSA-N 1 1 409.555 4.135 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CC2)cc1 ZINC000503471224 912505627 /nfs/dbraw/zinc/50/56/27/912505627.db2.gz FSDYDKHAKMQHLT-UHFFFAOYSA-N 1 1 418.566 4.428 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC000503499427 912545815 /nfs/dbraw/zinc/54/58/15/912545815.db2.gz TZCCNMDWHLOEIZ-LJQANCHMSA-N 1 1 416.525 4.273 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466607289 880377626 /nfs/dbraw/zinc/37/76/26/880377626.db2.gz DMERHCCBOXNCBE-NRFANRHFSA-N 1 1 421.545 4.140 20 30 HIEDMO N#CCSCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000466730429 880515552 /nfs/dbraw/zinc/51/55/52/880515552.db2.gz FJMZKBQVOFZIBI-UHFFFAOYSA-N 1 1 416.572 4.088 20 30 HIEDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000467175802 880904662 /nfs/dbraw/zinc/90/46/62/880904662.db2.gz KQHRSZFRVKDXTN-HNNXBMFYSA-N 1 1 409.555 4.324 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467216586 880945558 /nfs/dbraw/zinc/94/55/58/880945558.db2.gz JLXUFDUSZRXTGK-RUZDIDTESA-N 1 1 422.573 4.049 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000503558230 912631990 /nfs/dbraw/zinc/63/19/90/912631990.db2.gz PCSPGJGGOSFJQE-HSZRJFAPSA-N 1 1 411.509 4.224 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469225345 883324716 /nfs/dbraw/zinc/32/47/16/883324716.db2.gz RWSJFXYYQQBQNO-AVRDEDQJSA-N 1 1 414.509 4.338 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469469388 883693683 /nfs/dbraw/zinc/69/36/83/883693683.db2.gz VHWUKPXAWISZAW-UHFFFAOYSA-N 1 1 415.509 4.474 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592404 883827871 /nfs/dbraw/zinc/82/78/71/883827871.db2.gz FQBLEWSMXNCLHA-KRWDZBQOSA-N 1 1 412.509 4.076 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000503874861 912848349 /nfs/dbraw/zinc/84/83/49/912848349.db2.gz PUFFKPWLBGEFGW-BGYRXZFFSA-N 1 1 415.537 4.097 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000503874861 912848353 /nfs/dbraw/zinc/84/83/53/912848353.db2.gz PUFFKPWLBGEFGW-BGYRXZFFSA-N 1 1 415.537 4.097 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000503983128 912896028 /nfs/dbraw/zinc/89/60/28/912896028.db2.gz ZRDYFJLPPZPYEO-XMMPIXPASA-N 1 1 415.468 4.011 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000504036112 912942856 /nfs/dbraw/zinc/94/28/56/912942856.db2.gz MCBAXZPAMQSOJC-NOTZXAQLSA-N 1 1 417.553 4.056 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000471030991 885537714 /nfs/dbraw/zinc/53/77/14/885537714.db2.gz GGKHYADWGKAPCG-HXUWFJFHSA-N 1 1 413.610 4.084 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745949 886472145 /nfs/dbraw/zinc/47/21/45/886472145.db2.gz JOYVMFCDVCINKS-OHUGHZGNSA-N 1 1 414.553 4.035 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000472230131 887036341 /nfs/dbraw/zinc/03/63/41/887036341.db2.gz NYYDHZVNQBNMIU-XMMPIXPASA-N 1 1 401.510 4.110 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C2Cc3ccccc3C2)c1C#N ZINC000472439684 887288071 /nfs/dbraw/zinc/28/80/71/887288071.db2.gz MPKFJLNDLKUMPS-UHFFFAOYSA-N 1 1 416.525 4.046 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000473165968 887944460 /nfs/dbraw/zinc/94/44/60/887944460.db2.gz JQVUNJXPPXJTDS-MRXNPFEDSA-N 1 1 421.570 4.431 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000473357895 888081431 /nfs/dbraw/zinc/08/14/31/888081431.db2.gz PPBUKDXFPLSGLE-JOCHJYFZSA-N 1 1 418.566 4.135 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614804 888354263 /nfs/dbraw/zinc/35/42/63/888354263.db2.gz NIZGGMLJCKMUQF-NBGIEHNGSA-N 1 1 402.542 4.317 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474223308 889061679 /nfs/dbraw/zinc/06/16/79/889061679.db2.gz OOFICQWRLYOKMK-PZJWPPBQSA-N 1 1 422.598 4.226 20 30 HIEDMO C=C(C)COCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000474426840 889290859 /nfs/dbraw/zinc/29/08/59/889290859.db2.gz LZQQDGNOCIWDFH-IBGZPJMESA-N 1 1 403.866 4.110 20 30 HIEDMO CN(C(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475303307 890211449 /nfs/dbraw/zinc/21/14/49/890211449.db2.gz HIVDYEAUNPQINH-QFIPXVFZSA-N 1 1 415.493 4.077 20 30 HIEDMO N#Cc1csc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475630187 890570601 /nfs/dbraw/zinc/57/06/01/890570601.db2.gz YDHLEXWPPNSMRR-AWEZNQCLSA-N 1 1 405.239 4.224 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475883226 890816667 /nfs/dbraw/zinc/81/66/67/890816667.db2.gz VCIJDXIFZPGYGO-INIZCTEOSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475883226 890816673 /nfs/dbraw/zinc/81/66/73/890816673.db2.gz VCIJDXIFZPGYGO-INIZCTEOSA-N 1 1 404.449 4.206 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000476767258 891742717 /nfs/dbraw/zinc/74/27/17/891742717.db2.gz OWLAEYJGAYSKCP-UHFFFAOYSA-N 1 1 416.529 4.063 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477049090 891978527 /nfs/dbraw/zinc/97/85/27/891978527.db2.gz JBSVUISTYKEWLC-ZHRRBRCNSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477049090 891978543 /nfs/dbraw/zinc/97/85/43/891978543.db2.gz JBSVUISTYKEWLC-ZHRRBRCNSA-N 1 1 401.576 4.108 20 30 HIEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477302735 892264208 /nfs/dbraw/zinc/26/42/08/892264208.db2.gz CAYXMHBLRCIFHG-FQEVSTJZSA-N 1 1 400.444 4.085 20 30 HIEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000477762828 892852098 /nfs/dbraw/zinc/85/20/98/892852098.db2.gz BUUSPKNFYSSABO-UHFFFAOYSA-N 1 1 405.542 4.344 20 30 HIEDMO CC(C)(C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(F)cc(C#N)c1 ZINC000478667427 893914397 /nfs/dbraw/zinc/91/43/97/893914397.db2.gz YKWWQDBWZMEQPL-UHFFFAOYSA-N 1 1 400.523 4.446 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000478955366 894236200 /nfs/dbraw/zinc/23/62/00/894236200.db2.gz NARSLCSYDXIFOD-UHFFFAOYSA-N 1 1 416.978 4.036 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000478955366 894236220 /nfs/dbraw/zinc/23/62/20/894236220.db2.gz NARSLCSYDXIFOD-UHFFFAOYSA-N 1 1 416.978 4.036 20 30 HIEDMO N#CC1(NC(=O)c2cnc(Cc3ccccc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479271338 894546186 /nfs/dbraw/zinc/54/61/86/894546186.db2.gz FPCGPXVKGTVPRS-UHFFFAOYSA-N 1 1 416.550 4.022 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000479663632 894938479 /nfs/dbraw/zinc/93/84/79/894938479.db2.gz ZREUQAWPJFJFKP-HXUWFJFHSA-N 1 1 410.587 4.477 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000479663632 894938504 /nfs/dbraw/zinc/93/85/04/894938504.db2.gz ZREUQAWPJFJFKP-HXUWFJFHSA-N 1 1 410.587 4.477 20 30 HIEDMO COc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000481085434 896405395 /nfs/dbraw/zinc/40/53/95/896405395.db2.gz CJKGUMBONKETIQ-UHFFFAOYSA-N 1 1 400.320 4.406 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174511 896509923 /nfs/dbraw/zinc/50/99/23/896509923.db2.gz HSIYBPWJQMOZHS-QPPBQGQZSA-N 1 1 418.585 4.050 20 30 HIEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc(OC)c1OC ZINC000481298358 896642159 /nfs/dbraw/zinc/64/21/59/896642159.db2.gz BKPGVEPAFFAJOL-LBPRGKRZSA-N 1 1 405.292 4.197 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)c1ccc(F)c(F)c1 ZINC000481606639 896986448 /nfs/dbraw/zinc/98/64/48/896986448.db2.gz AGAMQWKWLOUGMI-OAQYLSRUSA-N 1 1 411.456 4.212 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000481607529 896988084 /nfs/dbraw/zinc/98/80/84/896988084.db2.gz JUKYLOPPGPPQJP-GOSISDBHSA-N 1 1 402.363 4.356 20 30 HIEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130452 897587061 /nfs/dbraw/zinc/58/70/61/897587061.db2.gz DYSWIMVHNSJPKK-QFIPXVFZSA-N 1 1 415.541 4.171 20 30 HIEDMO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130452 897587071 /nfs/dbraw/zinc/58/70/71/897587071.db2.gz DYSWIMVHNSJPKK-QFIPXVFZSA-N 1 1 415.541 4.171 20 30 HIEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCCOC2)O1 ZINC000482446207 898010524 /nfs/dbraw/zinc/01/05/24/898010524.db2.gz CJKBQJYRDUPJRV-VWLOTQADSA-N 1 1 406.526 4.297 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCc2ccccn2)cc1 ZINC000483064120 898743041 /nfs/dbraw/zinc/74/30/41/898743041.db2.gz TWQXYQUAKZIHIK-UHFFFAOYSA-N 1 1 414.509 4.035 20 30 HIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000483258456 898900837 /nfs/dbraw/zinc/90/08/37/898900837.db2.gz YRHBERYGQNSDBT-INIZCTEOSA-N 1 1 417.200 4.302 20 30 HIEDMO COCCN(C)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000483259369 898901105 /nfs/dbraw/zinc/90/11/05/898901105.db2.gz DMZVWQJKBBENPJ-UHFFFAOYSA-N 1 1 418.516 4.377 20 30 HIEDMO COCCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000483259369 898901110 /nfs/dbraw/zinc/90/11/10/898901110.db2.gz DMZVWQJKBBENPJ-UHFFFAOYSA-N 1 1 418.516 4.377 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000505629189 914329162 /nfs/dbraw/zinc/32/91/62/914329162.db2.gz FHLVXMBEJQPJCP-UHFFFAOYSA-N 1 1 400.482 4.120 20 30 HIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624983 899278205 /nfs/dbraw/zinc/27/82/05/899278205.db2.gz OGZPNSFJMVFDCC-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624983 899278226 /nfs/dbraw/zinc/27/82/26/899278226.db2.gz OGZPNSFJMVFDCC-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000484292102 899856539 /nfs/dbraw/zinc/85/65/39/899856539.db2.gz FRXOFTHDPBLDJR-UHFFFAOYSA-N 1 1 410.484 4.299 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000505788642 914454166 /nfs/dbraw/zinc/45/41/66/914454166.db2.gz BYXPVBPGWBNGLX-IQGLISFBSA-N 1 1 421.541 4.226 20 30 HIEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000485409138 900706410 /nfs/dbraw/zinc/70/64/10/900706410.db2.gz RHWVLEKIKOTCLN-GOSISDBHSA-N 1 1 408.502 4.165 20 30 HIEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000485425806 900723294 /nfs/dbraw/zinc/72/32/94/900723294.db2.gz JQDATRYHBXXRMM-NRFANRHFSA-N 1 1 406.530 4.251 20 30 HIEDMO C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485711451 900960546 /nfs/dbraw/zinc/96/05/46/900960546.db2.gz VMMJFKZIEYJPIY-QGZVFWFLSA-N 1 1 404.333 4.010 20 30 HIEDMO C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485711451 900960548 /nfs/dbraw/zinc/96/05/48/900960548.db2.gz VMMJFKZIEYJPIY-QGZVFWFLSA-N 1 1 404.333 4.010 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1C#N ZINC000505901789 914544133 /nfs/dbraw/zinc/54/41/33/914544133.db2.gz WKFYNCRKPJNUCV-FQEVSTJZSA-N 1 1 420.557 4.431 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](COc3ccccc3)C2)c1C#N ZINC000505901789 914544142 /nfs/dbraw/zinc/54/41/42/914544142.db2.gz WKFYNCRKPJNUCV-FQEVSTJZSA-N 1 1 420.557 4.431 20 30 HIEDMO C=CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486429048 901588801 /nfs/dbraw/zinc/58/88/01/901588801.db2.gz DPKVLQYSRMBNDN-HYBUGGRVSA-N 1 1 402.498 4.250 20 30 HIEDMO C=CCc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc(OC)c1O ZINC000486473927 901634319 /nfs/dbraw/zinc/63/43/19/901634319.db2.gz WSMMDGBQZKZTIC-NTKDMRAZSA-N 1 1 409.530 4.019 20 30 HIEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(Cl)c1 ZINC000486821022 901873853 /nfs/dbraw/zinc/87/38/53/901873853.db2.gz FWXAKLOGIQFMBP-XMSQKQJNSA-N 1 1 405.889 4.210 20 30 HIEDMO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 ZINC000486857786 901903199 /nfs/dbraw/zinc/90/31/99/901903199.db2.gz TZKMARJYGZEABN-JOCHJYFZSA-N 1 1 403.457 4.157 20 30 HIEDMO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487285903 902137112 /nfs/dbraw/zinc/13/71/12/902137112.db2.gz KHKBORQWQZEZJV-NFBKMPQASA-N 1 1 405.542 4.134 20 30 HIEDMO Cc1nc(SCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000505953182 914608763 /nfs/dbraw/zinc/60/87/63/914608763.db2.gz LQRIROLNYBVYTF-OXJNMPFZSA-N 1 1 414.619 4.084 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937326 902467624 /nfs/dbraw/zinc/46/76/24/902467624.db2.gz XJDZCQKZXSCALT-HOTGVXAUSA-N 1 1 419.367 4.439 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982193 914644945 /nfs/dbraw/zinc/64/49/45/914644945.db2.gz QHMCSLIUNWJKHG-QUCCMNQESA-N 1 1 401.432 4.298 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500073 902857095 /nfs/dbraw/zinc/85/70/95/902857095.db2.gz OWQSTAHUCNQAFW-BUXKBTBVSA-N 1 1 406.288 4.456 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489103907 903198141 /nfs/dbraw/zinc/19/81/41/903198141.db2.gz KQGRGKJIVVSMQC-DEOSSOPVSA-N 1 1 414.509 4.273 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489529019 903440035 /nfs/dbraw/zinc/44/00/35/903440035.db2.gz IPKJKEJIGXBVPL-HYBUGGRVSA-N 1 1 404.558 4.390 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289101 903877208 /nfs/dbraw/zinc/87/72/08/903877208.db2.gz PKDKFWRFHBIVIP-IFMALSPDSA-N 1 1 415.509 4.269 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289101 903877213 /nfs/dbraw/zinc/87/72/13/903877213.db2.gz PKDKFWRFHBIVIP-IFMALSPDSA-N 1 1 415.509 4.269 20 30 HIEDMO Cn1cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000490545692 904090947 /nfs/dbraw/zinc/09/09/47/904090947.db2.gz OCUUIOIPRAMIPE-UHFFFAOYSA-N 1 1 415.324 4.260 20 30 HIEDMO Cn1cc(C[N@@H+](C)CCc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491143730 904453246 /nfs/dbraw/zinc/45/32/46/904453246.db2.gz YQOXENQWQMHBPA-UHFFFAOYSA-N 1 1 409.331 4.396 20 30 HIEDMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491144329 904454844 /nfs/dbraw/zinc/45/48/44/904454844.db2.gz ZAIVBGKHPJTBND-UHFFFAOYSA-N 1 1 419.960 4.320 20 30 HIEDMO Cn1cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491144329 904454858 /nfs/dbraw/zinc/45/48/58/904454858.db2.gz ZAIVBGKHPJTBND-UHFFFAOYSA-N 1 1 419.960 4.320 20 30 HIEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491144329 904454864 /nfs/dbraw/zinc/45/48/64/904454864.db2.gz ZAIVBGKHPJTBND-UHFFFAOYSA-N 1 1 419.960 4.320 20 30 HIEDMO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492271683 904826851 /nfs/dbraw/zinc/82/68/51/904826851.db2.gz PSSBYELXRVVDOX-QAPCUYQASA-N 1 1 414.456 4.192 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000492355503 904839233 /nfs/dbraw/zinc/83/92/33/904839233.db2.gz HNAJGAFJSXCAKG-MRXNPFEDSA-N 1 1 414.351 4.018 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000492377376 904840797 /nfs/dbraw/zinc/84/07/97/904840797.db2.gz QXDPZSSFDWWZCV-ZDUSSCGKSA-N 1 1 403.935 4.401 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000492377376 904840798 /nfs/dbraw/zinc/84/07/98/904840798.db2.gz QXDPZSSFDWWZCV-ZDUSSCGKSA-N 1 1 403.935 4.401 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492515642 904863019 /nfs/dbraw/zinc/86/30/19/904863019.db2.gz OZPPJGGYMLEZQR-CQSZACIVSA-N 1 1 415.946 4.164 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000492889804 904940327 /nfs/dbraw/zinc/94/03/27/904940327.db2.gz LGOHVGQKRZIYIM-UHFFFAOYSA-N 1 1 403.295 4.029 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445206 921166594 /nfs/dbraw/zinc/16/65/94/921166594.db2.gz XPVBNZBXVFHJSW-IBGZPJMESA-N 1 1 423.557 4.471 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(F)ccc2OC)cc1OC ZINC000494474141 905754813 /nfs/dbraw/zinc/75/48/13/905754813.db2.gz JRZUUEWFFBYKOT-UHFFFAOYSA-N 1 1 410.283 4.460 20 30 HIEDMO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccc1OC(C)C ZINC000512479046 921188575 /nfs/dbraw/zinc/18/85/75/921188575.db2.gz FPLPAWHWQPIWOI-UHFFFAOYSA-N 1 1 416.525 4.224 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779440 905978829 /nfs/dbraw/zinc/97/88/29/905978829.db2.gz VKVUNBOVHALRNW-IBGZPJMESA-N 1 1 412.578 4.011 20 30 HIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008246 906170040 /nfs/dbraw/zinc/17/00/40/906170040.db2.gz XCHURQNCMYBWKW-MDPIYQRISA-N 1 1 424.589 4.009 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000496220942 906629991 /nfs/dbraw/zinc/62/99/91/906629991.db2.gz CGLRNCMLFWKJBN-UHFFFAOYSA-N 1 1 424.545 4.005 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496785366 906757398 /nfs/dbraw/zinc/75/73/98/906757398.db2.gz HIDAFEYLOFMMQZ-HXUWFJFHSA-N 1 1 421.541 4.121 20 30 HIEDMO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000497499542 906985845 /nfs/dbraw/zinc/98/58/45/906985845.db2.gz YNVKHQIEFVDKGA-RUZDIDTESA-N 1 1 401.485 4.377 20 30 HIEDMO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000497499542 906985876 /nfs/dbraw/zinc/98/58/76/906985876.db2.gz YNVKHQIEFVDKGA-RUZDIDTESA-N 1 1 401.485 4.377 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590489 907070949 /nfs/dbraw/zinc/07/09/49/907070949.db2.gz IIQBIOKZRFUFTP-AWEZNQCLSA-N 1 1 407.411 4.415 20 30 HIEDMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637777 907122496 /nfs/dbraw/zinc/12/24/96/907122496.db2.gz WTVSLTJICRPNBC-HUVFLSCGSA-N 1 1 411.590 4.070 20 30 HIEDMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637777 907122508 /nfs/dbraw/zinc/12/25/08/907122508.db2.gz WTVSLTJICRPNBC-HUVFLSCGSA-N 1 1 411.590 4.070 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498013144 907505153 /nfs/dbraw/zinc/50/51/53/907505153.db2.gz DSRQBDOPCBPKRH-UTKZUKDTSA-N 1 1 417.575 4.004 20 30 HIEDMO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498701921 908127326 /nfs/dbraw/zinc/12/73/26/908127326.db2.gz HUEKCVPXPXHJDZ-AUSIDOKSSA-N 1 1 402.542 4.143 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCCc3ccccc3C2)c1C#N ZINC000498916915 908325444 /nfs/dbraw/zinc/32/54/44/908325444.db2.gz SXYVZVNFQAHUPZ-UHFFFAOYSA-N 1 1 416.525 4.395 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000499562867 908841819 /nfs/dbraw/zinc/84/18/19/908841819.db2.gz PNTKPKXBXXZAPG-IAGOWNOFSA-N 1 1 410.493 4.223 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564869 908841858 /nfs/dbraw/zinc/84/18/58/908841858.db2.gz QHGQDIMRYKIKMG-HSZRJFAPSA-N 1 1 405.542 4.135 20 30 HIEDMO Cc1cc(C[N@H+](CCCC2(C#N)CCOCC2)CC(C)C)nc(N2CCCCC2)n1 ZINC000499601562 908852894 /nfs/dbraw/zinc/85/28/94/908852894.db2.gz YWZUUAGONBOLGE-UHFFFAOYSA-N 1 1 413.610 4.334 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000499608361 908854701 /nfs/dbraw/zinc/85/47/01/908854701.db2.gz RJCPMFIGTGRQFI-OALUTQOASA-N 1 1 406.530 4.278 20 30 HIEDMO COCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Br)s1 ZINC000499733586 908893483 /nfs/dbraw/zinc/89/34/83/908893483.db2.gz KVGBHNLADMHXPT-UHFFFAOYSA-N 1 1 401.370 4.060 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)n2c1 ZINC000513129182 921572452 /nfs/dbraw/zinc/57/24/52/921572452.db2.gz WHQIVBSLCIEIOQ-QGZVFWFLSA-N 1 1 418.888 4.289 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)c(C#N)c1C ZINC000501537294 910646960 /nfs/dbraw/zinc/64/69/60/910646960.db2.gz RRNGUMTYAYXVFU-HNNXBMFYSA-N 1 1 420.332 4.051 20 30 HIEDMO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959774 910945689 /nfs/dbraw/zinc/94/56/89/910945689.db2.gz IJUKSLHTMZXARV-NZQKXSOJSA-N 1 1 421.589 4.030 20 30 HIEDMO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)co2)cc1 ZINC000502167912 911089783 /nfs/dbraw/zinc/08/97/83/911089783.db2.gz MXUXSHKQIDJRDD-UHFFFAOYSA-N 1 1 416.481 4.073 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000513265723 921667647 /nfs/dbraw/zinc/66/76/47/921667647.db2.gz DYICYNNSNBINGE-NRFANRHFSA-N 1 1 415.493 4.125 20 30 HIEDMO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000502631071 911660298 /nfs/dbraw/zinc/66/02/98/911660298.db2.gz AGQBGZIXILPQFA-RHSMWYFYSA-N 1 1 401.532 4.176 20 30 HIEDMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309392 914899108 /nfs/dbraw/zinc/89/91/08/914899108.db2.gz SXYAVKFAFNUJTR-RSXGOPAZSA-N 1 1 400.522 4.466 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1OC ZINC000506495967 915104673 /nfs/dbraw/zinc/10/46/73/915104673.db2.gz PBIVHQAJJLNTNS-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1OC ZINC000506495967 915104687 /nfs/dbraw/zinc/10/46/87/915104687.db2.gz PBIVHQAJJLNTNS-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCN(Cc4cscn4)CC3)c2)c1 ZINC000513375141 921747088 /nfs/dbraw/zinc/74/70/88/921747088.db2.gz HIUVAFZAANYPCO-UHFFFAOYSA-N 1 1 418.566 4.302 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632903 915300974 /nfs/dbraw/zinc/30/09/74/915300974.db2.gz UTGUVJNWLFKDAD-FQEVSTJZSA-N 1 1 410.562 4.348 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506790123 915518916 /nfs/dbraw/zinc/51/89/16/915518916.db2.gz LHJYMMJXKNZLCA-LJQANCHMSA-N 1 1 413.468 4.441 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000506979020 915786480 /nfs/dbraw/zinc/78/64/80/915786480.db2.gz KBDQZUMAZJRWJR-MCIONIFRSA-N 1 1 414.365 4.454 20 30 HIEDMO CC(C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000507788403 916575134 /nfs/dbraw/zinc/57/51/34/916575134.db2.gz MNQMZGGFVBTBDP-DEOSSOPVSA-N 1 1 409.505 4.054 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000507896666 916755551 /nfs/dbraw/zinc/75/55/51/916755551.db2.gz XRTJVHNZHDWBOX-FQEVSTJZSA-N 1 1 401.470 4.164 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000507896666 916755586 /nfs/dbraw/zinc/75/55/86/916755586.db2.gz XRTJVHNZHDWBOX-FQEVSTJZSA-N 1 1 401.470 4.164 20 30 HIEDMO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719645 917483219 /nfs/dbraw/zinc/48/32/19/917483219.db2.gz LGNJJGDOKKDGQC-VXPHMXNRSA-N 1 1 404.558 4.143 20 30 HIEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508800061 917555465 /nfs/dbraw/zinc/55/54/65/917555465.db2.gz DIZBUYQCOWPSOL-IBGZPJMESA-N 1 1 423.586 4.296 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508855506 917607763 /nfs/dbraw/zinc/60/77/63/917607763.db2.gz HOCSUUYJLJZFMO-KRWDZBQOSA-N 1 1 411.550 4.139 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508918222 917675581 /nfs/dbraw/zinc/67/55/81/917675581.db2.gz MDLDGSFFOHNFTP-RBBKRZOGSA-N 1 1 421.589 4.054 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(Cl)cc32)[C@@H]1c1cnn(C)c1 ZINC000509615550 918264340 /nfs/dbraw/zinc/26/43/40/918264340.db2.gz DQRSAGSGYRDJJZ-KSFYIVLOSA-N 1 1 422.964 4.403 20 30 HIEDMO C=CCOc1ccc(C(=O)N(CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000509776727 918388480 /nfs/dbraw/zinc/38/84/80/918388480.db2.gz PEAPRTAENPCLKS-UHFFFAOYSA-N 1 1 408.546 4.179 20 30 HIEDMO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510787644 919253337 /nfs/dbraw/zinc/25/33/37/919253337.db2.gz MFKKFDXQTRMFLG-HKUYNNGSSA-N 1 1 407.514 4.113 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000510990393 919545367 /nfs/dbraw/zinc/54/53/67/919545367.db2.gz BPJXYEOOWWMQLG-UHFFFAOYSA-N 1 1 400.444 4.471 20 30 HIEDMO CC1(c2nc3ccccc3s2)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000511072328 919671505 /nfs/dbraw/zinc/67/15/05/919671505.db2.gz FCWQTUSNAJASLW-KRWDZBQOSA-N 1 1 422.579 4.388 20 30 HIEDMO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000511476780 920085912 /nfs/dbraw/zinc/08/59/12/920085912.db2.gz OBRUGBMNNXHAGD-ROUUACIJSA-N 1 1 419.529 4.052 20 30 HIEDMO C[C@@](CO)([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(Br)cc1 ZINC000511587940 920233753 /nfs/dbraw/zinc/23/37/53/920233753.db2.gz MTEVPBGVFRTMRD-KRWDZBQOSA-N 1 1 424.136 4.081 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670223 920335445 /nfs/dbraw/zinc/33/54/45/920335445.db2.gz GVMAJCJGHNLWFL-ZLNRFVROSA-N 1 1 423.944 4.091 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1Cl ZINC000511781455 920472980 /nfs/dbraw/zinc/47/29/80/920472980.db2.gz NZUFHPMXQPTYCC-SJBKTWHCSA-N 1 1 409.917 4.045 20 30 HIEDMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#N)cc1F ZINC000512280221 921035110 /nfs/dbraw/zinc/03/51/10/921035110.db2.gz OBFYQKQFGWZUGV-KOSHJBKYSA-N 1 1 401.485 4.276 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000515411014 923089308 /nfs/dbraw/zinc/08/93/08/923089308.db2.gz ZCZXFWZCUIREBM-INIZCTEOSA-N 1 1 414.347 4.410 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000516238905 923621391 /nfs/dbraw/zinc/62/13/91/923621391.db2.gz ILDRTWFVUNIWMZ-NRFANRHFSA-N 1 1 416.550 4.456 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435724 924184622 /nfs/dbraw/zinc/18/46/22/924184622.db2.gz QSQYRFRWPULPNR-ZJSXRUAMSA-N 1 1 416.481 4.113 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254923 927112175 /nfs/dbraw/zinc/11/21/75/927112175.db2.gz BHLPMFYZQHKMCN-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254923 927112191 /nfs/dbraw/zinc/11/21/91/927112191.db2.gz BHLPMFYZQHKMCN-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518838869 927537472 /nfs/dbraw/zinc/53/74/72/927537472.db2.gz VAWSGVFTHKHLKE-LJQANCHMSA-N 1 1 418.541 4.278 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518838869 927537484 /nfs/dbraw/zinc/53/74/84/927537484.db2.gz VAWSGVFTHKHLKE-LJQANCHMSA-N 1 1 418.541 4.278 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863321 927570328 /nfs/dbraw/zinc/57/03/28/927570328.db2.gz CWRAEPIKLLGZGB-FQEVSTJZSA-N 1 1 421.589 4.452 20 30 HIEDMO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000519570020 928019672 /nfs/dbraw/zinc/01/96/72/928019672.db2.gz DMNGAMRWYQJLKT-SFHVURJKSA-N 1 1 415.497 4.388 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000520785373 928817187 /nfs/dbraw/zinc/81/71/87/928817187.db2.gz OATZXDUWWLKINE-JOCHJYFZSA-N 1 1 409.505 4.178 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000520899429 928866612 /nfs/dbraw/zinc/86/66/12/928866612.db2.gz ZEKCOFKKTOAELB-RBBKRZOGSA-N 1 1 418.541 4.331 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000521121435 929006953 /nfs/dbraw/zinc/00/69/53/929006953.db2.gz IZBFSJBBZWVNLM-GHTZIAJQSA-N 1 1 408.502 4.128 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000521352737 929172896 /nfs/dbraw/zinc/17/28/96/929172896.db2.gz MSUYUIDWZJOPMV-GOSISDBHSA-N 1 1 423.369 4.351 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808078 929466791 /nfs/dbraw/zinc/46/67/91/929466791.db2.gz BTZITKLNPOILOD-KRWDZBQOSA-N 1 1 416.485 4.075 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808078 929466797 /nfs/dbraw/zinc/46/67/97/929466797.db2.gz BTZITKLNPOILOD-KRWDZBQOSA-N 1 1 416.485 4.075 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+](C)C ZINC000524565481 929691829 /nfs/dbraw/zinc/69/18/29/929691829.db2.gz VOYVFPKGDYZFAH-LPHOPBHVSA-N 1 1 412.559 4.371 20 30 HIEDMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000524945964 929908513 /nfs/dbraw/zinc/90/85/13/929908513.db2.gz HRGGJYDVYUEJHV-XDNSSPFJSA-N 1 1 417.619 4.391 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC000524961530 929926187 /nfs/dbraw/zinc/92/61/87/929926187.db2.gz SURUNMBUDKVRAO-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC000524961530 929926201 /nfs/dbraw/zinc/92/62/01/929926201.db2.gz SURUNMBUDKVRAO-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525124133 930049932 /nfs/dbraw/zinc/04/99/32/930049932.db2.gz YRIWZFQJKXFOAX-RZUBCFFCSA-N 1 1 405.542 4.456 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000525761335 930435237 /nfs/dbraw/zinc/43/52/37/930435237.db2.gz XNTKSMWCRBSYDU-NRFANRHFSA-N 1 1 404.558 4.097 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000530356732 930692409 /nfs/dbraw/zinc/69/24/09/930692409.db2.gz CAMPXHGENVMPCG-XZOQPEGZSA-N 1 1 418.541 4.068 20 30 HIEDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642823 931137220 /nfs/dbraw/zinc/13/72/20/931137220.db2.gz NJZGGLWMTFOMCJ-ZWKOTPCHSA-N 1 1 409.530 4.226 20 30 HIEDMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000531646454 931137860 /nfs/dbraw/zinc/13/78/60/931137860.db2.gz SEMDCWHYJMTGAG-QHCPKHFHSA-N 1 1 421.541 4.068 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000531840947 931215721 /nfs/dbraw/zinc/21/57/21/931215721.db2.gz IGPDDSMDKCHEIH-UHFFFAOYSA-N 1 1 406.452 4.106 20 30 HIEDMO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)c2)cc1 ZINC000532181713 931338469 /nfs/dbraw/zinc/33/84/69/931338469.db2.gz TXOFQZOQTWZNEM-DHIUTWEWSA-N 1 1 420.513 4.115 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)c1 ZINC000532433624 931431945 /nfs/dbraw/zinc/43/19/45/931431945.db2.gz WQPMBAGVOHYULK-PKTZIBPZSA-N 1 1 420.513 4.115 20 30 HIEDMO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000532538976 931515029 /nfs/dbraw/zinc/51/50/29/931515029.db2.gz VLTPEYSHOGBUJS-VIFPVBQESA-N 1 1 415.309 4.499 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000532920731 931694100 /nfs/dbraw/zinc/69/41/00/931694100.db2.gz PXBJCVMNGCMVLW-UHFFFAOYSA-N 1 1 419.529 4.252 20 30 HIEDMO C[C@H](C#N)C[N@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138854 931779955 /nfs/dbraw/zinc/77/99/55/931779955.db2.gz YFXQCZCPCPQNFW-ZHRRBRCNSA-N 1 1 400.469 4.056 20 30 HIEDMO C[C@H](C#N)C[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138854 931779960 /nfs/dbraw/zinc/77/99/60/931779960.db2.gz YFXQCZCPCPQNFW-ZHRRBRCNSA-N 1 1 400.469 4.056 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533254954 931820392 /nfs/dbraw/zinc/82/03/92/931820392.db2.gz QOCMFXQCNBITHQ-HSZRJFAPSA-N 1 1 418.566 4.379 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533419561 931862356 /nfs/dbraw/zinc/86/23/56/931862356.db2.gz HHHMWHFKKWQYJX-IAGOWNOFSA-N 1 1 403.592 4.354 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533432128 931866952 /nfs/dbraw/zinc/86/69/52/931866952.db2.gz WATJMBPVKCNSQK-MAODMQOUSA-N 1 1 415.603 4.353 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000533480469 931879957 /nfs/dbraw/zinc/87/99/57/931879957.db2.gz FWQIGSFCQAFUKK-UHFFFAOYSA-N 1 1 413.525 4.216 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000533480469 931879959 /nfs/dbraw/zinc/87/99/59/931879959.db2.gz FWQIGSFCQAFUKK-UHFFFAOYSA-N 1 1 413.525 4.216 20 30 HIEDMO CC[N@@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533531995 931896198 /nfs/dbraw/zinc/89/61/98/931896198.db2.gz QMDJIPIBNYORHA-UHFFFAOYSA-N 1 1 407.562 4.150 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000533810251 932042102 /nfs/dbraw/zinc/04/21/02/932042102.db2.gz JCCSCMCDULWJLB-UHFFFAOYSA-N 1 1 400.454 4.092 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534195244 932325534 /nfs/dbraw/zinc/32/55/34/932325534.db2.gz DTHKZCSPYYOQNZ-SFTDATJTSA-N 1 1 417.985 4.013 20 30 HIEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000534219192 932339019 /nfs/dbraw/zinc/33/90/19/932339019.db2.gz RKWUXOILRGAQTC-HSZRJFAPSA-N 1 1 415.541 4.442 20 30 HIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000534219192 932339027 /nfs/dbraw/zinc/33/90/27/932339027.db2.gz RKWUXOILRGAQTC-HSZRJFAPSA-N 1 1 415.541 4.442 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c2ccccc21 ZINC000534579833 932576944 /nfs/dbraw/zinc/57/69/44/932576944.db2.gz CGEPZJKVKWSPKX-IBGZPJMESA-N 1 1 411.509 4.252 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757090 932734127 /nfs/dbraw/zinc/73/41/27/932734127.db2.gz UDYZEZACAXYKQI-ILBGXUMGSA-N 1 1 411.505 4.312 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000535316268 933068165 /nfs/dbraw/zinc/06/81/65/933068165.db2.gz WGXFVGZNDYZVLI-NRFANRHFSA-N 1 1 415.541 4.064 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535549499 933237910 /nfs/dbraw/zinc/23/79/10/933237910.db2.gz UGORFRJZAOWFKJ-FGZHOGPDSA-N 1 1 408.933 4.355 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535549499 933237913 /nfs/dbraw/zinc/23/79/13/933237913.db2.gz UGORFRJZAOWFKJ-FGZHOGPDSA-N 1 1 408.933 4.355 20 30 HIEDMO C=CCn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562905048 945147123 /nfs/dbraw/zinc/14/71/23/945147123.db2.gz HOYGPMCTMXLNMR-UHFFFAOYSA-N 1 1 407.484 4.319 20 30 HIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628885 938340150 /nfs/dbraw/zinc/34/01/50/938340150.db2.gz JHARCXPHBJPLOD-INIZCTEOSA-N 1 1 419.920 4.455 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537857162 938391827 /nfs/dbraw/zinc/39/18/27/938391827.db2.gz BHYBQIVIDBXOSQ-QGZVFWFLSA-N 1 1 401.514 4.134 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)c1C#N ZINC000538124807 938511065 /nfs/dbraw/zinc/51/10/65/938511065.db2.gz OYXMJQQVYYBKGR-QGZVFWFLSA-N 1 1 401.466 4.170 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)c1C#N ZINC000538227765 938565739 /nfs/dbraw/zinc/56/57/39/938565739.db2.gz GXOPUCPCMCQFKP-CQSZACIVSA-N 1 1 412.440 4.185 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600923 938659061 /nfs/dbraw/zinc/65/90/61/938659061.db2.gz LSLZUSOMYLIHPJ-DENIHFKCSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600923 938659062 /nfs/dbraw/zinc/65/90/62/938659062.db2.gz LSLZUSOMYLIHPJ-DENIHFKCSA-N 1 1 415.896 4.070 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718431 938689692 /nfs/dbraw/zinc/68/96/92/938689692.db2.gz RNMPXBVSKINJSN-HSZRJFAPSA-N 1 1 419.525 4.297 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718431 938689693 /nfs/dbraw/zinc/68/96/93/938689693.db2.gz RNMPXBVSKINJSN-HSZRJFAPSA-N 1 1 419.525 4.297 20 30 HIEDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000539278784 938832529 /nfs/dbraw/zinc/83/25/29/938832529.db2.gz HDWOIAIHJLWFOB-JSGCOSHPSA-N 1 1 400.338 4.210 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000539287176 938833887 /nfs/dbraw/zinc/83/38/87/938833887.db2.gz MTLGJSOZZLNKMS-GJZGRUSLSA-N 1 1 406.523 4.158 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)CC(F)(F)F ZINC000539849520 938957183 /nfs/dbraw/zinc/95/71/83/938957183.db2.gz BHOWIWMIUCCLQV-SFHVURJKSA-N 1 1 419.495 4.170 20 30 HIEDMO C[C@H](CCO)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540057133 939053415 /nfs/dbraw/zinc/05/34/15/939053415.db2.gz YEBVTGPKKJNUKQ-QGZVFWFLSA-N 1 1 411.571 4.100 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(OC(F)F)c1 ZINC000540057940 939053423 /nfs/dbraw/zinc/05/34/23/939053423.db2.gz XARNKORCFGMXGM-HNNXBMFYSA-N 1 1 413.346 4.227 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(OC(F)F)c1 ZINC000540057940 939053427 /nfs/dbraw/zinc/05/34/27/939053427.db2.gz XARNKORCFGMXGM-HNNXBMFYSA-N 1 1 413.346 4.227 20 30 HIEDMO Cc1sc2nc([C@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540298502 939186580 /nfs/dbraw/zinc/18/65/80/939186580.db2.gz PUKPLPQOMWXLBR-INIZCTEOSA-N 1 1 420.586 4.031 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c(C#N)c1C ZINC000540365094 939211719 /nfs/dbraw/zinc/21/17/19/939211719.db2.gz GDCDVBMHOXJOCM-FQEVSTJZSA-N 1 1 407.445 4.256 20 30 HIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1cc(F)ccc1F ZINC000540457034 939258461 /nfs/dbraw/zinc/25/84/61/939258461.db2.gz UPXYOSGAEJLNAM-KXBFYZLASA-N 1 1 401.457 4.349 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607577 939317983 /nfs/dbraw/zinc/31/79/83/939317983.db2.gz DVFWLSMMVDXZEC-VWLOTQADSA-N 1 1 400.501 4.436 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1=O ZINC000540809865 939379780 /nfs/dbraw/zinc/37/97/80/939379780.db2.gz UVKHHLZAZOCBGH-RBUKOAKNSA-N 1 1 403.295 4.054 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159259 939480967 /nfs/dbraw/zinc/48/09/67/939480967.db2.gz WVQNRGZBASBRAB-NTUVXCKYSA-N 1 1 402.542 4.412 20 30 HIEDMO COc1cc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000541316817 939490650 /nfs/dbraw/zinc/49/06/50/939490650.db2.gz IPQIVRJCMPFCEU-UHFFFAOYSA-N 1 1 421.541 4.025 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000541442122 939516867 /nfs/dbraw/zinc/51/68/67/939516867.db2.gz MFZUWXNPBJSUOH-UHFFFAOYSA-N 1 1 403.461 4.066 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccco1 ZINC000541597800 939563465 /nfs/dbraw/zinc/56/34/65/939563465.db2.gz LDFVEPIWCUVILR-FQEVSTJZSA-N 1 1 424.476 4.004 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541921900 939654692 /nfs/dbraw/zinc/65/46/92/939654692.db2.gz HTYGTFBWZPFOBU-VQTJNVASSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541921900 939654694 /nfs/dbraw/zinc/65/46/94/939654694.db2.gz HTYGTFBWZPFOBU-VQTJNVASSA-N 1 1 406.933 4.338 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529690 939837883 /nfs/dbraw/zinc/83/78/83/939837883.db2.gz PCDCPUCGJSYAHB-RTBURBONSA-N 1 1 416.997 4.138 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)Cn3c[nH+]c4c3CCCC4)c2)cc1 ZINC000542706669 939855613 /nfs/dbraw/zinc/85/56/13/939855613.db2.gz IOSZGXOGHHFSPB-UHFFFAOYSA-N 1 1 400.482 4.046 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sc2c1CCCC2 ZINC000543253909 940009172 /nfs/dbraw/zinc/00/91/72/940009172.db2.gz UXBXFWMZVMWCPU-UHFFFAOYSA-N 1 1 404.539 4.363 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363320 940042617 /nfs/dbraw/zinc/04/26/17/940042617.db2.gz IOBDOUDPZPQAQY-DVECYGJZSA-N 1 1 402.542 4.143 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)c3cnn(C)c3)sc2C1 ZINC000543505515 940088491 /nfs/dbraw/zinc/08/84/91/940088491.db2.gz STTMTVIWDLXARW-ZBFHGGJFSA-N 1 1 413.591 4.184 20 30 HIEDMO COc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)ccc1OCc1cccc(C#N)c1 ZINC000543514946 940091839 /nfs/dbraw/zinc/09/18/39/940091839.db2.gz FSYQJZRPSCSCKO-KRWDZBQOSA-N 1 1 413.481 4.039 20 30 HIEDMO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000543804077 940191957 /nfs/dbraw/zinc/19/19/57/940191957.db2.gz XYKXRVTYCPBJBQ-OAHLLOKOSA-N 1 1 402.951 4.055 20 30 HIEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025330 940303101 /nfs/dbraw/zinc/30/31/01/940303101.db2.gz KKSKGZQYMAASJT-PRHODGIISA-N 1 1 422.291 4.396 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608618 940489812 /nfs/dbraw/zinc/48/98/12/940489812.db2.gz YXPJWMJDKMXIBH-CQSZACIVSA-N 1 1 416.381 4.473 20 30 HIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000545873049 940646813 /nfs/dbraw/zinc/64/68/13/940646813.db2.gz USBPOSMHRZNBRY-OAHLLOKOSA-N 1 1 419.884 4.287 20 30 HIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc(F)c(F)c1 ZINC000547512809 941066532 /nfs/dbraw/zinc/06/65/32/941066532.db2.gz RZDMEIBEKKPBOW-LJQANCHMSA-N 1 1 420.257 4.142 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483240 941108142 /nfs/dbraw/zinc/10/81/42/941108142.db2.gz JAPGHKCOXZJLGT-PMOQBDJRSA-N 1 1 406.549 4.166 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548851206 941126548 /nfs/dbraw/zinc/12/65/48/941126548.db2.gz RNKRAPNKWCXMQW-UHFFFAOYSA-N 1 1 404.562 4.236 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC2CCC2)c(OC)c1 ZINC000548931644 941130273 /nfs/dbraw/zinc/13/02/73/941130273.db2.gz VGTSQGDOAKLENC-UHFFFAOYSA-N 1 1 411.502 4.026 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC2CCC2)c(OC)c1 ZINC000548931644 941130274 /nfs/dbraw/zinc/13/02/74/941130274.db2.gz VGTSQGDOAKLENC-UHFFFAOYSA-N 1 1 411.502 4.026 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549249611 941174098 /nfs/dbraw/zinc/17/40/98/941174098.db2.gz GHHNZPNMBPBVHU-GMAHTHKFSA-N 1 1 416.573 4.340 20 30 HIEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549273192 941175914 /nfs/dbraw/zinc/17/59/14/941175914.db2.gz VLTFWQMGNGWHTI-UGKGYDQZSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549291036 941177529 /nfs/dbraw/zinc/17/75/29/941177529.db2.gz AIWWULOILFATSA-SFHVURJKSA-N 1 1 417.985 4.255 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000549668268 941203754 /nfs/dbraw/zinc/20/37/54/941203754.db2.gz SJFIBMAKBFWBEG-SIKLNZKXSA-N 1 1 415.626 4.290 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1OC ZINC000549849493 941214579 /nfs/dbraw/zinc/21/45/79/941214579.db2.gz ZOMZVCXTRUZOEL-UHFFFAOYSA-N 1 1 404.514 4.395 20 30 HIEDMO C=CCOc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262692 941305397 /nfs/dbraw/zinc/30/53/97/941305397.db2.gz OBLCDGMHEGTXMZ-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262692 941305399 /nfs/dbraw/zinc/30/53/99/941305399.db2.gz OBLCDGMHEGTXMZ-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000551714474 941531289 /nfs/dbraw/zinc/53/12/89/941531289.db2.gz XLEKUVCDKIUXSO-GFCCVEGCSA-N 1 1 422.291 4.319 20 30 HIEDMO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000551714474 941531292 /nfs/dbraw/zinc/53/12/92/941531292.db2.gz XLEKUVCDKIUXSO-GFCCVEGCSA-N 1 1 422.291 4.319 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555237834 942440365 /nfs/dbraw/zinc/44/03/65/942440365.db2.gz QUSJREQMTRHMMT-XSDIEEQYSA-N 1 1 401.599 4.043 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555237831 942440677 /nfs/dbraw/zinc/44/06/77/942440677.db2.gz QUSJREQMTRHMMT-DOIPELPJSA-N 1 1 401.599 4.043 20 30 HIEDMO C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](c2ccccc2)C1 ZINC000555417533 942522246 /nfs/dbraw/zinc/52/22/46/942522246.db2.gz XRMCPLYKLUTTLB-NRFANRHFSA-N 1 1 417.538 4.126 20 30 HIEDMO C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](c2ccccc2)C1 ZINC000555417533 942522253 /nfs/dbraw/zinc/52/22/53/942522253.db2.gz XRMCPLYKLUTTLB-NRFANRHFSA-N 1 1 417.538 4.126 20 30 HIEDMO COc1cc2c(cc1Cl)C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000555741955 942717800 /nfs/dbraw/zinc/71/78/00/942717800.db2.gz GZIAGNCSSJHZAO-UHFFFAOYSA-N 1 1 415.946 4.157 20 30 HIEDMO COc1cc2c(cc1Cl)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000555741955 942717818 /nfs/dbraw/zinc/71/78/18/942717818.db2.gz GZIAGNCSSJHZAO-UHFFFAOYSA-N 1 1 415.946 4.157 20 30 HIEDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920520 942966302 /nfs/dbraw/zinc/96/63/02/942966302.db2.gz MUQPDHGYUOMLJT-URXFXBBRSA-N 1 1 419.544 4.488 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976251 942986253 /nfs/dbraw/zinc/98/62/53/942986253.db2.gz JTNVDWZUHMNYQI-IFMALSPDSA-N 1 1 417.887 4.373 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976251 942986258 /nfs/dbraw/zinc/98/62/58/942986258.db2.gz JTNVDWZUHMNYQI-IFMALSPDSA-N 1 1 417.887 4.373 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000557376257 943092685 /nfs/dbraw/zinc/09/26/85/943092685.db2.gz GRPLCICTFVYJFF-QFIPXVFZSA-N 1 1 422.573 4.245 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)Nc3cc[nH+]c(N4CCc5ccccc5C4)c3)on2)c1 ZINC000557483670 943160256 /nfs/dbraw/zinc/16/02/56/943160256.db2.gz QRWGCWYDGILQAQ-UHFFFAOYSA-N 1 1 421.460 4.423 20 30 HIEDMO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC000557570560 943214584 /nfs/dbraw/zinc/21/45/84/943214584.db2.gz OCXZBLQIGQMGGD-QFIPXVFZSA-N 1 1 403.917 4.222 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1C ZINC000558118993 943385461 /nfs/dbraw/zinc/38/54/61/943385461.db2.gz VOGRRXBFMSZCLF-UHFFFAOYSA-N 1 1 423.532 4.370 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476059 943570095 /nfs/dbraw/zinc/57/00/95/943570095.db2.gz JHGPETGRMIYNJU-FYINFDKHSA-N 1 1 413.587 4.107 20 30 HIEDMO C=CCc1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000560756584 944321701 /nfs/dbraw/zinc/32/17/01/944321701.db2.gz KZQDNUKREUPVDA-SANMLTNESA-N 1 1 420.553 4.171 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000560763181 944324733 /nfs/dbraw/zinc/32/47/33/944324733.db2.gz XMJWBFAHGQNYBV-AREMUKBSSA-N 1 1 417.553 4.232 20 30 HIEDMO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000561057466 944419971 /nfs/dbraw/zinc/41/99/71/944419971.db2.gz SVBVLHHIGHUYCW-QZTJIDSGSA-N 1 1 416.997 4.055 20 30 HIEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1Cl ZINC000561910024 944851583 /nfs/dbraw/zinc/85/15/83/944851583.db2.gz HSULHNLMZKBHGU-NRFANRHFSA-N 1 1 411.933 4.436 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885394 /nfs/dbraw/zinc/88/53/94/944885394.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000561983075 944885403 /nfs/dbraw/zinc/88/54/03/944885403.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000561983075 944885411 /nfs/dbraw/zinc/88/54/11/944885411.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000562187002 945010208 /nfs/dbraw/zinc/01/02/08/945010208.db2.gz QNJGUZUXCBYRSD-QHCPKHFHSA-N 1 1 407.583 4.210 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000564412531 945564678 /nfs/dbraw/zinc/56/46/78/945564678.db2.gz FEQYCDZFQLDYQS-OAQYLSRUSA-N 1 1 420.557 4.026 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565332452 945813295 /nfs/dbraw/zinc/81/32/95/945813295.db2.gz QSEZDRWBCPIKOR-UNMCSNQZSA-N 1 1 419.573 4.332 20 30 HIEDMO N#Cc1ccc(N2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)c(F)c1 ZINC000568435853 946544467 /nfs/dbraw/zinc/54/44/67/946544467.db2.gz KOZNRQWEJSNMJY-UHFFFAOYSA-N 1 1 411.278 4.335 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000568575737 946615874 /nfs/dbraw/zinc/61/58/74/946615874.db2.gz DWIJALXZNGXZQZ-MRXNPFEDSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCC2(CCOCC2)C1 ZINC000568575737 946615897 /nfs/dbraw/zinc/61/58/97/946615897.db2.gz DWIJALXZNGXZQZ-MRXNPFEDSA-N 1 1 401.576 4.108 20 30 HIEDMO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000568701973 946667956 /nfs/dbraw/zinc/66/79/56/946667956.db2.gz XGDFIIIHOZVTJI-HSZRJFAPSA-N 1 1 403.482 4.353 20 30 HIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112978 946817809 /nfs/dbraw/zinc/81/78/09/946817809.db2.gz VNGQCLYKXRPXIG-OAQYLSRUSA-N 1 1 403.534 4.316 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569884031 947033158 /nfs/dbraw/zinc/03/31/58/947033158.db2.gz JSUWQXJPSWGHEQ-AWEZNQCLSA-N 1 1 406.313 4.341 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569884031 947033169 /nfs/dbraw/zinc/03/31/69/947033169.db2.gz JSUWQXJPSWGHEQ-AWEZNQCLSA-N 1 1 406.313 4.341 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000569890775 947037884 /nfs/dbraw/zinc/03/78/84/947037884.db2.gz QCEQNDGRKIFGQG-IBGZPJMESA-N 1 1 405.546 4.289 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000571146390 947528154 /nfs/dbraw/zinc/52/81/54/947528154.db2.gz OGYUQXQBGPDGIW-HXUWFJFHSA-N 1 1 408.594 4.397 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000571148962 947528780 /nfs/dbraw/zinc/52/87/80/947528780.db2.gz JJSFIIQQLVTAIY-UHFFFAOYSA-N 1 1 418.516 4.494 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000571209631 947548017 /nfs/dbraw/zinc/54/80/17/947548017.db2.gz FZLWSQUNRKMZCI-UHFFFAOYSA-N 1 1 420.536 4.111 20 30 HIEDMO O=C(C[NH2+][C@@H](CO)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000571554476 947699285 /nfs/dbraw/zinc/69/92/85/947699285.db2.gz WYRSLEOMDNEGNY-HNNXBMFYSA-N 1 1 424.316 4.125 20 30 HIEDMO Cc1sc(C2([NH2+]CC(=O)N[C@](C)(C#N)C3CC3)CCC2)nc1-c1ccccc1F ZINC000572063463 947837357 /nfs/dbraw/zinc/83/73/57/947837357.db2.gz LMRNYFPOHGRPOO-OAQYLSRUSA-N 1 1 412.534 4.035 20 30 HIEDMO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000572325936 947884841 /nfs/dbraw/zinc/88/48/41/947884841.db2.gz YHYSXBZWNUVFGP-HJNYFJLDSA-N 1 1 423.605 4.093 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573046647 948069807 /nfs/dbraw/zinc/06/98/07/948069807.db2.gz FVYZWDYETITASD-GHTZIAJQSA-N 1 1 406.530 4.474 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000573770669 948296999 /nfs/dbraw/zinc/29/69/99/948296999.db2.gz SBFLHBCESAPOMB-JOCHJYFZSA-N 1 1 408.546 4.179 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000573770669 948297009 /nfs/dbraw/zinc/29/70/09/948297009.db2.gz SBFLHBCESAPOMB-JOCHJYFZSA-N 1 1 408.546 4.179 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2)c1cccc(Cl)c1 ZINC000574962612 948565674 /nfs/dbraw/zinc/56/56/74/948565674.db2.gz OLJKHHDZFGKWMS-QHCPKHFHSA-N 1 1 409.917 4.056 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2)c1cccc(Cl)c1 ZINC000574962612 948565683 /nfs/dbraw/zinc/56/56/83/948565683.db2.gz OLJKHHDZFGKWMS-QHCPKHFHSA-N 1 1 409.917 4.056 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000575839405 948734055 /nfs/dbraw/zinc/73/40/55/948734055.db2.gz GQDGQNYMHGJQCV-SFHVURJKSA-N 1 1 413.541 4.198 20 30 HIEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628526 719080349 /nfs/dbraw/zinc/08/03/49/719080349.db2.gz SGSKYSGJJFCYMS-LPHOPBHVSA-N 1 1 402.876 4.252 20 30 HIEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164646285 719307327 /nfs/dbraw/zinc/30/73/27/719307327.db2.gz DIRMXOZUMGXZOD-UHFFFAOYSA-N 1 1 418.520 4.161 20 30 HIEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164651338 719315458 /nfs/dbraw/zinc/31/54/58/719315458.db2.gz JFUGMVPCLHATDN-UHFFFAOYSA-N 1 1 406.559 4.083 20 30 HIEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2CC ZINC001164697175 719822459 /nfs/dbraw/zinc/82/24/59/719822459.db2.gz AMXWJQPAMCBMEQ-CVDCTZTESA-N 1 1 416.997 4.257 20 30 HIEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2CC ZINC001164697174 719822603 /nfs/dbraw/zinc/82/26/03/719822603.db2.gz AMXWJQPAMCBMEQ-AUSIDOKSSA-N 1 1 416.997 4.257 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1C#N)[C@H]2C ZINC001164860418 720998533 /nfs/dbraw/zinc/99/85/33/720998533.db2.gz OAMZYIFQCAEECS-HNNXBMFYSA-N 1 1 408.937 4.378 20 30 HIEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904746 721563416 /nfs/dbraw/zinc/56/34/16/721563416.db2.gz FLIPNTITNFIPSL-UYAOXDASSA-N 1 1 422.891 4.241 20 30 HIEDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164904737 721585440 /nfs/dbraw/zinc/58/54/40/721585440.db2.gz FYTBKOUKRILZER-HXUWFJFHSA-N 1 1 417.891 4.048 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908488 721586155 /nfs/dbraw/zinc/58/61/55/721586155.db2.gz ZLBMNJWSQLFKQI-QFIPXVFZSA-N 1 1 411.500 4.209 20 30 HIEDMO Cc1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164909989 721745235 /nfs/dbraw/zinc/74/52/35/721745235.db2.gz WUODFIZYCSWOQR-UHFFFAOYSA-N 1 1 407.905 4.098 20 30 HIEDMO Cc1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164909989 721745238 /nfs/dbraw/zinc/74/52/38/721745238.db2.gz WUODFIZYCSWOQR-UHFFFAOYSA-N 1 1 407.905 4.098 20 30 HIEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)c(C#N)cc4Cl)CC3)C2)cc1 ZINC001164941838 721933253 /nfs/dbraw/zinc/93/32/53/721933253.db2.gz JXRKPGWCNUZFSL-UHFFFAOYSA-N 1 1 410.949 4.095 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000436043520 861333303 /nfs/dbraw/zinc/33/33/03/861333303.db2.gz SCSWWHRDVUKEMF-OAQYLSRUSA-N 1 1 420.944 4.442 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000436067357 861350047 /nfs/dbraw/zinc/35/00/47/861350047.db2.gz QKKXWBQBMIQKSI-UHFFFAOYSA-N 1 1 414.509 4.030 20 30 HIEDMO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5ccc(C#N)cc5)CC4)c23)C1 ZINC000007981196 845458010 /nfs/dbraw/zinc/45/80/10/845458010.db2.gz UTCUGPMVUBOJLC-INIZCTEOSA-N 1 1 403.555 4.010 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311671 845512182 /nfs/dbraw/zinc/51/21/82/845512182.db2.gz OWXMOKDNDJSMJJ-VWLOTQADSA-N 1 1 415.541 4.026 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311671 845512185 /nfs/dbraw/zinc/51/21/85/845512185.db2.gz OWXMOKDNDJSMJJ-VWLOTQADSA-N 1 1 415.541 4.026 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1C#N ZINC000010340382 845648056 /nfs/dbraw/zinc/64/80/56/845648056.db2.gz IXARNJBDYQJBHD-QFIPXVFZSA-N 1 1 402.498 4.394 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c1C#N ZINC000010340382 845648060 /nfs/dbraw/zinc/64/80/60/845648060.db2.gz IXARNJBDYQJBHD-QFIPXVFZSA-N 1 1 402.498 4.394 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC000010707713 845695205 /nfs/dbraw/zinc/69/52/05/845695205.db2.gz SOZQVHJBXYQCLC-UHFFFAOYSA-N 1 1 423.607 4.385 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC000010707713 845695210 /nfs/dbraw/zinc/69/52/10/845695210.db2.gz SOZQVHJBXYQCLC-UHFFFAOYSA-N 1 1 423.607 4.385 20 30 HIEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014703393 845971307 /nfs/dbraw/zinc/97/13/07/845971307.db2.gz LOYPJFPVDBUWGD-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)cc1 ZINC000015143930 846013385 /nfs/dbraw/zinc/01/33/85/846013385.db2.gz HHXCNOMSSBZXMT-UHFFFAOYSA-N 1 1 420.488 4.184 20 30 HIEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)cc1 ZINC000015143930 846013388 /nfs/dbraw/zinc/01/33/88/846013388.db2.gz HHXCNOMSSBZXMT-UHFFFAOYSA-N 1 1 420.488 4.184 20 30 HIEDMO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000015397282 846044208 /nfs/dbraw/zinc/04/42/08/846044208.db2.gz WJQMHGDEVIQVJK-UHFFFAOYSA-N 1 1 420.351 4.201 20 30 HIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406137 846438995 /nfs/dbraw/zinc/43/89/95/846438995.db2.gz QMSZXSXTWCMYEL-FQEVSTJZSA-N 1 1 404.558 4.217 20 30 HIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028275700 847402009 /nfs/dbraw/zinc/40/20/09/847402009.db2.gz BRRLJWBXRHNZFW-AWEZNQCLSA-N 1 1 410.386 4.144 20 30 HIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028275700 847402011 /nfs/dbraw/zinc/40/20/11/847402011.db2.gz BRRLJWBXRHNZFW-AWEZNQCLSA-N 1 1 410.386 4.144 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000028885095 847471706 /nfs/dbraw/zinc/47/17/06/847471706.db2.gz KTJXTKTXIVZBRF-UHFFFAOYSA-N 1 1 412.740 4.496 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000029870045 847637715 /nfs/dbraw/zinc/63/77/15/847637715.db2.gz XKEQGEPAOMRKAG-LJQANCHMSA-N 1 1 410.543 4.103 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046129828 848787875 /nfs/dbraw/zinc/78/78/75/848787875.db2.gz WRVXXPGRBCNJOU-BGYRXZFFSA-N 1 1 404.558 4.378 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC000047257331 849015401 /nfs/dbraw/zinc/01/54/01/849015401.db2.gz PDBFXZXQEVLDLY-UHFFFAOYSA-N 1 1 400.482 4.166 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N(CCC#N)c4ccccc4)CC3)c2c1 ZINC000047257295 849016322 /nfs/dbraw/zinc/01/63/22/849016322.db2.gz WQSLOOWFIUURLW-UHFFFAOYSA-N 1 1 414.509 4.212 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N(CCC#N)c4ccccc4)CC3)c2c1 ZINC000047257295 849016325 /nfs/dbraw/zinc/01/63/25/849016325.db2.gz WQSLOOWFIUURLW-UHFFFAOYSA-N 1 1 414.509 4.212 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000047274103 849018463 /nfs/dbraw/zinc/01/84/63/849018463.db2.gz LUJUMCXPEHBISJ-UHFFFAOYSA-N 1 1 402.473 4.343 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000047274103 849018467 /nfs/dbraw/zinc/01/84/67/849018467.db2.gz LUJUMCXPEHBISJ-UHFFFAOYSA-N 1 1 402.473 4.343 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000048078760 849160305 /nfs/dbraw/zinc/16/03/05/849160305.db2.gz QAEHKZQXWTZFFW-UHFFFAOYSA-N 1 1 412.456 4.083 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000052212819 849560501 /nfs/dbraw/zinc/56/05/01/849560501.db2.gz XQKHWSLALQMIQU-QFIPXVFZSA-N 1 1 408.546 4.097 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212822 849561739 /nfs/dbraw/zinc/56/17/39/849561739.db2.gz XQKHWSLALQMIQU-JOCHJYFZSA-N 1 1 408.546 4.097 20 30 HIEDMO C[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1cccc(C#N)c1 ZINC000052580351 849597251 /nfs/dbraw/zinc/59/72/51/849597251.db2.gz KKSOMJPXGLQZKO-XMMPIXPASA-N 1 1 401.535 4.226 20 30 HIEDMO C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1cccc(C#N)c1 ZINC000052580351 849597256 /nfs/dbraw/zinc/59/72/56/849597256.db2.gz KKSOMJPXGLQZKO-XMMPIXPASA-N 1 1 401.535 4.226 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801192 849628665 /nfs/dbraw/zinc/62/86/65/849628665.db2.gz BBUQTXXIXSHREX-INIZCTEOSA-N 1 1 416.447 4.116 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801192 849628669 /nfs/dbraw/zinc/62/86/69/849628669.db2.gz BBUQTXXIXSHREX-INIZCTEOSA-N 1 1 416.447 4.116 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113137 849668268 /nfs/dbraw/zinc/66/82/68/849668268.db2.gz OEBHMIUMASPEBG-MRXNPFEDSA-N 1 1 419.447 4.481 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113137 849668273 /nfs/dbraw/zinc/66/82/73/849668273.db2.gz OEBHMIUMASPEBG-MRXNPFEDSA-N 1 1 419.447 4.481 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000054227780 849830130 /nfs/dbraw/zinc/83/01/30/849830130.db2.gz LAHJADRSCVDCKA-NQIIRXRSSA-N 1 1 415.493 4.296 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000055569812 850058523 /nfs/dbraw/zinc/05/85/23/850058523.db2.gz QSNTYQYHYUXGPM-OALUTQOASA-N 1 1 407.514 4.231 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000056305155 850317735 /nfs/dbraw/zinc/31/77/35/850317735.db2.gz QHOKHXFPPGWQHS-QFIPXVFZSA-N 1 1 408.546 4.097 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000056305155 850317743 /nfs/dbraw/zinc/31/77/43/850317743.db2.gz QHOKHXFPPGWQHS-QFIPXVFZSA-N 1 1 408.546 4.097 20 30 HIEDMO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057042238 850538597 /nfs/dbraw/zinc/53/85/97/850538597.db2.gz PPFSPHYZMRNUJD-QHCPKHFHSA-N 1 1 417.553 4.111 20 30 HIEDMO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)ccc1SC ZINC000058527764 850846438 /nfs/dbraw/zinc/84/64/38/850846438.db2.gz FBDOZIHBJZIXDT-UHFFFAOYSA-N 1 1 411.571 4.413 20 30 HIEDMO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)ccc1SC ZINC000058527764 850846442 /nfs/dbraw/zinc/84/64/42/850846442.db2.gz FBDOZIHBJZIXDT-UHFFFAOYSA-N 1 1 411.571 4.413 20 30 HIEDMO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000058952293 850966856 /nfs/dbraw/zinc/96/68/56/850966856.db2.gz SRZCMJORJDIXQW-IBGZPJMESA-N 1 1 408.542 4.422 20 30 HIEDMO C=CCOc1c(Br)cc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029091 851278009 /nfs/dbraw/zinc/27/80/09/851278009.db2.gz XKEOPHPPJHRVST-INIZCTEOSA-N 1 1 411.384 4.377 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000062230879 851512521 /nfs/dbraw/zinc/51/25/21/851512521.db2.gz RHJISFCKWXMAAN-GOSISDBHSA-N 1 1 420.582 4.195 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063403311 851680401 /nfs/dbraw/zinc/68/04/01/851680401.db2.gz SXFVZSUNPIHICU-HDICACEKSA-N 1 1 402.539 4.049 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000065432896 852130630 /nfs/dbraw/zinc/13/06/30/852130630.db2.gz SMEKFWWIRNPAFV-JPYJTQIMSA-N 1 1 421.541 4.322 20 30 HIEDMO CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491139 852618312 /nfs/dbraw/zinc/61/83/12/852618312.db2.gz ITMHFCOFZUCKHE-JOCHJYFZSA-N 1 1 421.541 4.151 20 30 HIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422643 852704663 /nfs/dbraw/zinc/70/46/63/852704663.db2.gz CNHGMLISGXPMAX-FQEVSTJZSA-N 1 1 413.905 4.395 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107715046 852789128 /nfs/dbraw/zinc/78/91/28/852789128.db2.gz UARLQRIWGGCVPG-IBGZPJMESA-N 1 1 407.583 4.482 20 30 HIEDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591483 852862601 /nfs/dbraw/zinc/86/26/01/852862601.db2.gz MQENBMTUFYKLDO-DEOSSOPVSA-N 1 1 405.542 4.005 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068494 /nfs/dbraw/zinc/06/84/94/853068494.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 1 1 418.585 4.137 20 30 HIEDMO CN(C(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1 ZINC000110933497 853170420 /nfs/dbraw/zinc/17/04/20/853170420.db2.gz DMQWTZNWZGQTAK-UHFFFAOYSA-N 1 1 419.569 4.145 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cn2ccccc12 ZINC000110987922 853181010 /nfs/dbraw/zinc/18/10/10/853181010.db2.gz YFPFKKNJQPANBC-KRWDZBQOSA-N 1 1 401.445 4.380 20 30 HIEDMO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990106 853276979 /nfs/dbraw/zinc/27/69/79/853276979.db2.gz RLTSVKVGMLJSAV-CVDCTZTESA-N 1 1 407.583 4.475 20 30 HIEDMO C=C(Br)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000122710180 853369592 /nfs/dbraw/zinc/36/95/92/853369592.db2.gz DOJIZFIAAUNGLD-UHFFFAOYSA-N 1 1 413.935 4.218 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000138934816 853399689 /nfs/dbraw/zinc/39/96/89/853399689.db2.gz PLSNRFYNMJBWPS-UHFFFAOYSA-N 1 1 416.591 4.232 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000140116197 853434799 /nfs/dbraw/zinc/43/47/99/853434799.db2.gz ZDENTJLWEJPXKR-SFTDATJTSA-N 1 1 414.347 4.183 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000149883555 853633896 /nfs/dbraw/zinc/63/38/96/853633896.db2.gz PXGWQDPXNXFGJU-HXUWFJFHSA-N 1 1 407.562 4.075 20 30 HIEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195612768 853714307 /nfs/dbraw/zinc/71/43/07/853714307.db2.gz TZJNCSXARHSTQU-HXUWFJFHSA-N 1 1 420.557 4.127 20 30 HIEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195612768 853714314 /nfs/dbraw/zinc/71/43/14/853714314.db2.gz TZJNCSXARHSTQU-HXUWFJFHSA-N 1 1 420.557 4.127 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000237216061 853984365 /nfs/dbraw/zinc/98/43/65/853984365.db2.gz XAHOXKPWZHNWSO-PMACEKPBSA-N 1 1 410.558 4.159 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237332956 854008446 /nfs/dbraw/zinc/00/84/46/854008446.db2.gz SSRQHPLOMBRISV-LJQANCHMSA-N 1 1 410.537 4.111 20 30 HIEDMO N#Cc1csc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000237856362 854108503 /nfs/dbraw/zinc/10/85/03/854108503.db2.gz TXLYNGGGZUTMBQ-UHFFFAOYSA-N 1 1 402.567 4.232 20 30 HIEDMO N#Cc1csc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)c1 ZINC000237856362 854108509 /nfs/dbraw/zinc/10/85/09/854108509.db2.gz TXLYNGGGZUTMBQ-UHFFFAOYSA-N 1 1 402.567 4.232 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237893452 854115979 /nfs/dbraw/zinc/11/59/79/854115979.db2.gz BBGFQKKOTWRISJ-DEOSSOPVSA-N 1 1 404.535 4.458 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000301170371 854318916 /nfs/dbraw/zinc/31/89/16/854318916.db2.gz WVBJOGAGTZDPHP-UHFFFAOYSA-N 1 1 424.451 4.152 20 30 HIEDMO C[C@H]1C[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301529804 854414231 /nfs/dbraw/zinc/41/42/31/854414231.db2.gz JGMQDPPZPVHLRT-QFBILLFUSA-N 1 1 401.470 4.480 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000301695198 854447116 /nfs/dbraw/zinc/44/71/16/854447116.db2.gz ATLDXVTXCXGXOT-UHFFFAOYSA-N 1 1 402.420 4.092 20 30 HIEDMO N#Cc1ccc(Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)nn1 ZINC000301894324 854487101 /nfs/dbraw/zinc/48/71/01/854487101.db2.gz BABWZHPXWFBKIG-UHFFFAOYSA-N 1 1 404.905 4.067 20 30 HIEDMO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2c1 ZINC000302875395 854662947 /nfs/dbraw/zinc/66/29/47/854662947.db2.gz FJIIQBYYVYSVHM-JOCHJYFZSA-N 1 1 400.526 4.292 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303296432 854858396 /nfs/dbraw/zinc/85/83/96/854858396.db2.gz BVQYRZYUGGKODZ-QGZVFWFLSA-N 1 1 403.592 4.498 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 ZINC000303385186 854902527 /nfs/dbraw/zinc/90/25/27/854902527.db2.gz NNVMXUTUBJAOTE-HXUWFJFHSA-N 1 1 422.598 4.003 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000303458976 854959213 /nfs/dbraw/zinc/95/92/13/854959213.db2.gz LGYHXVJESOIGDI-CWAQXLGLSA-N 1 1 417.553 4.419 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)c1C#N ZINC000303508546 854997595 /nfs/dbraw/zinc/99/75/95/854997595.db2.gz AXMSSRQGTRILKM-NRFANRHFSA-N 1 1 416.525 4.046 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000303525638 855013122 /nfs/dbraw/zinc/01/31/22/855013122.db2.gz FZWKZNAUFFINDP-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO N#Cc1c(NC(=O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000303525638 855013127 /nfs/dbraw/zinc/01/31/27/855013127.db2.gz FZWKZNAUFFINDP-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1C#N ZINC000303563453 855041648 /nfs/dbraw/zinc/04/16/48/855041648.db2.gz LONNZMDBKNPKMD-XMMPIXPASA-N 1 1 406.530 4.379 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844797 855241737 /nfs/dbraw/zinc/24/17/37/855241737.db2.gz NMEVDWPXSFXECM-GOSISDBHSA-N 1 1 422.460 4.014 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000303859524 855254762 /nfs/dbraw/zinc/25/47/62/855254762.db2.gz GGGVPPLSRWVFAI-VBKZILBWSA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000303859524 855254773 /nfs/dbraw/zinc/25/47/73/855254773.db2.gz GGGVPPLSRWVFAI-VBKZILBWSA-N 1 1 401.869 4.141 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000303863062 855258041 /nfs/dbraw/zinc/25/80/41/855258041.db2.gz WUFQODYRZYZNDP-DQEYMECFSA-N 1 1 416.569 4.187 20 30 HIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940683 855305738 /nfs/dbraw/zinc/30/57/38/855305738.db2.gz SOYPDLPHPLJDDQ-CYBMUJFWSA-N 1 1 402.589 4.457 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409460877 855490296 /nfs/dbraw/zinc/49/02/96/855490296.db2.gz JMBMDFNCNVIUCJ-LJQANCHMSA-N 1 1 413.525 4.048 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000410366287 855954265 /nfs/dbraw/zinc/95/42/65/855954265.db2.gz POFJLDAWJWIENM-KDURUIRLSA-N 1 1 420.557 4.419 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426142721 856135291 /nfs/dbraw/zinc/13/52/91/856135291.db2.gz WHYABOGBQHMBRW-TZIWHRDSSA-N 1 1 412.921 4.013 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426142721 856135299 /nfs/dbraw/zinc/13/52/99/856135299.db2.gz WHYABOGBQHMBRW-TZIWHRDSSA-N 1 1 412.921 4.013 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426840420 856507902 /nfs/dbraw/zinc/50/79/02/856507902.db2.gz NTQVQDCJGQYMSR-JOCHJYFZSA-N 1 1 405.889 4.052 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426841547 856507956 /nfs/dbraw/zinc/50/79/56/856507956.db2.gz DBFDYUQJKJZHKB-IBGZPJMESA-N 1 1 411.918 4.113 20 30 HIEDMO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426994933 856585147 /nfs/dbraw/zinc/58/51/47/856585147.db2.gz LBRZNSQCTYYGJB-UZLBHIALSA-N 1 1 410.587 4.160 20 30 HIEDMO CC[N@@H+](CCNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)CCC(F)(F)F ZINC000427231661 856727685 /nfs/dbraw/zinc/72/76/85/856727685.db2.gz XDAWRGOQRVXRGE-UHFFFAOYSA-N 1 1 414.365 4.267 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000427817113 856968781 /nfs/dbraw/zinc/96/87/81/856968781.db2.gz LANVZZBJLXVHHZ-PKTZIBPZSA-N 1 1 419.912 4.286 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c2ccccc21 ZINC000437535061 862870923 /nfs/dbraw/zinc/87/09/23/862870923.db2.gz JHCUGPITNWOUAR-NRFANRHFSA-N 1 1 401.510 4.071 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c2ccccc21 ZINC000437535061 862870924 /nfs/dbraw/zinc/87/09/24/862870924.db2.gz JHCUGPITNWOUAR-NRFANRHFSA-N 1 1 401.510 4.071 20 30 HIEDMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)nc(C)[nH+]1 ZINC000428887209 857391455 /nfs/dbraw/zinc/39/14/55/857391455.db2.gz LYVDSNCWNBHVIN-INIZCTEOSA-N 1 1 424.574 4.278 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429020100 857461118 /nfs/dbraw/zinc/46/11/18/857461118.db2.gz MNTOVZUMONVSQQ-QHCPKHFHSA-N 1 1 422.598 4.097 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429020100 857461127 /nfs/dbraw/zinc/46/11/27/857461127.db2.gz MNTOVZUMONVSQQ-QHCPKHFHSA-N 1 1 422.598 4.097 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000429048843 857476264 /nfs/dbraw/zinc/47/62/64/857476264.db2.gz UATVZPDMLDMIBZ-OAQYLSRUSA-N 1 1 421.545 4.259 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000429225204 857562967 /nfs/dbraw/zinc/56/29/67/857562967.db2.gz DICJTFLOANWROV-UHFFFAOYSA-N 1 1 414.893 4.328 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429246886 857572818 /nfs/dbraw/zinc/57/28/18/857572818.db2.gz UNOCHNIIAWSPGR-OAHLLOKOSA-N 1 1 412.515 4.310 20 30 HIEDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000429291707 857592910 /nfs/dbraw/zinc/59/29/10/857592910.db2.gz IVQLSDKMGNRREI-QGZVFWFLSA-N 1 1 414.550 4.118 20 30 HIEDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000429291707 857592914 /nfs/dbraw/zinc/59/29/14/857592914.db2.gz IVQLSDKMGNRREI-QGZVFWFLSA-N 1 1 414.550 4.118 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(c2ccncc2)CC1 ZINC000429586117 857769754 /nfs/dbraw/zinc/76/97/54/857769754.db2.gz APQUJXFYILMDQE-INIZCTEOSA-N 1 1 408.571 4.490 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429599852 857783126 /nfs/dbraw/zinc/78/31/26/857783126.db2.gz UDNAZZVOVPMQQE-UHFFFAOYSA-N 1 1 415.541 4.234 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccccc1 ZINC000430157443 858057054 /nfs/dbraw/zinc/05/70/54/858057054.db2.gz DMYLRKHEVAVGRR-JOCHJYFZSA-N 1 1 415.493 4.194 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000431209120 858504178 /nfs/dbraw/zinc/50/41/78/858504178.db2.gz PYVGYWOEICSXOC-YJBOKZPZSA-N 1 1 414.456 4.334 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901804 858862711 /nfs/dbraw/zinc/86/27/11/858862711.db2.gz YHCVPIMGJQONIS-ZEQRLZLVSA-N 1 1 420.557 4.012 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000432940514 859439065 /nfs/dbraw/zinc/43/90/65/859439065.db2.gz SCWZVMOOBJOGIZ-IRXDYDNUSA-N 1 1 405.384 4.412 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000432940514 859439069 /nfs/dbraw/zinc/43/90/69/859439069.db2.gz SCWZVMOOBJOGIZ-IRXDYDNUSA-N 1 1 405.384 4.412 20 30 HIEDMO COc1cc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000432951304 859443700 /nfs/dbraw/zinc/44/37/00/859443700.db2.gz SRVUSYZMKBNKJR-UHFFFAOYSA-N 1 1 415.440 4.161 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2ccc(F)cc2Br)c(-c2ccncc2)n1 ZINC000433307404 859629173 /nfs/dbraw/zinc/62/91/73/859629173.db2.gz UURFURSLXPYMRF-UHFFFAOYSA-N 1 1 414.282 4.050 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467697278 881492459 /nfs/dbraw/zinc/49/24/59/881492459.db2.gz RMQXIDAJCDZPIM-PGRDOPGGSA-N 1 1 415.493 4.123 20 30 HIEDMO C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434375530 860320848 /nfs/dbraw/zinc/32/08/48/860320848.db2.gz XOSSKJLUHYFDPY-IBGZPJMESA-N 1 1 420.557 4.038 20 30 HIEDMO C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434375530 860320857 /nfs/dbraw/zinc/32/08/57/860320857.db2.gz XOSSKJLUHYFDPY-IBGZPJMESA-N 1 1 420.557 4.038 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434902013 860546605 /nfs/dbraw/zinc/54/66/05/860546605.db2.gz ACENNKZEIBYGDP-GOSISDBHSA-N 1 1 401.526 4.132 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccncc2)n1 ZINC000435138463 860660153 /nfs/dbraw/zinc/66/01/53/860660153.db2.gz SDIUKYRSKLLPCX-UHFFFAOYSA-N 1 1 409.497 4.024 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1 ZINC000435365291 860764527 /nfs/dbraw/zinc/76/45/27/860764527.db2.gz HHAGZHIZQFUUIX-UHFFFAOYSA-N 1 1 400.526 4.212 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438208120 863640652 /nfs/dbraw/zinc/64/06/52/863640652.db2.gz AUFNFOWOZKLPCM-VQIMIIECSA-N 1 1 408.502 4.306 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1 ZINC000438375938 863835022 /nfs/dbraw/zinc/83/50/22/863835022.db2.gz NTVURRDWPRNNRW-UHFFFAOYSA-N 1 1 416.447 4.403 20 30 HIEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000438660531 864108171 /nfs/dbraw/zinc/10/81/71/864108171.db2.gz MCWCQDUZENSREF-UHFFFAOYSA-N 1 1 418.497 4.197 20 30 HIEDMO Cc1ccccc1C(=O)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438789232 864280981 /nfs/dbraw/zinc/28/09/81/864280981.db2.gz HVLYNRMAYVYXMW-UHFFFAOYSA-N 1 1 416.443 4.140 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000438852259 864347275 /nfs/dbraw/zinc/34/72/75/864347275.db2.gz MVGHVHCCVSOBSK-MFSJNOQSSA-N 1 1 419.573 4.265 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000438852259 864347287 /nfs/dbraw/zinc/34/72/87/864347287.db2.gz MVGHVHCCVSOBSK-MFSJNOQSSA-N 1 1 419.573 4.265 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000439003926 864458586 /nfs/dbraw/zinc/45/85/86/864458586.db2.gz ONSKBDHFMYHNDN-VCFYHUQZSA-N 1 1 411.590 4.202 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439295404 864718670 /nfs/dbraw/zinc/71/86/70/864718670.db2.gz NEVLHPTZMGHOPT-DNVCBOLYSA-N 1 1 401.576 4.107 20 30 HIEDMO CCCc1c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669981 865001205 /nfs/dbraw/zinc/00/12/05/865001205.db2.gz GDOFYGHWPXWWEU-ZWKOTPCHSA-N 1 1 408.550 4.081 20 30 HIEDMO CCCc1c(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000439693457 865029675 /nfs/dbraw/zinc/02/96/75/865029675.db2.gz SMWCGARKDOIGLM-LJQANCHMSA-N 1 1 408.550 4.035 20 30 HIEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468011117 881850692 /nfs/dbraw/zinc/85/06/92/881850692.db2.gz FYZBANAEWVSAEO-UHFFFAOYSA-N 1 1 401.470 4.159 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000439990237 865300818 /nfs/dbraw/zinc/30/08/18/865300818.db2.gz UBWDNLCMDQVCJN-HYYNZMQPSA-N 1 1 424.589 4.071 20 30 HIEDMO CCCc1c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)cnn1-c1cccc(C#N)c1 ZINC000440069121 865335986 /nfs/dbraw/zinc/33/59/86/865335986.db2.gz FRASCUNRWMYUPL-HSZRJFAPSA-N 1 1 401.514 4.328 20 30 HIEDMO CCCc1c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cnn1-c1cccc(C#N)c1 ZINC000440069121 865336002 /nfs/dbraw/zinc/33/60/02/865336002.db2.gz FRASCUNRWMYUPL-HSZRJFAPSA-N 1 1 401.514 4.328 20 30 HIEDMO CC1(C)C[N@H+](C2(CNC(=O)N[C@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249559 865488465 /nfs/dbraw/zinc/48/84/65/865488465.db2.gz PEXYEVNSEYLOGH-OAQYLSRUSA-N 1 1 412.578 4.144 20 30 HIEDMO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)cc(OC)c1 ZINC000440543414 865811897 /nfs/dbraw/zinc/81/18/97/865811897.db2.gz BIIIYLLZRQRLMO-UHFFFAOYSA-N 1 1 417.456 4.253 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441037632 866103033 /nfs/dbraw/zinc/10/30/33/866103033.db2.gz UHIXZZHQHAGHOP-LLGFUMIMSA-N 1 1 409.555 4.201 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441037632 866103059 /nfs/dbraw/zinc/10/30/59/866103059.db2.gz UHIXZZHQHAGHOP-LLGFUMIMSA-N 1 1 409.555 4.201 20 30 HIEDMO CC[C@H](O)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000441056126 866130407 /nfs/dbraw/zinc/13/04/07/866130407.db2.gz CZQDJJXZZIWDIX-QFIPXVFZSA-N 1 1 422.573 4.303 20 30 HIEDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000441056126 866130426 /nfs/dbraw/zinc/13/04/26/866130426.db2.gz CZQDJJXZZIWDIX-QFIPXVFZSA-N 1 1 422.573 4.303 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sc2c1CCCC2 ZINC000441223655 866301129 /nfs/dbraw/zinc/30/11/29/866301129.db2.gz AMKHIMDYHHDBSD-UHFFFAOYSA-N 1 1 424.526 4.400 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286002 866359953 /nfs/dbraw/zinc/35/99/53/866359953.db2.gz YYGJFWKHFHNFCX-PKTZIBPZSA-N 1 1 406.526 4.394 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441389894 866460594 /nfs/dbraw/zinc/46/05/94/866460594.db2.gz XRKCTUWSLSHCLX-UHFFFAOYSA-N 1 1 416.460 4.202 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000441479362 866557479 /nfs/dbraw/zinc/55/74/79/866557479.db2.gz HNKDYMMQVVOKJU-LJQANCHMSA-N 1 1 401.942 4.103 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182755 867204766 /nfs/dbraw/zinc/20/47/66/867204766.db2.gz RIONHRLWOGFNPG-SJLPKXTDSA-N 1 1 404.392 4.024 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncccc3Oc3ccccc3)CC2)cc1 ZINC000442425101 867394498 /nfs/dbraw/zinc/39/44/98/867394498.db2.gz PSHMLIRDFFSBDL-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncccc3Oc3ccccc3)CC2)cc1 ZINC000442425101 867394517 /nfs/dbraw/zinc/39/45/17/867394517.db2.gz PSHMLIRDFFSBDL-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010384 867791329 /nfs/dbraw/zinc/79/13/29/867791329.db2.gz DKVBFVYWGKIHCG-WMZOPIPTSA-N 1 1 417.962 4.058 20 30 HIEDMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443355269 867921743 /nfs/dbraw/zinc/92/17/43/867921743.db2.gz AGRBZQBGXFYSSV-DEOSSOPVSA-N 1 1 420.513 4.195 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)c1 ZINC000443637816 868219906 /nfs/dbraw/zinc/21/99/06/868219906.db2.gz HEFJVXVPARVOKS-MRXNPFEDSA-N 1 1 403.417 4.268 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)c1 ZINC000443637808 868220616 /nfs/dbraw/zinc/22/06/16/868220616.db2.gz HEFJVXVPARVOKS-INIZCTEOSA-N 1 1 403.417 4.268 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444167018 868645920 /nfs/dbraw/zinc/64/59/20/868645920.db2.gz CXCVDWMPAAHVBQ-FPOVZHCZSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444167018 868645923 /nfs/dbraw/zinc/64/59/23/868645923.db2.gz CXCVDWMPAAHVBQ-FPOVZHCZSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000444169925 868647710 /nfs/dbraw/zinc/64/77/10/868647710.db2.gz LYVLRUBAGUSRBL-IRXDYDNUSA-N 1 1 402.608 4.022 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444239285 868689015 /nfs/dbraw/zinc/68/90/15/868689015.db2.gz KGGHCURBUQGYPD-QHCPKHFHSA-N 1 1 422.573 4.476 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444239285 868689019 /nfs/dbraw/zinc/68/90/19/868689019.db2.gz KGGHCURBUQGYPD-QHCPKHFHSA-N 1 1 422.573 4.476 20 30 HIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCCC1(C)C ZINC000444782209 869001400 /nfs/dbraw/zinc/00/14/00/869001400.db2.gz IDVNHRJVKGIRCV-HXUWFJFHSA-N 1 1 400.567 4.018 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446221847 870157512 /nfs/dbraw/zinc/15/75/12/870157512.db2.gz JTFLFBLFHWVADC-UHFFFAOYSA-N 1 1 417.431 4.013 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447368203 871275610 /nfs/dbraw/zinc/27/56/10/871275610.db2.gz PKTCJBOHLHLMFM-IIBYNOLFSA-N 1 1 414.347 4.136 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447396698 871307786 /nfs/dbraw/zinc/30/77/86/871307786.db2.gz WUBGPZJPERPHQN-SFHVURJKSA-N 1 1 413.587 4.423 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448035858 871868883 /nfs/dbraw/zinc/86/88/83/871868883.db2.gz SWECRYLGBMBNPG-MGPUTAFESA-N 1 1 408.571 4.339 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448035858 871868884 /nfs/dbraw/zinc/86/88/84/871868884.db2.gz SWECRYLGBMBNPG-MGPUTAFESA-N 1 1 408.571 4.339 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448204613 872095467 /nfs/dbraw/zinc/09/54/67/872095467.db2.gz OHFMIJYFYGBEKK-WIOPSUGQSA-N 1 1 415.537 4.226 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448285560 872214150 /nfs/dbraw/zinc/21/41/50/872214150.db2.gz MKQFSBCFSXOZHG-DNVCBOLYSA-N 1 1 408.464 4.359 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448450852 872397725 /nfs/dbraw/zinc/39/77/25/872397725.db2.gz WGAYNWSWTCZFSS-GBXCKJPGSA-N 1 1 400.526 4.391 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460364370 872994912 /nfs/dbraw/zinc/99/49/12/872994912.db2.gz LGDMTCHKTRTDIG-HXOBKFHXSA-N 1 1 413.525 4.382 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460364370 872994917 /nfs/dbraw/zinc/99/49/17/872994917.db2.gz LGDMTCHKTRTDIG-HXOBKFHXSA-N 1 1 413.525 4.382 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460371535 873007239 /nfs/dbraw/zinc/00/72/39/873007239.db2.gz BVPRRYLCZAKENY-UHFFFAOYSA-N 1 1 412.541 4.105 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460580548 873316093 /nfs/dbraw/zinc/31/60/93/873316093.db2.gz XAVARGCJIJCUFB-AWEZNQCLSA-N 1 1 422.396 4.018 20 30 HIEDMO COc1ccc2sc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c(C)c2c1 ZINC000460688307 873446275 /nfs/dbraw/zinc/44/62/75/873446275.db2.gz JXZGHKNISCUALF-UHFFFAOYSA-N 1 1 419.550 4.438 20 30 HIEDMO COc1ccc2sc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c(C)c2c1 ZINC000460688307 873446295 /nfs/dbraw/zinc/44/62/95/873446295.db2.gz JXZGHKNISCUALF-UHFFFAOYSA-N 1 1 419.550 4.438 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460764998 873606556 /nfs/dbraw/zinc/60/65/56/873606556.db2.gz ADTZJCRAYAAHQG-QFBILLFUSA-N 1 1 417.985 4.350 20 30 HIEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460782266 873637915 /nfs/dbraw/zinc/63/79/15/873637915.db2.gz AUISUXUYNVXTDY-UGKGYDQZSA-N 1 1 419.577 4.016 20 30 HIEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460923769 873828123 /nfs/dbraw/zinc/82/81/23/873828123.db2.gz LVMJYDGLKAILGU-UHFFFAOYSA-N 1 1 414.557 4.185 20 30 HIEDMO O=C(c1cc(F)ccc1F)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000468897997 882946822 /nfs/dbraw/zinc/94/68/22/882946822.db2.gz IXEDBLGHRZFYLJ-UHFFFAOYSA-N 1 1 401.322 4.074 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248313 876306496 /nfs/dbraw/zinc/30/64/96/876306496.db2.gz SYNOWOZMYNHHSR-LFRPXUGBSA-N 1 1 404.482 4.130 20 30 HIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1OCCCO ZINC000463371268 876426755 /nfs/dbraw/zinc/42/67/55/876426755.db2.gz WNSCHMJIBYNYSP-CYBMUJFWSA-N 1 1 407.283 4.072 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000463437613 876494078 /nfs/dbraw/zinc/49/40/78/876494078.db2.gz QCMPESMMNAJKEC-MOPGFXCFSA-N 1 1 411.468 4.385 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000463437613 876494082 /nfs/dbraw/zinc/49/40/82/876494082.db2.gz QCMPESMMNAJKEC-MOPGFXCFSA-N 1 1 411.468 4.385 20 30 HIEDMO CC(=O)NCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000503265731 912247762 /nfs/dbraw/zinc/24/77/62/912247762.db2.gz RTWXFHWWWIWSFC-UHFFFAOYSA-N 1 1 400.386 4.169 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464399679 877601694 /nfs/dbraw/zinc/60/16/94/877601694.db2.gz ZVJNGYBAOHDLBK-NRFANRHFSA-N 1 1 408.542 4.244 20 30 HIEDMO CCC1(CC)C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000464581034 877804588 /nfs/dbraw/zinc/80/45/88/877804588.db2.gz DMCVNAHFXJNWDM-UHFFFAOYSA-N 1 1 414.575 4.164 20 30 HIEDMO CCC1(CC)C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000464581034 877804591 /nfs/dbraw/zinc/80/45/91/877804591.db2.gz DMCVNAHFXJNWDM-UHFFFAOYSA-N 1 1 414.575 4.164 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829894 878085251 /nfs/dbraw/zinc/08/52/51/878085251.db2.gz OXUJJACADKKQRR-UYAOXDASSA-N 1 1 404.539 4.209 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829894 878085255 /nfs/dbraw/zinc/08/52/55/878085255.db2.gz OXUJJACADKKQRR-UYAOXDASSA-N 1 1 404.539 4.209 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464903275 878216812 /nfs/dbraw/zinc/21/68/12/878216812.db2.gz VNICPPAJPRVPDQ-HYBUGGRVSA-N 1 1 405.542 4.085 20 30 HIEDMO C=CCc1cc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464954238 878292284 /nfs/dbraw/zinc/29/22/84/878292284.db2.gz XAQFFWIMLLIKKS-NRFANRHFSA-N 1 1 422.569 4.417 20 30 HIEDMO C=CCc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464984552 878332052 /nfs/dbraw/zinc/33/20/52/878332052.db2.gz NZHPLWSALXDRRM-FQEVSTJZSA-N 1 1 408.542 4.026 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(N3CCc4ccccc43)CC2)c1C ZINC000503408603 912388077 /nfs/dbraw/zinc/38/80/77/912388077.db2.gz RBAMZZMGGLVNLR-UHFFFAOYSA-N 1 1 416.569 4.077 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437109 912445481 /nfs/dbraw/zinc/44/54/81/912445481.db2.gz WWYMYJYRQIKIKZ-RTBURBONSA-N 1 1 412.603 4.064 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466614500 880385420 /nfs/dbraw/zinc/38/54/20/880385420.db2.gz SXVHPRUZRLGKBB-MRXNPFEDSA-N 1 1 404.474 4.141 20 30 HIEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 ZINC000466620244 880391974 /nfs/dbraw/zinc/39/19/74/880391974.db2.gz SAHWAVXGCCQSSW-UHFFFAOYSA-N 1 1 421.545 4.237 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Br ZINC000467022200 880824026 /nfs/dbraw/zinc/82/40/26/880824026.db2.gz HWBNSRAUJHCCQW-UHFFFAOYSA-N 1 1 418.360 4.254 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1Br ZINC000467029071 880828847 /nfs/dbraw/zinc/82/88/47/880828847.db2.gz PJHNHZSGMYBMGZ-UHFFFAOYSA-N 1 1 404.333 4.113 20 30 HIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467267577 881006965 /nfs/dbraw/zinc/00/69/65/881006965.db2.gz FHCZJCROUYCTGA-UHFFFAOYSA-N 1 1 409.481 4.070 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)C1 ZINC000469147983 883245345 /nfs/dbraw/zinc/24/53/45/883245345.db2.gz URPDTNCMRJPDEX-QGZVFWFLSA-N 1 1 416.481 4.186 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469192967 883293107 /nfs/dbraw/zinc/29/31/07/883293107.db2.gz HKMBQXZHHYPTPJ-AZUAARDMSA-N 1 1 409.555 4.310 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469192967 883293125 /nfs/dbraw/zinc/29/31/25/883293125.db2.gz HKMBQXZHHYPTPJ-AZUAARDMSA-N 1 1 409.555 4.310 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469208996 883310195 /nfs/dbraw/zinc/31/01/95/883310195.db2.gz CODWLMLHSVDLJH-UTKZUKDTSA-N 1 1 406.511 4.088 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469298329 883395541 /nfs/dbraw/zinc/39/55/41/883395541.db2.gz KBIYQDKPWXUPQT-ICSRJNTNSA-N 1 1 409.555 4.168 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469298329 883395564 /nfs/dbraw/zinc/39/55/64/883395564.db2.gz KBIYQDKPWXUPQT-ICSRJNTNSA-N 1 1 409.555 4.168 20 30 HIEDMO Cc1cccc(NCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)[nH+]1 ZINC000469579977 883821754 /nfs/dbraw/zinc/82/17/54/883821754.db2.gz DTWDYFZEYZKABD-UHFFFAOYSA-N 1 1 402.523 4.396 20 30 HIEDMO CCOc1cc(Cl)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000469655336 883851617 /nfs/dbraw/zinc/85/16/17/883851617.db2.gz YVQNMSWLZSSAQD-UHFFFAOYSA-N 1 1 412.921 4.350 20 30 HIEDMO CCOc1cc(Cl)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000469655336 883851619 /nfs/dbraw/zinc/85/16/19/883851619.db2.gz YVQNMSWLZSSAQD-UHFFFAOYSA-N 1 1 412.921 4.350 20 30 HIEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000471005240 885505347 /nfs/dbraw/zinc/50/53/47/885505347.db2.gz KLVMZUBSRPXRJB-OAQYLSRUSA-N 1 1 421.932 4.205 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1C ZINC000471047113 885559452 /nfs/dbraw/zinc/55/94/52/885559452.db2.gz KSGLEEROVDPUJO-VWLOTQADSA-N 1 1 419.569 4.312 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471171835 885730490 /nfs/dbraw/zinc/73/04/90/885730490.db2.gz CAESCUXMMIAISA-GOSISDBHSA-N 1 1 408.550 4.023 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472365874 887202350 /nfs/dbraw/zinc/20/23/50/887202350.db2.gz DVQIGZQPNSKWKC-XMMPIXPASA-N 1 1 404.558 4.248 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2)c1C#N ZINC000472432688 887280595 /nfs/dbraw/zinc/28/05/95/887280595.db2.gz QGFISSMQSKHRAZ-NRFANRHFSA-N 1 1 416.525 4.436 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000472439509 887288618 /nfs/dbraw/zinc/28/86/18/887288618.db2.gz NJEMPVDKSHYLKX-NRFANRHFSA-N 1 1 405.502 4.112 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000473152649 887933200 /nfs/dbraw/zinc/93/32/00/887933200.db2.gz QFNSBBGUXLGDGP-INIZCTEOSA-N 1 1 421.570 4.288 20 30 HIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000473160397 887940354 /nfs/dbraw/zinc/94/03/54/887940354.db2.gz GGKCQPTVPFXJIL-UHFFFAOYSA-N 1 1 421.570 4.239 20 30 HIEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829490 888663622 /nfs/dbraw/zinc/66/36/22/888663622.db2.gz NPKOEXZUQIAPHH-SLYNCCJLSA-N 1 1 412.496 4.433 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474686640 889549995 /nfs/dbraw/zinc/54/99/95/889549995.db2.gz WGZVCNITUQPWQJ-XPPIMPSXSA-N 1 1 421.516 4.168 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474686640 889550007 /nfs/dbraw/zinc/55/00/07/889550007.db2.gz WGZVCNITUQPWQJ-XPPIMPSXSA-N 1 1 421.516 4.168 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000475659504 890605945 /nfs/dbraw/zinc/60/59/45/890605945.db2.gz XBLUBPIDROMIEG-UHFFFAOYSA-N 1 1 412.453 4.139 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000476597590 891531339 /nfs/dbraw/zinc/53/13/39/891531339.db2.gz NUUSTWMBEGBAMH-HFRGRHLUSA-N 1 1 403.526 4.177 20 30 HIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994574 891922142 /nfs/dbraw/zinc/92/21/42/891922142.db2.gz KNLAIZMWAALBHY-DLBZAZTESA-N 1 1 421.932 4.460 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000477253946 892205814 /nfs/dbraw/zinc/20/58/14/892205814.db2.gz UFGYTMXPORDGIU-GOSISDBHSA-N 1 1 402.539 4.193 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1)C1CC1 ZINC000477304453 892266256 /nfs/dbraw/zinc/26/62/56/892266256.db2.gz RCEMUCXLYIBOQP-UHFFFAOYSA-N 1 1 400.444 4.471 20 30 HIEDMO C=C(C)[C@@H](NC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)c1ccc(F)c(F)c1 ZINC000477749302 892842156 /nfs/dbraw/zinc/84/21/56/892842156.db2.gz UYSUNFDYRONNFY-JOCHJYFZSA-N 1 1 423.548 4.362 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000479727622 895026031 /nfs/dbraw/zinc/02/60/31/895026031.db2.gz LNOGZIRIOWNJHK-UHFFFAOYSA-N 1 1 409.578 4.000 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000480702351 896063522 /nfs/dbraw/zinc/06/35/22/896063522.db2.gz VSTMJDMHHPNWJL-QVKFZJNVSA-N 1 1 406.498 4.473 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3NCc3ccco3)CC2)cc1 ZINC000481226062 896578599 /nfs/dbraw/zinc/57/85/99/896578599.db2.gz NNQUSBZSITUQGB-UHFFFAOYSA-N 1 1 414.509 4.111 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3NCc3ccco3)CC2)cc1 ZINC000481226062 896578614 /nfs/dbraw/zinc/57/86/14/896578614.db2.gz NNQUSBZSITUQGB-UHFFFAOYSA-N 1 1 414.509 4.111 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(F)c(F)c1 ZINC000481573014 896952100 /nfs/dbraw/zinc/95/21/00/896952100.db2.gz SEMOAONPOJNLQX-JLTOFOAXSA-N 1 1 402.441 4.294 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481584274 896964655 /nfs/dbraw/zinc/96/46/55/896964655.db2.gz DZPJBIBSYVBCPT-IVZQSRNASA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481593648 896971333 /nfs/dbraw/zinc/97/13/33/896971333.db2.gz PRVXRWUTFLDBBT-DHIUTWEWSA-N 1 1 400.469 4.448 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481609791 896991126 /nfs/dbraw/zinc/99/11/26/896991126.db2.gz OOXYOWFJLWHRLX-GTQRCTGISA-N 1 1 416.468 4.209 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1cccc(COC(C)C)c1)c1ccc(F)c(F)c1 ZINC000481615219 896998055 /nfs/dbraw/zinc/99/80/55/896998055.db2.gz SHVZESKGALIKKQ-QHCPKHFHSA-N 1 1 402.485 4.413 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481624525 897009749 /nfs/dbraw/zinc/00/97/49/897009749.db2.gz OBWSRIUXSGLLLU-HXUWFJFHSA-N 1 1 405.401 4.117 20 30 HIEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481683961 897067810 /nfs/dbraw/zinc/06/78/10/897067810.db2.gz IWTHUZNLDNHNID-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC[C@@H](C[N@@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000481745342 897139005 /nfs/dbraw/zinc/13/90/05/897139005.db2.gz CUNCIVOACXWYBX-IBGZPJMESA-N 1 1 401.514 4.198 20 30 HIEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000481832231 897200171 /nfs/dbraw/zinc/20/01/71/897200171.db2.gz ORBWNPQJMBVBRO-OAHLLOKOSA-N 1 1 406.349 4.274 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481864190 897232675 /nfs/dbraw/zinc/23/26/75/897232675.db2.gz NRVJEHZLGCIVFA-GGAORHGYSA-N 1 1 405.567 4.163 20 30 HIEDMO COc1c(Br)cccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000481934162 897319209 /nfs/dbraw/zinc/31/92/09/897319209.db2.gz RKRHQNXCRRRLHD-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO COc1c(Br)cccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000481934162 897319217 /nfs/dbraw/zinc/31/92/17/897319217.db2.gz RKRHQNXCRRRLHD-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[NH2+]2)cc1 ZINC000505518081 914208111 /nfs/dbraw/zinc/20/81/11/914208111.db2.gz ZCPMLKDFSOPVGK-QHCPKHFHSA-N 1 1 415.493 4.079 20 30 HIEDMO C=C(C)CN1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000482778066 898385538 /nfs/dbraw/zinc/38/55/38/898385538.db2.gz FVBPHALVDJIVDX-UHFFFAOYSA-N 1 1 403.368 4.073 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@H]21 ZINC000483040768 898709298 /nfs/dbraw/zinc/70/92/98/898709298.db2.gz AFRSXMRYRNNMOC-ZJSXRUAMSA-N 1 1 418.541 4.280 20 30 HIEDMO Cn1cc(C[N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C#N ZINC000483176048 898842288 /nfs/dbraw/zinc/84/22/88/898842288.db2.gz WERLMCHQFZKPBT-UHFFFAOYSA-N 1 1 409.917 4.124 20 30 HIEDMO COc1cc(C[N@H+](CCO)Cc2ccc(C)o2)ccc1OCc1cccc(C#N)c1 ZINC000483199100 898854588 /nfs/dbraw/zinc/85/45/88/898854588.db2.gz OCHOHNXMOUULLL-UHFFFAOYSA-N 1 1 406.482 4.042 20 30 HIEDMO COc1cc(C[N@@H+](CCO)Cc2ccc(C)o2)ccc1OCc1cccc(C#N)c1 ZINC000483199100 898854593 /nfs/dbraw/zinc/85/45/93/898854593.db2.gz OCHOHNXMOUULLL-UHFFFAOYSA-N 1 1 406.482 4.042 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@H]21 ZINC000483230964 898874408 /nfs/dbraw/zinc/87/44/08/898874408.db2.gz QPVXJTRGOQZEKF-YLJYHZDGSA-N 1 1 408.477 4.438 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2Cc3ccc(C)cc3C2)c1C#N ZINC000483337992 898968429 /nfs/dbraw/zinc/96/84/29/898968429.db2.gz NBUBBDWMRGDACK-UHFFFAOYSA-N 1 1 402.498 4.271 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483424785 899053363 /nfs/dbraw/zinc/05/33/63/899053363.db2.gz GAZAUHREBPJFKV-MRXNPFEDSA-N 1 1 403.448 4.146 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1F ZINC000483714041 899371041 /nfs/dbraw/zinc/37/10/41/899371041.db2.gz NQBYSJIYRGIRLQ-IBGZPJMESA-N 1 1 403.461 4.052 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3cc(C)ccc3C2)c1C#N ZINC000484025815 899659599 /nfs/dbraw/zinc/65/95/99/899659599.db2.gz XFVKFBXMGZHLRE-UHFFFAOYSA-N 1 1 416.525 4.313 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349982 899899187 /nfs/dbraw/zinc/89/91/87/899899187.db2.gz KUWFACFIQHGUPB-VQIMIIECSA-N 1 1 401.469 4.074 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484352159 899900228 /nfs/dbraw/zinc/90/02/28/899900228.db2.gz KWIATLDSARQDOB-YJBOKZPZSA-N 1 1 411.468 4.241 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484352159 899900236 /nfs/dbraw/zinc/90/02/36/899900236.db2.gz KWIATLDSARQDOB-YJBOKZPZSA-N 1 1 411.468 4.241 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000485002028 900353655 /nfs/dbraw/zinc/35/36/55/900353655.db2.gz LQJCMUSZDUFUJA-UHFFFAOYSA-N 1 1 416.447 4.118 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000485100421 900409418 /nfs/dbraw/zinc/40/94/18/900409418.db2.gz ACJZNIYRGNQEIX-UHFFFAOYSA-N 1 1 413.587 4.423 20 30 HIEDMO CN(c1ccccc1)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000505781637 914449106 /nfs/dbraw/zinc/44/91/06/914449106.db2.gz GWFJTSNGMYUMSR-UHFFFAOYSA-N 1 1 400.526 4.338 20 30 HIEDMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632702 /nfs/dbraw/zinc/63/27/02/900632702.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 1 1 405.542 4.062 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CCc1nccs1 ZINC000485448949 900743158 /nfs/dbraw/zinc/74/31/58/900743158.db2.gz BPMMIZMRNYRUJK-AWEZNQCLSA-N 1 1 402.589 4.094 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485850150 901093892 /nfs/dbraw/zinc/09/38/92/901093892.db2.gz UJOFWFRMKVWRCO-HXUWFJFHSA-N 1 1 420.557 4.063 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485850150 901093901 /nfs/dbraw/zinc/09/39/01/901093901.db2.gz UJOFWFRMKVWRCO-HXUWFJFHSA-N 1 1 420.557 4.063 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)sc2c1CCCC2 ZINC000505900571 914542084 /nfs/dbraw/zinc/54/20/84/914542084.db2.gz GDIWIUUQGAAOFB-KRWDZBQOSA-N 1 1 409.555 4.228 20 30 HIEDMO N#Cc1ccc(OCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000486845745 901892593 /nfs/dbraw/zinc/89/25/93/901892593.db2.gz NGZAQNSBSCQTJS-HYBUGGRVSA-N 1 1 400.482 4.041 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929413 914580226 /nfs/dbraw/zinc/58/02/26/914580226.db2.gz CTUDEIYBVYPEQF-VQTJNVASSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464535 902838896 /nfs/dbraw/zinc/83/88/96/902838896.db2.gz JUSSTPXSOQBNFG-UZLBHIALSA-N 1 1 402.523 4.133 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500077 902857076 /nfs/dbraw/zinc/85/70/76/902857076.db2.gz OWQSTAHUCNQAFW-HXPMCKFVSA-N 1 1 406.288 4.456 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488614959 902900296 /nfs/dbraw/zinc/90/02/96/902900296.db2.gz SSVZYHCGOCUBPF-YADHBBJMSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488614959 902900321 /nfs/dbraw/zinc/90/03/21/902900321.db2.gz SSVZYHCGOCUBPF-YADHBBJMSA-N 1 1 412.484 4.202 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488624715 902904631 /nfs/dbraw/zinc/90/46/31/902904631.db2.gz IOSJMBZXVVRVJY-WQDFSMHNSA-N 1 1 416.569 4.378 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397610 903366021 /nfs/dbraw/zinc/36/60/21/903366021.db2.gz RVAGLWOXPQDGFO-XXBNENTESA-N 1 1 422.598 4.001 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489850827 903630378 /nfs/dbraw/zinc/63/03/78/903630378.db2.gz VJYPCEWMYOAVTP-GBXCKJPGSA-N 1 1 404.558 4.389 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000490018667 903726687 /nfs/dbraw/zinc/72/66/87/903726687.db2.gz GVVUCMZZIZAUSU-KRWDZBQOSA-N 1 1 405.527 4.323 20 30 HIEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227277 904490821 /nfs/dbraw/zinc/49/08/21/904490821.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227277 904490837 /nfs/dbraw/zinc/49/08/37/904490837.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227277 904490848 /nfs/dbraw/zinc/49/08/48/904490848.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 1 1 413.569 4.444 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831653 904706252 /nfs/dbraw/zinc/70/62/52/904706252.db2.gz JWSMRMJWSVLZHO-CQSZACIVSA-N 1 1 413.241 4.373 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831653 904706267 /nfs/dbraw/zinc/70/62/67/904706267.db2.gz JWSMRMJWSVLZHO-CQSZACIVSA-N 1 1 413.241 4.373 20 30 HIEDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492696030 904889686 /nfs/dbraw/zinc/88/96/86/904889686.db2.gz LUSRRCNQYQKBKZ-UHFFFAOYSA-N 1 1 412.331 4.024 20 30 HIEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC000492695633 904890209 /nfs/dbraw/zinc/89/02/09/904890209.db2.gz JVFYBNKTKBRWOW-UHFFFAOYSA-N 1 1 412.331 4.057 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)cc1 ZINC000493054353 905004894 /nfs/dbraw/zinc/00/48/94/905004894.db2.gz NOCXHFUEDQTVPK-UHFFFAOYSA-N 1 1 402.473 4.041 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1OC ZINC000512469922 921182810 /nfs/dbraw/zinc/18/28/10/921182810.db2.gz USMYZPHMCJGRKO-HXUWFJFHSA-N 1 1 413.493 4.185 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1OC ZINC000512469922 921182814 /nfs/dbraw/zinc/18/28/14/921182814.db2.gz USMYZPHMCJGRKO-HXUWFJFHSA-N 1 1 413.493 4.185 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791611 905994122 /nfs/dbraw/zinc/99/41/22/905994122.db2.gz FJLRODNIYZBLSF-SIKLNZKXSA-N 1 1 424.589 4.011 20 30 HIEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000495145034 906269883 /nfs/dbraw/zinc/26/98/83/906269883.db2.gz NMCIKXNDXOMGLD-UHFFFAOYSA-N 1 1 413.587 4.292 20 30 HIEDMO C=CCNC(=O)c1ccc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000495437426 906451897 /nfs/dbraw/zinc/45/18/97/906451897.db2.gz BMLGBGRNNLPRFZ-UHFFFAOYSA-N 1 1 418.463 4.093 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000497453633 906928144 /nfs/dbraw/zinc/92/81/44/906928144.db2.gz RUAQRELYVCGZLA-HSZRJFAPSA-N 1 1 409.578 4.216 20 30 HIEDMO CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000497611621 907088551 /nfs/dbraw/zinc/08/85/51/907088551.db2.gz NZCZXXVDHRRYDD-INIZCTEOSA-N 1 1 414.347 4.362 20 30 HIEDMO CC(C)Cn1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000497647641 907136808 /nfs/dbraw/zinc/13/68/08/907136808.db2.gz SWXLXSCVAJJBKA-UHFFFAOYSA-N 1 1 420.561 4.028 20 30 HIEDMO CC(C)Cn1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000497647641 907136812 /nfs/dbraw/zinc/13/68/12/907136812.db2.gz SWXLXSCVAJJBKA-UHFFFAOYSA-N 1 1 420.561 4.028 20 30 HIEDMO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512831899 921336172 /nfs/dbraw/zinc/33/61/72/921336172.db2.gz FZYMMZNTMXAVTM-GOSISDBHSA-N 1 1 409.505 4.493 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1C ZINC000498473093 907943735 /nfs/dbraw/zinc/94/37/35/907943735.db2.gz MAURYSKISCDAOC-UXHICEINSA-N 1 1 407.562 4.073 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499936623 909043165 /nfs/dbraw/zinc/04/31/65/909043165.db2.gz AZIAGYNHLRMIMH-HNAYVOBHSA-N 1 1 413.459 4.409 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000500243686 909732900 /nfs/dbraw/zinc/73/29/00/909732900.db2.gz FBZSVASDTKXSHH-JOCHJYFZSA-N 1 1 416.550 4.219 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000500243686 909732909 /nfs/dbraw/zinc/73/29/09/909732909.db2.gz FBZSVASDTKXSHH-JOCHJYFZSA-N 1 1 416.550 4.219 20 30 HIEDMO C=CCc1cc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)cc(OC)c1O ZINC000500457542 909870501 /nfs/dbraw/zinc/87/05/01/909870501.db2.gz AFOKVMWJEKHDRN-MRXNPFEDSA-N 1 1 408.267 4.254 20 30 HIEDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1OCCCC#N ZINC000513097079 921545472 /nfs/dbraw/zinc/54/54/72/921545472.db2.gz YZKWKDHXERXDBR-UHFFFAOYSA-N 1 1 421.541 4.114 20 30 HIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501048350 910259501 /nfs/dbraw/zinc/25/95/01/910259501.db2.gz GMPVKFYSTJIWCW-IERDGZPVSA-N 1 1 409.331 4.264 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1OCCCC#N ZINC000513143196 921581256 /nfs/dbraw/zinc/58/12/56/921581256.db2.gz ATVBCAAWOQZKNP-FQEVSTJZSA-N 1 1 408.498 4.486 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1OCCCC#N ZINC000513143197 921581479 /nfs/dbraw/zinc/58/14/79/921581479.db2.gz ATVBCAAWOQZKNP-HXUWFJFHSA-N 1 1 408.498 4.486 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501377159 910505009 /nfs/dbraw/zinc/50/50/09/910505009.db2.gz QMJUQNRKAFOUEJ-ZJSXRUAMSA-N 1 1 423.605 4.462 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000513155040 921589779 /nfs/dbraw/zinc/58/97/79/921589779.db2.gz UASDPCWCZYFGJN-GOSISDBHSA-N 1 1 416.447 4.003 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1Cl ZINC000501493868 910607238 /nfs/dbraw/zinc/60/72/38/910607238.db2.gz CVORQFVUECIQMH-MRXNPFEDSA-N 1 1 420.694 4.026 20 30 HIEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000513206323 921623105 /nfs/dbraw/zinc/62/31/05/921623105.db2.gz VQPIQQSGJSEOSZ-JOCHJYFZSA-N 1 1 421.541 4.027 20 30 HIEDMO COc1ccc(Br)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502068828 911014542 /nfs/dbraw/zinc/01/45/42/911014542.db2.gz BWGDWISOESIEBA-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO COc1ccc(Br)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502068828 911014559 /nfs/dbraw/zinc/01/45/59/911014559.db2.gz BWGDWISOESIEBA-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502171919 911095498 /nfs/dbraw/zinc/09/54/98/911095498.db2.gz IHLVSVYAXZWPNP-UHFFFAOYSA-N 1 1 405.498 4.010 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318013 911292471 /nfs/dbraw/zinc/29/24/71/911292471.db2.gz DUGMRFZQYDCSBF-DVECYGJZSA-N 1 1 400.526 4.192 20 30 HIEDMO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000502631077 911659728 /nfs/dbraw/zinc/65/97/28/911659728.db2.gz AGQBGZIXILPQFA-YOEHRIQHSA-N 1 1 401.532 4.176 20 30 HIEDMO Cc1ccc2c(CC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)coc2c1C ZINC000513314136 921706296 /nfs/dbraw/zinc/70/62/96/921706296.db2.gz BZCJTBOBLVNGTN-UHFFFAOYSA-N 1 1 401.510 4.198 20 30 HIEDMO CCOc1c(Cl)cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506295223 914890452 /nfs/dbraw/zinc/89/04/52/914890452.db2.gz PELBHQGENMQOKT-UHFFFAOYSA-N 1 1 413.949 4.327 20 30 HIEDMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309390 914899144 /nfs/dbraw/zinc/89/91/44/914899144.db2.gz SXYAVKFAFNUJTR-AOYPEHQESA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317616 914915073 /nfs/dbraw/zinc/91/50/73/914915073.db2.gz YXEGXZXFUXBCEA-IZZNHLLZSA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc2)cs1 ZINC000506393176 915010033 /nfs/dbraw/zinc/01/00/33/915010033.db2.gz BPKTWVDGRVFUNI-UHFFFAOYSA-N 1 1 404.539 4.224 20 30 HIEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)C[C@@H](C)O1 ZINC000513365551 921740306 /nfs/dbraw/zinc/74/03/06/921740306.db2.gz GTMXRHCJEAUIDR-IAGOWNOFSA-N 1 1 409.505 4.223 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506478494 915084194 /nfs/dbraw/zinc/08/41/94/915084194.db2.gz ASFZJHRBXXPQIP-GOSISDBHSA-N 1 1 405.517 4.420 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506529781 915171893 /nfs/dbraw/zinc/17/18/93/915171893.db2.gz CTAOTXFEFVUBAS-GOSISDBHSA-N 1 1 405.517 4.277 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562834 915208988 /nfs/dbraw/zinc/20/89/88/915208988.db2.gz QAVPEHWXQZXLAP-CABCVRRESA-N 1 1 414.600 4.409 20 30 HIEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000506807971 915557846 /nfs/dbraw/zinc/55/78/46/915557846.db2.gz WZVLZKYUXFGALQ-OAQYLSRUSA-N 1 1 402.498 4.126 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c(F)c1 ZINC000507165969 915905622 /nfs/dbraw/zinc/90/56/22/915905622.db2.gz UAORWAPOGKVJRU-UHFFFAOYSA-N 1 1 414.484 4.272 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1SC ZINC000507700919 916481554 /nfs/dbraw/zinc/48/15/54/916481554.db2.gz YMZBSMQQNVHOIE-JQHMZKTJSA-N 1 1 403.592 4.168 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1SC ZINC000507700919 916481573 /nfs/dbraw/zinc/48/15/73/916481573.db2.gz YMZBSMQQNVHOIE-JQHMZKTJSA-N 1 1 403.592 4.168 20 30 HIEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000507712151 916506379 /nfs/dbraw/zinc/50/63/79/916506379.db2.gz AHBOLIBJFJXSFL-UHFFFAOYSA-N 1 1 412.493 4.019 20 30 HIEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507833440 916638280 /nfs/dbraw/zinc/63/82/80/916638280.db2.gz MDKSIFKCEGNEOS-OAHLLOKOSA-N 1 1 419.441 4.121 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000508243648 917060702 /nfs/dbraw/zinc/06/07/02/917060702.db2.gz RVKYPEQDBIFMED-RTBURBONSA-N 1 1 406.486 4.107 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000508429448 917218267 /nfs/dbraw/zinc/21/82/67/917218267.db2.gz XNTJERALBBZMEF-REWPJTCUSA-N 1 1 407.558 4.446 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431392 917219269 /nfs/dbraw/zinc/21/92/69/917219269.db2.gz QPSJUXDXRNKXLP-PKOBYXMFSA-N 1 1 422.495 4.424 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508502971 917287023 /nfs/dbraw/zinc/28/70/23/917287023.db2.gz DEXLICBEPZBQQX-NZQKXSOJSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508510721 917296365 /nfs/dbraw/zinc/29/63/65/917296365.db2.gz RTENKRABNTZGQO-GMAHTHKFSA-N 1 1 405.590 4.093 20 30 HIEDMO CCOc1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601885 917372240 /nfs/dbraw/zinc/37/22/40/917372240.db2.gz BERUXQIUFRCKDA-RTBURBONSA-N 1 1 423.557 4.396 20 30 HIEDMO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508814782 917568464 /nfs/dbraw/zinc/56/84/64/917568464.db2.gz WKQKNTPNKMQYIQ-MZYLBHOOSA-N 1 1 405.590 4.459 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508850910 917604289 /nfs/dbraw/zinc/60/42/89/917604289.db2.gz WXZBZGRALQFEED-CTNGQTDRSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508864306 917618595 /nfs/dbraw/zinc/61/85/95/917618595.db2.gz NNLFBPFBXVZCNX-QGZVFWFLSA-N 1 1 411.550 4.139 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508918857 917677442 /nfs/dbraw/zinc/67/74/42/917677442.db2.gz FSOYCNPTUPXLNB-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO CCOc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC000509120303 917855636 /nfs/dbraw/zinc/85/56/36/917855636.db2.gz FKORNBAFXNCLQJ-UHFFFAOYSA-N 1 1 401.457 4.271 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510071915 918640635 /nfs/dbraw/zinc/64/06/35/918640635.db2.gz NFUKFCMGTDWRQY-DENIHFKCSA-N 1 1 405.542 4.133 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510071916 918640876 /nfs/dbraw/zinc/64/08/76/918640876.db2.gz NFUKFCMGTDWRQY-KNQAVFIVSA-N 1 1 405.542 4.133 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510195812 918745058 /nfs/dbraw/zinc/74/50/58/918745058.db2.gz VRKYHIFCLJESQO-CVDCTZTESA-N 1 1 407.583 4.208 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510422572 918888179 /nfs/dbraw/zinc/88/81/79/918888179.db2.gz AVADSSRXBWCHKV-UNMCSNQZSA-N 1 1 415.541 4.235 20 30 HIEDMO C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551206 918996864 /nfs/dbraw/zinc/99/68/64/918996864.db2.gz OOVPLPJPVOOYDW-WMZOPIPTSA-N 1 1 407.480 4.009 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000510645874 919086556 /nfs/dbraw/zinc/08/65/56/919086556.db2.gz MMKPFBGEMGXCQE-KRWDZBQOSA-N 1 1 408.502 4.355 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000511396195 920008035 /nfs/dbraw/zinc/00/80/35/920008035.db2.gz GNCXMVBCXDQBHH-IBGZPJMESA-N 1 1 420.557 4.299 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1Cl ZINC000511781454 920472651 /nfs/dbraw/zinc/47/26/51/920472651.db2.gz NZUFHPMXQPTYCC-RZUBCFFCSA-N 1 1 409.917 4.045 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000512252237 921010946 /nfs/dbraw/zinc/01/09/46/921010946.db2.gz JKPDRVYLEGFUNI-UHFFFAOYSA-N 1 1 405.542 4.036 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274384 921029725 /nfs/dbraw/zinc/02/97/25/921029725.db2.gz CILOIACGCBFKBK-MJGOQNOKSA-N 1 1 403.860 4.178 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673111 921994873 /nfs/dbraw/zinc/99/48/73/921994873.db2.gz XIUNNMXJMHQPJK-QFQXNSOFSA-N 1 1 404.473 4.071 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673111 921994880 /nfs/dbraw/zinc/99/48/80/921994880.db2.gz XIUNNMXJMHQPJK-QFQXNSOFSA-N 1 1 404.473 4.071 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)c2)c1 ZINC000513672317 921995858 /nfs/dbraw/zinc/99/58/58/921995858.db2.gz JHSBXYQYFYNUDX-JOCHJYFZSA-N 1 1 413.525 4.055 20 30 HIEDMO N#C[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513977924 922299293 /nfs/dbraw/zinc/29/92/93/922299293.db2.gz BNZJJEKTNCWSOE-JGWILWEVSA-N 1 1 422.326 4.198 20 30 HIEDMO N#C[C@@H]1C[N@H+](CC/C=C/c2ccc(Br)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513977924 922299305 /nfs/dbraw/zinc/29/93/05/922299305.db2.gz BNZJJEKTNCWSOE-JGWILWEVSA-N 1 1 422.326 4.198 20 30 HIEDMO CC(C)N1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000514008157 922331534 /nfs/dbraw/zinc/33/15/34/922331534.db2.gz BWGRSORNBALLBL-UHFFFAOYSA-N 1 1 402.608 4.022 20 30 HIEDMO CC(C)N1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000514008157 922331553 /nfs/dbraw/zinc/33/15/53/922331553.db2.gz BWGRSORNBALLBL-UHFFFAOYSA-N 1 1 402.608 4.022 20 30 HIEDMO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000562376484 945067724 /nfs/dbraw/zinc/06/77/24/945067724.db2.gz PSXSNAIAKAHSCR-UHFFFAOYSA-N 1 1 423.860 4.097 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000514820146 922813881 /nfs/dbraw/zinc/81/38/81/922813881.db2.gz NONGOPFTNNXBDW-JOCHJYFZSA-N 1 1 402.498 4.098 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(C#N)cc1 ZINC000515134797 922942970 /nfs/dbraw/zinc/94/29/70/922942970.db2.gz HFIAFYCCEFDHLC-UHFFFAOYSA-N 1 1 413.905 4.224 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(C#N)cc1 ZINC000515134797 922942993 /nfs/dbraw/zinc/94/29/93/922942993.db2.gz HFIAFYCCEFDHLC-UHFFFAOYSA-N 1 1 413.905 4.224 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522805 923153137 /nfs/dbraw/zinc/15/31/37/923153137.db2.gz KBQKSISFZXIEIC-AQNXPRMDSA-N 1 1 404.558 4.153 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517817354 926849802 /nfs/dbraw/zinc/84/98/02/926849802.db2.gz NZOAOJFAAJFWKD-LJQANCHMSA-N 1 1 411.509 4.089 20 30 HIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520937564 928882492 /nfs/dbraw/zinc/88/24/92/928882492.db2.gz DBGRNHLJSXCPRB-CQSZACIVSA-N 1 1 416.298 4.313 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520937564 928882493 /nfs/dbraw/zinc/88/24/93/928882493.db2.gz DBGRNHLJSXCPRB-CQSZACIVSA-N 1 1 416.298 4.313 20 30 HIEDMO Cc1cnc(-c2cccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000520936849 928882574 /nfs/dbraw/zinc/88/25/74/928882574.db2.gz JWWJXGUJUWOFPC-UHFFFAOYSA-N 1 1 415.497 4.262 20 30 HIEDMO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)cc1 ZINC000521319798 929132052 /nfs/dbraw/zinc/13/20/52/929132052.db2.gz NGIWWKBGPKLAFE-UHFFFAOYSA-N 1 1 420.538 4.411 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000521841260 929493282 /nfs/dbraw/zinc/49/32/82/929493282.db2.gz ZEEWJEHXUGIMJE-UHFFFAOYSA-N 1 1 420.557 4.123 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000524590196 929702068 /nfs/dbraw/zinc/70/20/68/929702068.db2.gz YRYHFTUIEJWTAU-KRWDZBQOSA-N 1 1 424.358 4.303 20 30 HIEDMO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000524757963 929820511 /nfs/dbraw/zinc/82/05/11/929820511.db2.gz CCEPBEDLZBZSQH-UHFFFAOYSA-N 1 1 422.548 4.037 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000525039106 929994546 /nfs/dbraw/zinc/99/45/46/929994546.db2.gz FOHQIALLRJJMHP-WMZHIEFXSA-N 1 1 411.571 4.368 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000530356730 930691822 /nfs/dbraw/zinc/69/18/22/930691822.db2.gz CAMPXHGENVMPCG-GOTSBHOMSA-N 1 1 418.541 4.068 20 30 HIEDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000531391220 931042081 /nfs/dbraw/zinc/04/20/81/931042081.db2.gz ZQYSUFSIOOSOAA-OFNKIYASSA-N 1 1 407.558 4.378 20 30 HIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(OC(F)F)c1 ZINC000531472378 931070426 /nfs/dbraw/zinc/07/04/26/931070426.db2.gz ZKYFIIQDORQRPR-UHFFFAOYSA-N 1 1 411.452 4.216 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(OC(F)F)c1 ZINC000531472378 931070430 /nfs/dbraw/zinc/07/04/30/931070430.db2.gz ZKYFIIQDORQRPR-UHFFFAOYSA-N 1 1 411.452 4.216 20 30 HIEDMO CC(C)(C)[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532158729 931331820 /nfs/dbraw/zinc/33/18/20/931331820.db2.gz HKSOQAYSVZGPIY-HSZRJFAPSA-N 1 1 424.614 4.031 20 30 HIEDMO C[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000532159229 931332010 /nfs/dbraw/zinc/33/20/10/931332010.db2.gz SKYTXSCSEITQNE-UHFFFAOYSA-N 1 1 401.432 4.200 20 30 HIEDMO C[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000532159229 931332020 /nfs/dbraw/zinc/33/20/20/931332020.db2.gz SKYTXSCSEITQNE-UHFFFAOYSA-N 1 1 401.432 4.200 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000532554611 931521827 /nfs/dbraw/zinc/52/18/27/931521827.db2.gz WNNUPWVPWQCFQV-INIZCTEOSA-N 1 1 411.571 4.399 20 30 HIEDMO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532669896 931578097 /nfs/dbraw/zinc/57/80/97/931578097.db2.gz MUJNCUUIUGLBGP-UHFFFAOYSA-N 1 1 406.511 4.434 20 30 HIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000532819845 931640009 /nfs/dbraw/zinc/64/00/09/931640009.db2.gz QOHQEHBWLMYWSC-UHFFFAOYSA-N 1 1 417.509 4.371 20 30 HIEDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1sccc1C#N ZINC000532957701 931711769 /nfs/dbraw/zinc/71/17/69/931711769.db2.gz KTNSAXVUDQOYSC-UHFFFAOYSA-N 1 1 407.543 4.293 20 30 HIEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000532967768 931719321 /nfs/dbraw/zinc/71/93/21/931719321.db2.gz HSIPMJRACPJKIP-MRXNPFEDSA-N 1 1 409.555 4.325 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000533225700 931814209 /nfs/dbraw/zinc/81/42/09/931814209.db2.gz LYMOZUDKCDQCPX-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000533225700 931814214 /nfs/dbraw/zinc/81/42/14/931814214.db2.gz LYMOZUDKCDQCPX-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000533250629 931818643 /nfs/dbraw/zinc/81/86/43/931818643.db2.gz BUSSXVYORMTESM-UHFFFAOYSA-N 1 1 404.283 4.309 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000533250629 931818644 /nfs/dbraw/zinc/81/86/44/931818644.db2.gz BUSSXVYORMTESM-UHFFFAOYSA-N 1 1 404.283 4.309 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1)CCCC2 ZINC000533283470 931827581 /nfs/dbraw/zinc/82/75/81/931827581.db2.gz DFDRJDKAIXXHLY-UHFFFAOYSA-N 1 1 419.554 4.253 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)CCCC2 ZINC000533283470 931827585 /nfs/dbraw/zinc/82/75/85/931827585.db2.gz DFDRJDKAIXXHLY-UHFFFAOYSA-N 1 1 419.554 4.253 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364958 931849226 /nfs/dbraw/zinc/84/92/26/931849226.db2.gz PCNSGZZPHUNBPK-AEFFLSMTSA-N 1 1 414.937 4.159 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379792 931853472 /nfs/dbraw/zinc/85/34/72/931853472.db2.gz AUIVMYUCVIWBBR-UGKGYDQZSA-N 1 1 422.916 4.179 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379792 931853475 /nfs/dbraw/zinc/85/34/75/931853475.db2.gz AUIVMYUCVIWBBR-UGKGYDQZSA-N 1 1 422.916 4.179 20 30 HIEDMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424015 931863286 /nfs/dbraw/zinc/86/32/86/931863286.db2.gz HKHDPNBPINBFRN-DYESRHJHSA-N 1 1 409.555 4.215 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c2ccccc21 ZINC000533481278 931880514 /nfs/dbraw/zinc/88/05/14/931880514.db2.gz QYJOTTJPLHGTTO-UHFFFAOYSA-N 1 1 409.493 4.403 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c2ccccc21 ZINC000533481278 931880517 /nfs/dbraw/zinc/88/05/17/931880517.db2.gz QYJOTTJPLHGTTO-UHFFFAOYSA-N 1 1 409.493 4.403 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222188 932342048 /nfs/dbraw/zinc/34/20/48/932342048.db2.gz RFLOOKWBLHLXGX-KKSFZXQISA-N 1 1 417.937 4.252 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)sc2c1CCCC2 ZINC000534356497 932391105 /nfs/dbraw/zinc/39/11/05/932391105.db2.gz GLQFCGJZJCRTKD-NRFANRHFSA-N 1 1 423.582 4.100 20 30 HIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000534905717 932832510 /nfs/dbraw/zinc/83/25/10/932832510.db2.gz ZINHXKQXZAILNY-INIZCTEOSA-N 1 1 411.571 4.256 20 30 HIEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535281350 933047811 /nfs/dbraw/zinc/04/78/11/933047811.db2.gz LHQZRXUPRHCKGS-JOCHJYFZSA-N 1 1 401.441 4.406 20 30 HIEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535281350 933047816 /nfs/dbraw/zinc/04/78/16/933047816.db2.gz LHQZRXUPRHCKGS-JOCHJYFZSA-N 1 1 401.441 4.406 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535676121 933324486 /nfs/dbraw/zinc/32/44/86/933324486.db2.gz OGNPASJNDUZZCH-OXJNMPFZSA-N 1 1 400.885 4.360 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535680698 933332428 /nfs/dbraw/zinc/33/24/28/933332428.db2.gz OVFOTJBZRQKRAA-MGPUTAFESA-N 1 1 416.884 4.174 20 30 HIEDMO COc1ccc(Br)c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537296875 933703178 /nfs/dbraw/zinc/70/31/78/933703178.db2.gz YYEXKGUTMIXGSW-UHFFFAOYSA-N 1 1 414.347 4.084 20 30 HIEDMO C=CCOc1ccc(C[NH+]2CCN(Cc3csc([C@H](C)OCC)n3)CC2)cc1 ZINC000537621876 938336907 /nfs/dbraw/zinc/33/69/07/938336907.db2.gz GTWFPINJVFPQGK-SFHVURJKSA-N 1 1 401.576 4.123 20 30 HIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628886 938339893 /nfs/dbraw/zinc/33/98/93/938339893.db2.gz JHARCXPHBJPLOD-MRXNPFEDSA-N 1 1 419.920 4.455 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1OCC ZINC000537687197 938354480 /nfs/dbraw/zinc/35/44/80/938354480.db2.gz DEUXFAJXNJUVDQ-SJLPKXTDSA-N 1 1 410.352 4.414 20 30 HIEDMO C=CCOc1cccc(C[N@@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1 ZINC000537711741 938361788 /nfs/dbraw/zinc/36/17/88/938361788.db2.gz WIPNDXMJDRZPJP-GOSISDBHSA-N 1 1 401.576 4.123 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000538212862 938558478 /nfs/dbraw/zinc/55/84/78/938558478.db2.gz ABARCKWPFMBTKB-CYBMUJFWSA-N 1 1 414.296 4.340 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)O)ccc1Cl ZINC000538321406 938592179 /nfs/dbraw/zinc/59/21/79/938592179.db2.gz GHCJYZXUYCVOAM-UHFFFAOYSA-N 1 1 413.949 4.168 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000539102102 938803153 /nfs/dbraw/zinc/80/31/53/938803153.db2.gz HCWAYGTXPKTLMB-DEOSSOPVSA-N 1 1 410.521 4.149 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1OC(F)F ZINC000539247771 938825206 /nfs/dbraw/zinc/82/52/06/938825206.db2.gz NFSGXXADSFZQHG-NEPJUHHUSA-N 1 1 405.470 4.388 20 30 HIEDMO CCC[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000539422671 938858125 /nfs/dbraw/zinc/85/81/25/938858125.db2.gz BFMXPZQFQOVIMM-QFIPXVFZSA-N 1 1 401.514 4.095 20 30 HIEDMO CN(c1ccccc1CNCC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000539703929 938907268 /nfs/dbraw/zinc/90/72/68/938907268.db2.gz HOFNMLCVHSVHTR-UHFFFAOYSA-N 1 1 415.503 4.377 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539813169 938940273 /nfs/dbraw/zinc/94/02/73/938940273.db2.gz JQHSWVQAMNXYON-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539813169 938940279 /nfs/dbraw/zinc/94/02/79/938940279.db2.gz JQHSWVQAMNXYON-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000540309945 939189711 /nfs/dbraw/zinc/18/97/11/939189711.db2.gz YPTVWDVRNBQXFH-WIOPSUGQSA-N 1 1 414.553 4.384 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540668497 939334809 /nfs/dbraw/zinc/33/48/09/939334809.db2.gz UUYKSVJRMPSURI-HXUWFJFHSA-N 1 1 401.432 4.200 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540741293 939355013 /nfs/dbraw/zinc/35/50/13/939355013.db2.gz HTHOAWJPZKALQY-UTKZUKDTSA-N 1 1 411.908 4.457 20 30 HIEDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131989 939472255 /nfs/dbraw/zinc/47/22/55/939472255.db2.gz DBCOCCUUIIRYRA-HOYKHHGWSA-N 1 1 403.526 4.046 20 30 HIEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2C1 ZINC000541274296 939488909 /nfs/dbraw/zinc/48/89/09/939488909.db2.gz RJASCTPNXXFHOP-UHFFFAOYSA-N 1 1 419.510 4.221 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2C1 ZINC000541274296 939488910 /nfs/dbraw/zinc/48/89/10/939488910.db2.gz RJASCTPNXXFHOP-UHFFFAOYSA-N 1 1 419.510 4.221 20 30 HIEDMO N#CCc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000541296401 939489885 /nfs/dbraw/zinc/48/98/85/939489885.db2.gz VXMLOWLTGZJYDM-UHFFFAOYSA-N 1 1 402.325 4.454 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541703702 939609763 /nfs/dbraw/zinc/60/97/63/939609763.db2.gz NSFLNGQIJLTDCY-ICSRJNTNSA-N 1 1 401.869 4.141 20 30 HIEDMO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000541967339 939664707 /nfs/dbraw/zinc/66/47/07/939664707.db2.gz UQLPGYMILWEDQG-RPWUZVMVSA-N 1 1 407.558 4.150 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000542261600 939775662 /nfs/dbraw/zinc/77/56/62/939775662.db2.gz PCSUBTBMFAVJIB-GPXOXTDOSA-N 1 1 403.526 4.034 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543023400 939897274 /nfs/dbraw/zinc/89/72/74/939897274.db2.gz GHBTZVBPJJCFRL-MJGOQNOKSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543023400 939897275 /nfs/dbraw/zinc/89/72/75/939897275.db2.gz GHBTZVBPJJCFRL-MJGOQNOKSA-N 1 1 400.885 4.090 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000543363070 940041943 /nfs/dbraw/zinc/04/19/43/940041943.db2.gz UQVYCALZJNUTAZ-CVDCTZTESA-N 1 1 402.542 4.285 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363321 940042486 /nfs/dbraw/zinc/04/24/86/940042486.db2.gz IOBDOUDPZPQAQY-NTKDMRAZSA-N 1 1 402.542 4.143 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543585051 940119513 /nfs/dbraw/zinc/11/95/13/940119513.db2.gz FFYLVUZYEYEIKY-HOTGVXAUSA-N 1 1 401.576 4.107 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000543874138 940220188 /nfs/dbraw/zinc/22/01/88/940220188.db2.gz YOSJKFXDOCEGSZ-UHFFFAOYSA-N 1 1 409.555 4.284 20 30 HIEDMO CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546227249 940735685 /nfs/dbraw/zinc/73/56/85/940735685.db2.gz PBIGHQPHMQMSKH-QFIPXVFZSA-N 1 1 414.553 4.334 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000547843580 941078092 /nfs/dbraw/zinc/07/80/92/941078092.db2.gz QWHPHXKSFWFOJM-HXUWFJFHSA-N 1 1 416.447 4.079 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548953596 941133108 /nfs/dbraw/zinc/13/31/08/941133108.db2.gz RMBDVQODGRNGJZ-UHFFFAOYSA-N 1 1 416.554 4.063 20 30 HIEDMO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549329677 941180545 /nfs/dbraw/zinc/18/05/45/941180545.db2.gz XDUAWGWHQTZYLS-HXUWFJFHSA-N 1 1 417.553 4.235 20 30 HIEDMO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549329677 941180546 /nfs/dbraw/zinc/18/05/46/941180546.db2.gz XDUAWGWHQTZYLS-HXUWFJFHSA-N 1 1 417.553 4.235 20 30 HIEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000549452207 941191574 /nfs/dbraw/zinc/19/15/74/941191574.db2.gz YNAHPQYUOCMKNF-XDNSSPFJSA-N 1 1 400.530 4.108 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000549691141 941204686 /nfs/dbraw/zinc/20/46/86/941204686.db2.gz WOKCEVRDEVUDLS-HXUWFJFHSA-N 1 1 408.594 4.397 20 30 HIEDMO C=CCOc1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868145 941220701 /nfs/dbraw/zinc/22/07/01/941220701.db2.gz OVVUWTYKBNJFPY-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868145 941220710 /nfs/dbraw/zinc/22/07/10/941220710.db2.gz OVVUWTYKBNJFPY-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO Cc1ccc(C2CCN(CC#CC[NH+]3CCC(c4ccc(C)nc4)CC3)CC2)cn1 ZINC000551705284 941530198 /nfs/dbraw/zinc/53/01/98/941530198.db2.gz VRRKXIZOTKKYSF-UHFFFAOYSA-N 1 1 402.586 4.156 20 30 HIEDMO N#CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012148 941568413 /nfs/dbraw/zinc/56/84/13/941568413.db2.gz SGQYUUDUWXJFKU-HXUWFJFHSA-N 1 1 401.432 4.230 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000552102539 941585933 /nfs/dbraw/zinc/58/59/33/941585933.db2.gz DWTZDWBPUYHYKL-QGZVFWFLSA-N 1 1 423.395 4.186 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1OC ZINC000552133721 941591331 /nfs/dbraw/zinc/59/13/31/941591331.db2.gz QNOUQIMAHCMCMM-SFHVURJKSA-N 1 1 414.571 4.224 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000553890515 941991461 /nfs/dbraw/zinc/99/14/61/941991461.db2.gz WEIVULGMYBNBAM-JOCHJYFZSA-N 1 1 417.513 4.179 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000553890517 941992122 /nfs/dbraw/zinc/99/21/22/941992122.db2.gz WEIVULGMYBNBAM-QFIPXVFZSA-N 1 1 417.513 4.179 20 30 HIEDMO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000553993818 942015557 /nfs/dbraw/zinc/01/55/57/942015557.db2.gz IBXFFCFIWYLVCQ-UHFFFAOYSA-N 1 1 409.505 4.042 20 30 HIEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554748936 942219558 /nfs/dbraw/zinc/21/95/58/942219558.db2.gz FDHQBQXZDBFPGQ-WOVMCDHWSA-N 1 1 420.397 4.226 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000554835219 942274053 /nfs/dbraw/zinc/27/40/53/942274053.db2.gz PSCHXLHWCKXNKX-UHFFFAOYSA-N 1 1 423.517 4.113 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000554835219 942274061 /nfs/dbraw/zinc/27/40/61/942274061.db2.gz PSCHXLHWCKXNKX-UHFFFAOYSA-N 1 1 423.517 4.113 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)s1 ZINC000556829580 942937760 /nfs/dbraw/zinc/93/77/60/942937760.db2.gz PVJMAYYOMRCYLL-LJQANCHMSA-N 1 1 411.571 4.066 20 30 HIEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000556886094 942950804 /nfs/dbraw/zinc/95/08/04/942950804.db2.gz SNZIVSWKBXEGKH-UHFFFAOYSA-N 1 1 423.492 4.173 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000556971223 942984283 /nfs/dbraw/zinc/98/42/83/942984283.db2.gz NAXJAFOGFGTYTA-DHIUTWEWSA-N 1 1 421.516 4.078 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc(OC)c1O ZINC000557521536 943188469 /nfs/dbraw/zinc/18/84/69/943188469.db2.gz NUTZDEPBSLTXDI-FQEVSTJZSA-N 1 1 404.514 4.294 20 30 HIEDMO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000557640547 943243918 /nfs/dbraw/zinc/24/39/18/943243918.db2.gz KJGQCAQTZFXGGM-QFIPXVFZSA-N 1 1 403.917 4.222 20 30 HIEDMO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000559011940 943803438 /nfs/dbraw/zinc/80/34/38/943803438.db2.gz WSWMTCLMTGKJFX-OAQYLSRUSA-N 1 1 411.594 4.218 20 30 HIEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000559027923 943809202 /nfs/dbraw/zinc/80/92/02/943809202.db2.gz RKFIOQGIAVIACV-UHFFFAOYSA-N 1 1 415.557 4.129 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000559047754 943815068 /nfs/dbraw/zinc/81/50/68/943815068.db2.gz KQQMQSZBSZSFPD-HNNXBMFYSA-N 1 1 416.447 4.134 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC000559315671 943894793 /nfs/dbraw/zinc/89/47/93/943894793.db2.gz IQCRIVUNNMJRFW-UHFFFAOYSA-N 1 1 403.526 4.085 20 30 HIEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000561060226 944421492 /nfs/dbraw/zinc/42/14/92/944421492.db2.gz KSQAENDRQHMQNY-GOSISDBHSA-N 1 1 408.521 4.210 20 30 HIEDMO C[NH+](C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1 ZINC000561308974 944545309 /nfs/dbraw/zinc/54/53/09/944545309.db2.gz NKXCZDJLCTUTLN-NRFANRHFSA-N 1 1 415.896 4.023 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885645 /nfs/dbraw/zinc/88/56/45/944885645.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000561983069 944885650 /nfs/dbraw/zinc/88/56/50/944885650.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000561983069 944885655 /nfs/dbraw/zinc/88/56/55/944885655.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562024736 944899204 /nfs/dbraw/zinc/89/92/04/944899204.db2.gz MXHIRFIOYYXSBE-GCJKJVERSA-N 1 1 417.557 4.430 20 30 HIEDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc1 ZINC000562201162 945017164 /nfs/dbraw/zinc/01/71/64/945017164.db2.gz MZVAHIKGTZXSPR-UHFFFAOYSA-N 1 1 402.420 4.131 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243395 945039442 /nfs/dbraw/zinc/03/94/42/945039442.db2.gz IXPDVPMEOWNGCL-TZIWHRDSSA-N 1 1 423.532 4.424 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000565335518 945815389 /nfs/dbraw/zinc/81/53/89/945815389.db2.gz FQVQSPTVZUAWQM-LJQANCHMSA-N 1 1 409.555 4.204 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000565335518 945815390 /nfs/dbraw/zinc/81/53/90/945815390.db2.gz FQVQSPTVZUAWQM-LJQANCHMSA-N 1 1 409.555 4.204 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000567318916 946311728 /nfs/dbraw/zinc/31/17/28/946311728.db2.gz AQGBOWFVHFSSOA-KKSFZXQISA-N 1 1 423.582 4.455 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000567318916 946311744 /nfs/dbraw/zinc/31/17/44/946311744.db2.gz AQGBOWFVHFSSOA-KKSFZXQISA-N 1 1 423.582 4.455 20 30 HIEDMO C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640705 946628601 /nfs/dbraw/zinc/62/86/01/946628601.db2.gz GNHXBXVADTZJNV-ZIAGYGMSSA-N 1 1 402.589 4.408 20 30 HIEDMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640705 946628610 /nfs/dbraw/zinc/62/86/10/946628610.db2.gz GNHXBXVADTZJNV-ZIAGYGMSSA-N 1 1 402.589 4.408 20 30 HIEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568698079 946666319 /nfs/dbraw/zinc/66/63/19/946666319.db2.gz GEKKPPYLLVAYKY-UHFFFAOYSA-N 1 1 422.964 4.200 20 30 HIEDMO COC(=O)c1sc2ccccc2c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000569871586 947027477 /nfs/dbraw/zinc/02/74/77/947027477.db2.gz YQUYXJUBDSCCJW-UHFFFAOYSA-N 1 1 419.550 4.267 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570131290 947111153 /nfs/dbraw/zinc/11/11/53/947111153.db2.gz JGYSADGDRZRWGT-LIRRHRJNSA-N 1 1 404.848 4.304 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570131289 947111214 /nfs/dbraw/zinc/11/12/14/947111214.db2.gz JGYSADGDRZRWGT-KUHUBIRLSA-N 1 1 404.848 4.304 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000570220996 947147695 /nfs/dbraw/zinc/14/76/95/947147695.db2.gz YQMIAQNWCICLBG-UYAOXDASSA-N 1 1 407.533 4.392 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000570546601 947285271 /nfs/dbraw/zinc/28/52/71/947285271.db2.gz QYCPQKDFPLRPHD-OAHLLOKOSA-N 1 1 420.340 4.191 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000570546601 947285297 /nfs/dbraw/zinc/28/52/97/947285297.db2.gz QYCPQKDFPLRPHD-OAHLLOKOSA-N 1 1 420.340 4.191 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000570811211 947361173 /nfs/dbraw/zinc/36/11/73/947361173.db2.gz XCDUXOXKXXKSME-OAHLLOKOSA-N 1 1 416.447 4.276 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000571365794 947622894 /nfs/dbraw/zinc/62/28/94/947622894.db2.gz SZTNIOYWCQJZAY-DENIHFKCSA-N 1 1 402.546 4.188 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000574002836 948346160 /nfs/dbraw/zinc/34/61/60/948346160.db2.gz PDNPKYIFMCFCJP-GFCCVEGCSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000574002836 948346171 /nfs/dbraw/zinc/34/61/71/948346171.db2.gz PDNPKYIFMCFCJP-GFCCVEGCSA-N 1 1 400.338 4.125 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC3(CC(OCC)C3)C2)cc1OC ZINC000574082461 948361699 /nfs/dbraw/zinc/36/16/99/948361699.db2.gz SBKDCGSEMDQDLX-UHFFFAOYSA-N 1 1 410.352 4.414 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574386812 948430268 /nfs/dbraw/zinc/43/02/68/948430268.db2.gz GWRQJQXBQFBJIT-HUDNXNEVSA-N 1 1 408.933 4.259 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 ZINC000574562689 948476746 /nfs/dbraw/zinc/47/67/46/948476746.db2.gz CKHPBSMYRYWNQM-OAHLLOKOSA-N 1 1 404.310 4.299 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575089831 948589912 /nfs/dbraw/zinc/58/99/12/948589912.db2.gz OVWULYFDBUTDDQ-AEFFLSMTSA-N 1 1 422.454 4.482 20 30 HIEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628833 719089614 /nfs/dbraw/zinc/08/96/14/719089614.db2.gz OXGQIWUYJCALLE-APWZRJJASA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C#N)c(C)c1Cl ZINC001164695680 719886728 /nfs/dbraw/zinc/88/67/28/719886728.db2.gz QRKIVDBUJWFCAR-UHFFFAOYSA-N 1 1 416.978 4.156 20 30 HIEDMO N#Cc1ccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695706 719890566 /nfs/dbraw/zinc/89/05/66/719890566.db2.gz RVWOJAFAAWSKKO-UHFFFAOYSA-N 1 1 404.539 4.039 20 30 HIEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811697 720207487 /nfs/dbraw/zinc/20/74/87/720207487.db2.gz JSSHASXSVFVSHS-KOSHJBKYSA-N 1 1 424.976 4.253 20 30 HIEDMO Cc1cc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843234 720663742 /nfs/dbraw/zinc/66/37/42/720663742.db2.gz VRZVYZBHAVEXFH-IBGZPJMESA-N 1 1 410.949 4.175 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164786449 721440150 /nfs/dbraw/zinc/44/01/50/721440150.db2.gz VBKSQAJVUWZVON-HUUCEWRRSA-N 1 1 409.946 4.093 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164786439 721440206 /nfs/dbraw/zinc/44/02/06/721440206.db2.gz 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HIEDMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C ZINC000008152868 845481852 /nfs/dbraw/zinc/48/18/52/845481852.db2.gz CEGSBYFMTKAAED-UHFFFAOYSA-N 1 1 424.570 4.015 20 30 HIEDMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C ZINC000008152868 845481860 /nfs/dbraw/zinc/48/18/60/845481860.db2.gz CEGSBYFMTKAAED-UHFFFAOYSA-N 1 1 424.570 4.015 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000008532301 845535332 /nfs/dbraw/zinc/53/53/32/845535332.db2.gz WPZSDSUKLXJHKL-UHFFFAOYSA-N 1 1 404.489 4.235 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000008532301 845535336 /nfs/dbraw/zinc/53/53/36/845535336.db2.gz WPZSDSUKLXJHKL-UHFFFAOYSA-N 1 1 404.489 4.235 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000015366939 846041334 /nfs/dbraw/zinc/04/13/34/846041334.db2.gz UUSIOKCRLLWRPH-QHCPKHFHSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 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CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000026900179 847218808 /nfs/dbraw/zinc/21/88/08/847218808.db2.gz JTXOIOMKZQOZDQ-UHFFFAOYSA-N 1 1 403.548 4.266 20 30 HIEDMO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000026900179 847218822 /nfs/dbraw/zinc/21/88/22/847218822.db2.gz JTXOIOMKZQOZDQ-UHFFFAOYSA-N 1 1 403.548 4.266 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCOc1ccccc1Cl ZINC000027691561 847338752 /nfs/dbraw/zinc/33/87/52/847338752.db2.gz XKYHNABIMBXTNS-ZDUSSCGKSA-N 1 1 403.935 4.100 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCOc1ccccc1Cl ZINC000027691561 847338764 /nfs/dbraw/zinc/33/87/64/847338764.db2.gz XKYHNABIMBXTNS-ZDUSSCGKSA-N 1 1 403.935 4.100 20 30 HIEDMO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000029858917 847635971 /nfs/dbraw/zinc/63/59/71/847635971.db2.gz DAHZQWGBHTXOLF-UHFFFAOYSA-N 1 1 421.303 4.155 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 ZINC000029985247 847664462 /nfs/dbraw/zinc/66/44/62/847664462.db2.gz QGHJUFQPOVZKIB-UHFFFAOYSA-N 1 1 420.494 4.029 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 ZINC000029985247 847664471 /nfs/dbraw/zinc/66/44/71/847664471.db2.gz QGHJUFQPOVZKIB-UHFFFAOYSA-N 1 1 420.494 4.029 20 30 HIEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)cc1N(C)C ZINC000436483459 861819992 /nfs/dbraw/zinc/81/99/92/861819992.db2.gz CHWMHWZOJHXYHV-IBGZPJMESA-N 1 1 405.546 4.061 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000043134090 848387386 /nfs/dbraw/zinc/38/73/86/848387386.db2.gz HDODFUXKTRVKES-UHFFFAOYSA-N 1 1 413.319 4.061 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)cc1 ZINC000045014028 848623316 /nfs/dbraw/zinc/62/33/16/848623316.db2.gz TYPMHSNTJVIPHX-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)cc1 ZINC000045014028 848623320 /nfs/dbraw/zinc/62/33/20/848623320.db2.gz TYPMHSNTJVIPHX-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000046599331 848882699 /nfs/dbraw/zinc/88/26/99/848882699.db2.gz JRAGPTWIXFTAJM-AWEZNQCLSA-N 1 1 412.515 4.113 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000047257478 849015539 /nfs/dbraw/zinc/01/55/39/849015539.db2.gz CYQTYJQFIHKTEE-MRXNPFEDSA-N 1 1 400.482 4.164 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000047257478 849015547 /nfs/dbraw/zinc/01/55/47/849015547.db2.gz CYQTYJQFIHKTEE-MRXNPFEDSA-N 1 1 400.482 4.164 20 30 HIEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000047726405 849099095 /nfs/dbraw/zinc/09/90/95/849099095.db2.gz OPIMIXLIASWQFU-UHFFFAOYSA-N 1 1 401.457 4.030 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162381 849556524 /nfs/dbraw/zinc/55/65/24/849556524.db2.gz BAFWXXFVYRZXBE-QGZVFWFLSA-N 1 1 416.953 4.298 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162381 849556527 /nfs/dbraw/zinc/55/65/27/849556527.db2.gz BAFWXXFVYRZXBE-QGZVFWFLSA-N 1 1 416.953 4.298 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000052326152 849571928 /nfs/dbraw/zinc/57/19/28/849571928.db2.gz BNNBDFGLGNKJGG-AWEZNQCLSA-N 1 1 404.967 4.137 20 30 HIEDMO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000052496661 849589389 /nfs/dbraw/zinc/58/93/89/849589389.db2.gz MDPCSBGZKGHTMR-UHFFFAOYSA-N 1 1 417.535 4.159 20 30 HIEDMO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000052496661 849589394 /nfs/dbraw/zinc/58/93/94/849589394.db2.gz MDPCSBGZKGHTMR-UHFFFAOYSA-N 1 1 417.535 4.159 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000053073760 849661937 /nfs/dbraw/zinc/66/19/37/849661937.db2.gz XBHOJTHRSHZGHN-UHFFFAOYSA-N 1 1 400.482 4.166 20 30 HIEDMO C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1SCC#N ZINC000053681221 849745647 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30 HIEDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477627 851113753 /nfs/dbraw/zinc/11/37/53/851113753.db2.gz YLFBWWLWHPHNQG-MRXNPFEDSA-N 1 1 401.457 4.201 20 30 HIEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000061001693 851270135 /nfs/dbraw/zinc/27/01/35/851270135.db2.gz AZZJUIFIQMTERZ-UHFFFAOYSA-N 1 1 414.347 4.191 20 30 HIEDMO CC[C@H](C)Oc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063164590 851626389 /nfs/dbraw/zinc/62/63/89/851626389.db2.gz XZNWQYGLEYVGEV-IBGZPJMESA-N 1 1 406.530 4.475 20 30 HIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000063549460 851713198 /nfs/dbraw/zinc/71/31/98/851713198.db2.gz SZXAOWDNWMZVQI-KRWDZBQOSA-N 1 1 409.555 4.153 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619563 851726076 /nfs/dbraw/zinc/72/60/76/851726076.db2.gz XYITXOFTDCZXMB-QHCPKHFHSA-N 1 1 422.573 4.406 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619563 851726082 /nfs/dbraw/zinc/72/60/82/851726082.db2.gz XYITXOFTDCZXMB-QHCPKHFHSA-N 1 1 422.573 4.406 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000065519957 852165427 /nfs/dbraw/zinc/16/54/27/852165427.db2.gz YREVHNAJVRKZDE-OAQYLSRUSA-N 1 1 406.530 4.183 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(Br)ccc3F)CC2)cc1 ZINC000065532584 852169196 /nfs/dbraw/zinc/16/91/96/852169196.db2.gz XKWIWYRXVYSBBH-UHFFFAOYSA-N 1 1 402.311 4.168 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956387 852332166 /nfs/dbraw/zinc/33/21/66/852332166.db2.gz SVHVFZBODHBQRS-LJQANCHMSA-N 1 1 408.521 4.062 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(OC(F)F)c1 ZINC000437157518 862349715 /nfs/dbraw/zinc/34/97/15/862349715.db2.gz TYTWXMQDXFOHMS-UHFFFAOYSA-N 1 1 409.440 4.324 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(-c4ccccc4F)n3)CC2)cc1 ZINC000109108970 852923556 /nfs/dbraw/zinc/92/35/56/852923556.db2.gz FRDBVAAVEYSNMQ-UHFFFAOYSA-N 1 1 420.513 4.169 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(-c4ccccc4F)n3)CC2)cc1 ZINC000109108970 852923566 /nfs/dbraw/zinc/92/35/66/852923566.db2.gz FRDBVAAVEYSNMQ-UHFFFAOYSA-N 1 1 420.513 4.169 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000110982130 853178757 /nfs/dbraw/zinc/17/87/57/853178757.db2.gz UFJLKEYZGSQFBP-UHFFFAOYSA-N 1 1 400.482 4.166 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046271 853193236 /nfs/dbraw/zinc/19/32/36/853193236.db2.gz IRBXLSXIYOKKCX-JOCHJYFZSA-N 1 1 404.539 4.131 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523616 853231382 /nfs/dbraw/zinc/23/13/82/853231382.db2.gz NKEMAUBRTYWASP-HSZRJFAPSA-N 1 1 404.558 4.263 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1C#N ZINC000138860244 853397978 /nfs/dbraw/zinc/39/79/78/853397978.db2.gz OSOUEBMPPJEESE-QFIPXVFZSA-N 1 1 418.497 4.099 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1C#N ZINC000138860244 853397984 /nfs/dbraw/zinc/39/79/84/853397984.db2.gz OSOUEBMPPJEESE-QFIPXVFZSA-N 1 1 418.497 4.099 20 30 HIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000216813410 853858837 /nfs/dbraw/zinc/85/88/37/853858837.db2.gz DHYHFUFOPZHCSJ-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000236974064 853945394 /nfs/dbraw/zinc/94/53/94/853945394.db2.gz MYGMIZRFVLGNPU-UHFFFAOYSA-N 1 1 413.481 4.472 20 30 HIEDMO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237635579 854065578 /nfs/dbraw/zinc/06/55/78/854065578.db2.gz QAMHDVCRKDPVCF-SFTDATJTSA-N 1 1 407.558 4.268 20 30 HIEDMO FC(F)n1ccnc1C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000237678549 854073843 /nfs/dbraw/zinc/07/38/43/854073843.db2.gz IIIYGTFWLYPQIC-GFCCVEGCSA-N 1 1 403.273 4.440 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cc1 ZINC000301894112 854487134 /nfs/dbraw/zinc/48/71/34/854487134.db2.gz WTDVZTKCGJZLLH-UHFFFAOYSA-N 1 1 413.481 4.241 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(Br)cc3Cl)CC2)cc1 ZINC000302769057 854629072 /nfs/dbraw/zinc/62/90/72/854629072.db2.gz ZMDFYGOKJLCKHJ-UHFFFAOYSA-N 1 1 405.727 4.081 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(Br)cc3Cl)CC2)cc1 ZINC000302769057 854629077 /nfs/dbraw/zinc/62/90/77/854629077.db2.gz ZMDFYGOKJLCKHJ-UHFFFAOYSA-N 1 1 405.727 4.081 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000302838190 854650693 /nfs/dbraw/zinc/65/06/93/854650693.db2.gz QLRBYDPDEDDTNA-MRXNPFEDSA-N 1 1 400.320 4.216 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000302838190 854650697 /nfs/dbraw/zinc/65/06/97/854650697.db2.gz QLRBYDPDEDDTNA-MRXNPFEDSA-N 1 1 400.320 4.216 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000302838188 854650843 /nfs/dbraw/zinc/65/08/43/854650843.db2.gz QLRBYDPDEDDTNA-INIZCTEOSA-N 1 1 400.320 4.216 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000302838188 854650846 /nfs/dbraw/zinc/65/08/46/854650846.db2.gz QLRBYDPDEDDTNA-INIZCTEOSA-N 1 1 400.320 4.216 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c2ccccc21 ZINC000302913834 854677207 /nfs/dbraw/zinc/67/72/07/854677207.db2.gz UPTGNJBEEDNVET-UHFFFAOYSA-N 1 1 401.510 4.419 20 30 HIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303235759 854829385 /nfs/dbraw/zinc/82/93/85/854829385.db2.gz ZHDRRIAUMMAXHC-FQEVSTJZSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303235759 854829391 /nfs/dbraw/zinc/82/93/91/854829391.db2.gz ZHDRRIAUMMAXHC-FQEVSTJZSA-N 1 1 416.443 4.019 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000303502846 854991848 /nfs/dbraw/zinc/99/18/48/854991848.db2.gz VIEACYBVDNTPNW-WOJBJXKFSA-N 1 1 422.598 4.226 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000303863067 855257925 /nfs/dbraw/zinc/25/79/25/855257925.db2.gz WUFQODYRZYZNDP-LOSJGSFVSA-N 1 1 416.569 4.187 20 30 HIEDMO C[C@H](NC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1)c1ccccc1 ZINC000304759446 855357501 /nfs/dbraw/zinc/35/75/01/855357501.db2.gz RFZAMSVUFWPVJW-SFHVURJKSA-N 1 1 408.546 4.238 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437533565 862870687 /nfs/dbraw/zinc/87/06/87/862870687.db2.gz CDWYNJUHCRUYIE-CTNGQTDRSA-N 1 1 423.582 4.210 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437533565 862870689 /nfs/dbraw/zinc/87/06/89/862870689.db2.gz CDWYNJUHCRUYIE-CTNGQTDRSA-N 1 1 423.582 4.210 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546144 862878167 /nfs/dbraw/zinc/87/81/67/862878167.db2.gz FOMSQOMVTDUXQI-YJBOKZPZSA-N 1 1 407.461 4.451 20 30 HIEDMO N#CCCn1ncc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1-c1ccccc1 ZINC000428340672 857162103 /nfs/dbraw/zinc/16/21/03/857162103.db2.gz KVQAJBPVNCXQEO-OAQYLSRUSA-N 1 1 417.513 4.014 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794958 857343987 /nfs/dbraw/zinc/34/39/87/857343987.db2.gz PCZZAQBTTNQTLX-JPYJTQIMSA-N 1 1 412.493 4.420 20 30 HIEDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000429274403 857586650 /nfs/dbraw/zinc/58/66/50/857586650.db2.gz PFAXRKDLVGBPHO-HXUWFJFHSA-N 1 1 410.587 4.038 20 30 HIEDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000429274403 857586653 /nfs/dbraw/zinc/58/66/53/857586653.db2.gz PFAXRKDLVGBPHO-HXUWFJFHSA-N 1 1 410.587 4.038 20 30 HIEDMO C=CCn1c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124060 858042316 /nfs/dbraw/zinc/04/23/16/858042316.db2.gz RMKUQFWULPOSAG-FQEVSTJZSA-N 1 1 424.570 4.416 20 30 HIEDMO C=CCOc1ccc(C[N@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc1Cl ZINC000430194268 858076715 /nfs/dbraw/zinc/07/67/15/858076715.db2.gz ISDBDFHOGLRBOI-UHFFFAOYSA-N 1 1 419.978 4.374 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000430742170 858283623 /nfs/dbraw/zinc/28/36/23/858283623.db2.gz OCJLQANLMLOZPB-QFBILLFUSA-N 1 1 420.582 4.335 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275102 859079263 /nfs/dbraw/zinc/07/92/63/859079263.db2.gz ALJGBPDPWNXQAM-GOSISDBHSA-N 1 1 402.420 4.282 20 30 HIEDMO N#CCCC[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000433016794 859479822 /nfs/dbraw/zinc/47/98/22/859479822.db2.gz URRGVVYSJLXDGW-SFHVURJKSA-N 1 1 400.408 4.206 20 30 HIEDMO CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)C2)cc1 ZINC000433056647 859504885 /nfs/dbraw/zinc/50/48/85/859504885.db2.gz DKYQZSAKBTZHKS-QFIPXVFZSA-N 1 1 422.573 4.004 20 30 HIEDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)C2)cc1 ZINC000433056647 859504891 /nfs/dbraw/zinc/50/48/91/859504891.db2.gz DKYQZSAKBTZHKS-QFIPXVFZSA-N 1 1 422.573 4.004 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1C#N ZINC000433076283 859512082 /nfs/dbraw/zinc/51/20/82/859512082.db2.gz NHHZFAPWROECBJ-OAQYLSRUSA-N 1 1 416.525 4.436 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1C#N ZINC000433076283 859512085 /nfs/dbraw/zinc/51/20/85/859512085.db2.gz NHHZFAPWROECBJ-OAQYLSRUSA-N 1 1 416.525 4.436 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304900 859627790 /nfs/dbraw/zinc/62/77/90/859627790.db2.gz OJKACNHARUUFBM-QGZVFWFLSA-N 1 1 423.314 4.435 20 30 HIEDMO N#CCCn1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccncc2)n1 ZINC000433339441 859653439 /nfs/dbraw/zinc/65/34/39/859653439.db2.gz LHXYTVIMKLJMRG-JOCHJYFZSA-N 1 1 415.545 4.338 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433462885 859713658 /nfs/dbraw/zinc/71/36/58/859713658.db2.gz MMKWFLAPBRAWRO-IBGZPJMESA-N 1 1 422.529 4.281 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690247 881483878 /nfs/dbraw/zinc/48/38/78/881483878.db2.gz COCQLABXQKSCOL-PGRDOPGGSA-N 1 1 412.493 4.138 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467697277 881492302 /nfs/dbraw/zinc/49/23/02/881492302.db2.gz RMQXIDAJCDZPIM-GCJKJVERSA-N 1 1 415.493 4.123 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434759889 860484455 /nfs/dbraw/zinc/48/44/55/860484455.db2.gz XMYANFJTLIYKCC-UHFFFAOYSA-N 1 1 410.587 4.316 20 30 HIEDMO COC(=O)[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000434856595 860525533 /nfs/dbraw/zinc/52/55/33/860525533.db2.gz CUZUQKZRLJKLQA-XMMPIXPASA-N 1 1 405.542 4.327 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000434897208 860542156 /nfs/dbraw/zinc/54/21/56/860542156.db2.gz UYLXEHLBWYVGIG-UGKGYDQZSA-N 1 1 416.525 4.434 20 30 HIEDMO CC1CCC([N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000435128050 860653809 /nfs/dbraw/zinc/65/38/09/860653809.db2.gz BETDLNFUDPLSJX-HXJXPZHGSA-N 1 1 407.562 4.418 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c(-c2ccncc2)n1 ZINC000435129983 860654566 /nfs/dbraw/zinc/65/45/66/860654566.db2.gz PABHHYVPMRHWKQ-UHFFFAOYSA-N 1 1 415.541 4.288 20 30 HIEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000437883301 863247244 /nfs/dbraw/zinc/24/72/44/863247244.db2.gz MVUHGDUNSNPGQN-QFIPXVFZSA-N 1 1 419.529 4.149 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@H+]1C ZINC000437960105 863332171 /nfs/dbraw/zinc/33/21/71/863332171.db2.gz HWQOEKMRZLIQRY-DNVCBOLYSA-N 1 1 412.921 4.395 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438208114 863641691 /nfs/dbraw/zinc/64/16/91/863641691.db2.gz AUFNFOWOZKLPCM-APWZRJJASA-N 1 1 408.502 4.306 20 30 HIEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000438644061 864081153 /nfs/dbraw/zinc/08/11/53/864081153.db2.gz VPOFRMXGQAAJLV-LBPRGKRZSA-N 1 1 408.449 4.207 20 30 HIEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000438644061 864081167 /nfs/dbraw/zinc/08/11/67/864081167.db2.gz VPOFRMXGQAAJLV-LBPRGKRZSA-N 1 1 408.449 4.207 20 30 HIEDMO N#CCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000438834625 864327960 /nfs/dbraw/zinc/32/79/60/864327960.db2.gz INIFXERBWUOVRD-JOCHJYFZSA-N 1 1 412.484 4.273 20 30 HIEDMO CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438844521 864338539 /nfs/dbraw/zinc/33/85/39/864338539.db2.gz XBJYWXMAFHEZJN-KMDXXIMOSA-N 1 1 420.557 4.010 20 30 HIEDMO CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438844521 864338551 /nfs/dbraw/zinc/33/85/51/864338551.db2.gz XBJYWXMAFHEZJN-KMDXXIMOSA-N 1 1 420.557 4.010 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000439281850 864700935 /nfs/dbraw/zinc/70/09/35/864700935.db2.gz HMOQLSOPZKOGGT-JOCHJYFZSA-N 1 1 412.578 4.311 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439281855 864701369 /nfs/dbraw/zinc/70/13/69/864701369.db2.gz HMOQLSOPZKOGGT-QFIPXVFZSA-N 1 1 412.578 4.311 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439295408 864719824 /nfs/dbraw/zinc/71/98/24/864719824.db2.gz NEVLHPTZMGHOPT-KXBFYZLASA-N 1 1 401.576 4.107 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3ccc(F)cc3C2)c1C#N ZINC000441006453 866077574 /nfs/dbraw/zinc/07/75/74/866077574.db2.gz BVKPQJGMNWXLAK-UHFFFAOYSA-N 1 1 420.488 4.144 20 30 HIEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C1(C#N)CCCCC1 ZINC000441114955 866210966 /nfs/dbraw/zinc/21/09/66/866210966.db2.gz NMGPFJHLUMYZOF-CQSZACIVSA-N 1 1 414.497 4.026 20 30 HIEDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C1(C#N)CCCCC1 ZINC000441114955 866210992 /nfs/dbraw/zinc/21/09/92/866210992.db2.gz NMGPFJHLUMYZOF-CQSZACIVSA-N 1 1 414.497 4.026 20 30 HIEDMO CC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000441229817 866305608 /nfs/dbraw/zinc/30/56/08/866305608.db2.gz JINIYHINKPRCQX-HNNXBMFYSA-N 1 1 422.485 4.217 20 30 HIEDMO CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000441229817 866305623 /nfs/dbraw/zinc/30/56/23/866305623.db2.gz JINIYHINKPRCQX-HNNXBMFYSA-N 1 1 422.485 4.217 20 30 HIEDMO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)(F)F ZINC000442058935 867091057 /nfs/dbraw/zinc/09/10/57/867091057.db2.gz YGEFADQAZJQSQS-INIZCTEOSA-N 1 1 418.419 4.100 20 30 HIEDMO COc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1C#N ZINC000443066475 867808220 /nfs/dbraw/zinc/80/82/20/867808220.db2.gz JVFFYPIGISVNTB-HYBUGGRVSA-N 1 1 400.482 4.171 20 30 HIEDMO COc1ccc([C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443470551 868057655 /nfs/dbraw/zinc/05/76/55/868057655.db2.gz VYQOYJOHOUDCLI-XMMPIXPASA-N 1 1 421.541 4.068 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444167019 868645651 /nfs/dbraw/zinc/64/56/51/868645651.db2.gz CXCVDWMPAAHVBQ-PZJWPPBQSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444167019 868645658 /nfs/dbraw/zinc/64/56/58/868645658.db2.gz CXCVDWMPAAHVBQ-PZJWPPBQSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000444169923 868647337 /nfs/dbraw/zinc/64/73/37/868647337.db2.gz LYVLRUBAGUSRBL-DLBZAZTESA-N 1 1 402.608 4.022 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444204397 868664800 /nfs/dbraw/zinc/66/48/00/868664800.db2.gz IGHBZLJKJLWLCN-HKUYNNGSSA-N 1 1 401.576 4.443 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444640049 868925217 /nfs/dbraw/zinc/92/52/17/868925217.db2.gz MUOAIDUICDKMSW-JOCHJYFZSA-N 1 1 401.554 4.221 20 30 HIEDMO CS(=O)(=O)C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000444673258 868950257 /nfs/dbraw/zinc/95/02/57/868950257.db2.gz HNCBRXBPCMNZCK-DEOSSOPVSA-N 1 1 418.562 4.262 20 30 HIEDMO Cn1cc([C@H]2CSCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000444695037 868961273 /nfs/dbraw/zinc/96/12/73/868961273.db2.gz LEMOVUBRELEDQV-HSZRJFAPSA-N 1 1 402.567 4.410 20 30 HIEDMO Cn1cc([C@H]2CSCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000444695037 868961278 /nfs/dbraw/zinc/96/12/78/868961278.db2.gz LEMOVUBRELEDQV-HSZRJFAPSA-N 1 1 402.567 4.410 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000447842764 871767137 /nfs/dbraw/zinc/76/71/37/871767137.db2.gz CUWZCCZXGDHRCC-OXJNMPFZSA-N 1 1 400.567 4.046 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000447842764 871767173 /nfs/dbraw/zinc/76/71/73/871767173.db2.gz CUWZCCZXGDHRCC-OXJNMPFZSA-N 1 1 400.567 4.046 20 30 HIEDMO CCCn1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC000468543066 882579910 /nfs/dbraw/zinc/57/99/10/882579910.db2.gz PVNNODZRFVFKMT-UHFFFAOYSA-N 1 1 400.526 4.271 20 30 HIEDMO CCCn1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC000468543066 882579940 /nfs/dbraw/zinc/57/99/40/882579940.db2.gz PVNNODZRFVFKMT-UHFFFAOYSA-N 1 1 400.526 4.271 20 30 HIEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000448261409 872184789 /nfs/dbraw/zinc/18/47/89/872184789.db2.gz PPWNRWRSUIMEKQ-UHFFFAOYSA-N 1 1 400.482 4.179 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](Nc4cccc(Br)c4)C3)n2c1 ZINC000448359947 872308742 /nfs/dbraw/zinc/30/87/42/872308742.db2.gz QGLJRJWLTLORDK-SFHVURJKSA-N 1 1 410.319 4.045 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460379385 873017882 /nfs/dbraw/zinc/01/78/82/873017882.db2.gz HNSCHKFOZIDTLK-ICSRJNTNSA-N 1 1 406.578 4.235 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460781276 873636165 /nfs/dbraw/zinc/63/61/65/873636165.db2.gz JAYDXMRVMJDRFU-HBFSDRIKSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460782263 873638816 /nfs/dbraw/zinc/63/88/16/873638816.db2.gz AUISUXUYNVXTDY-DENIHFKCSA-N 1 1 419.577 4.016 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460805431 873681059 /nfs/dbraw/zinc/68/10/59/873681059.db2.gz MMSGPVZVRCSPDA-UHFFFAOYSA-N 1 1 422.964 4.282 20 30 HIEDMO N#CCC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460936923 873838323 /nfs/dbraw/zinc/83/83/23/873838323.db2.gz ZYUDUSOYSQDTPF-VXNXHJTFSA-N 1 1 402.542 4.195 20 30 HIEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460955213 873852711 /nfs/dbraw/zinc/85/27/11/873852711.db2.gz DKNXNKUTQVPVGG-ROUUACIJSA-N 1 1 415.607 4.074 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000461266895 874275388 /nfs/dbraw/zinc/27/53/88/874275388.db2.gz YIHMRPGCPPLULY-OAQYLSRUSA-N 1 1 407.562 4.027 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461492676 874560434 /nfs/dbraw/zinc/56/04/34/874560434.db2.gz YUODDBGORNPCFV-YLJYHZDGSA-N 1 1 420.586 4.236 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836010 882882998 /nfs/dbraw/zinc/88/29/98/882882998.db2.gz GAYHQIDWLXTJEB-PXNSSMCTSA-N 1 1 407.539 4.423 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951846 875082075 /nfs/dbraw/zinc/08/20/75/875082075.db2.gz DCCWMYQVIBKYOR-RWQQGDIJSA-N 1 1 408.468 4.080 20 30 HIEDMO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189820 875295722 /nfs/dbraw/zinc/29/57/22/875295722.db2.gz PHQFXEDBYZKOSX-YADHBBJMSA-N 1 1 415.509 4.174 20 30 HIEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000462413996 875520760 /nfs/dbraw/zinc/52/07/60/875520760.db2.gz YKWCAJZWIWSSQP-RFLWCCGPSA-N 1 1 409.533 4.446 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000468947115 883013297 /nfs/dbraw/zinc/01/32/97/883013297.db2.gz JTHRKGGAYAOUNL-CHWSQXEVSA-N 1 1 402.292 4.007 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000468947489 883013356 /nfs/dbraw/zinc/01/33/56/883013356.db2.gz JTHRKGGAYAOUNL-QWHCGFSZSA-N 1 1 402.292 4.007 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248315 876306041 /nfs/dbraw/zinc/30/60/41/876306041.db2.gz SYNOWOZMYNHHSR-ZVGUJKQYSA-N 1 1 404.482 4.130 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248314 876306731 /nfs/dbraw/zinc/30/67/31/876306731.db2.gz SYNOWOZMYNHHSR-OXTHUFEASA-N 1 1 404.482 4.130 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2)c1 ZINC000464322810 877510924 /nfs/dbraw/zinc/51/09/24/877510924.db2.gz CNNKUYLQUNAMOF-QHCPKHFHSA-N 1 1 403.526 4.132 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c(Br)c1 ZINC000503271381 912254954 /nfs/dbraw/zinc/25/49/54/912254954.db2.gz WXFQIOLCWJXFGI-FQEVSTJZSA-N 1 1 408.299 4.014 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763265 878004355 /nfs/dbraw/zinc/00/43/55/878004355.db2.gz ALKLHZTYZIDQKR-UXHICEINSA-N 1 1 423.582 4.445 20 30 HIEDMO C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000464828439 878082315 /nfs/dbraw/zinc/08/23/15/878082315.db2.gz FYPSCTHRBJGNEK-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000464828439 878082337 /nfs/dbraw/zinc/08/23/37/878082337.db2.gz FYPSCTHRBJGNEK-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000464828439 878082357 /nfs/dbraw/zinc/08/23/57/878082357.db2.gz FYPSCTHRBJGNEK-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000464828438 878083296 /nfs/dbraw/zinc/08/32/96/878083296.db2.gz FYPSCTHRBJGNEK-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000464828438 878083312 /nfs/dbraw/zinc/08/33/12/878083312.db2.gz FYPSCTHRBJGNEK-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000464828438 878083331 /nfs/dbraw/zinc/08/33/31/878083331.db2.gz FYPSCTHRBJGNEK-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000464835347 878094218 /nfs/dbraw/zinc/09/42/18/878094218.db2.gz HYYGFYXPNFRXCO-HSZRJFAPSA-N 1 1 418.585 4.147 20 30 HIEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000465152340 878531794 /nfs/dbraw/zinc/53/17/94/878531794.db2.gz CLMIBCGVLKHWPP-JOCHJYFZSA-N 1 1 420.557 4.431 20 30 HIEDMO COc1cc(C2(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CCC2)ccc1C ZINC000503405264 912383786 /nfs/dbraw/zinc/38/37/86/912383786.db2.gz MHJYQNBATXUGIY-UHFFFAOYSA-N 1 1 417.553 4.032 20 30 HIEDMO COc1cc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CCC2)ccc1C ZINC000503405264 912383790 /nfs/dbraw/zinc/38/37/90/912383790.db2.gz MHJYQNBATXUGIY-UHFFFAOYSA-N 1 1 417.553 4.032 20 30 HIEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000466062669 879760827 /nfs/dbraw/zinc/76/08/27/879760827.db2.gz CFKQBLPNEFMWLB-UHFFFAOYSA-N 1 1 416.909 4.094 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000466608346 880378198 /nfs/dbraw/zinc/37/81/98/880378198.db2.gz HOYAMALCMQKKGH-TZIWHRDSSA-N 1 1 421.545 4.186 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1Cc1ccccc1 ZINC000467043889 880838987 /nfs/dbraw/zinc/83/89/87/880838987.db2.gz HFAQZTSHCNSGIY-WIYYLYMNSA-N 1 1 415.493 4.123 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1Br ZINC000467060368 880846663 /nfs/dbraw/zinc/84/66/63/880846663.db2.gz RIFPKDUCYLJMOR-UHFFFAOYSA-N 1 1 416.319 4.178 20 30 HIEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000467296917 881042356 /nfs/dbraw/zinc/04/23/56/881042356.db2.gz KPPQGONOWOWBST-UHFFFAOYSA-N 1 1 405.420 4.404 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469225386 883325352 /nfs/dbraw/zinc/32/53/52/883325352.db2.gz RWSJFXYYQQBQNO-GCJKJVERSA-N 1 1 414.509 4.338 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469990166 884206756 /nfs/dbraw/zinc/20/67/56/884206756.db2.gz HVEUBAOICOZSAY-GFCCVEGCSA-N 1 1 423.460 4.466 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469990166 884206775 /nfs/dbraw/zinc/20/67/75/884206775.db2.gz HVEUBAOICOZSAY-GFCCVEGCSA-N 1 1 423.460 4.466 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000470212289 884532958 /nfs/dbraw/zinc/53/29/58/884532958.db2.gz SOWRQWUOOJZESN-FQEVSTJZSA-N 1 1 411.933 4.125 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C[C@H]1CCCCO1 ZINC000470419377 884822116 /nfs/dbraw/zinc/82/21/16/884822116.db2.gz QFLAVCWUGKXCLD-OAQYLSRUSA-N 1 1 424.549 4.220 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1C ZINC000470534231 884934553 /nfs/dbraw/zinc/93/45/53/884934553.db2.gz ZLMSOSLWCJBAHZ-OAQYLSRUSA-N 1 1 420.557 4.055 20 30 HIEDMO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470871772 885359145 /nfs/dbraw/zinc/35/91/45/885359145.db2.gz GBWHEKNIZIUHBM-HXUWFJFHSA-N 1 1 401.470 4.115 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000471236780 885811644 /nfs/dbraw/zinc/81/16/44/885811644.db2.gz RXBYEZZWSZZYMZ-VGOFRKELSA-N 1 1 413.610 4.082 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000504309891 913158479 /nfs/dbraw/zinc/15/84/79/913158479.db2.gz LOKBQXOJXZQLSR-FGZHOGPDSA-N 1 1 404.514 4.080 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000504385726 913211130 /nfs/dbraw/zinc/21/11/30/913211130.db2.gz YGMHFAHEBRCRHD-IBGZPJMESA-N 1 1 421.541 4.103 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473437962 888158994 /nfs/dbraw/zinc/15/89/94/888158994.db2.gz BQCNTGQXEZYJRI-DEOSSOPVSA-N 1 1 421.516 4.122 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473437962 888159002 /nfs/dbraw/zinc/15/90/02/888159002.db2.gz BQCNTGQXEZYJRI-DEOSSOPVSA-N 1 1 421.516 4.122 20 30 HIEDMO CC[N@H+](CCOc1cc(Br)c(OC)cc1Br)C[C@@H](C)C#N ZINC000475530785 890453729 /nfs/dbraw/zinc/45/37/29/890453729.db2.gz OCLRRLBXKHPFCE-NSHDSACASA-N 1 1 420.145 4.081 20 30 HIEDMO CC[N@@H+](CCOc1cc(Br)c(OC)cc1Br)C[C@@H](C)C#N ZINC000475530785 890453734 /nfs/dbraw/zinc/45/37/34/890453734.db2.gz OCLRRLBXKHPFCE-NSHDSACASA-N 1 1 420.145 4.081 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475684613 890625164 /nfs/dbraw/zinc/62/51/64/890625164.db2.gz BWAKURHCTCMHOZ-CYFREDJKSA-N 1 1 423.582 4.089 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000504825125 913541971 /nfs/dbraw/zinc/54/19/71/913541971.db2.gz HMTREUPSKVFKIY-CYFREDJKSA-N 1 1 400.526 4.020 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 ZINC000476832666 891813457 /nfs/dbraw/zinc/81/34/57/891813457.db2.gz RZANLMZCQFPJLJ-VGOFRKELSA-N 1 1 424.520 4.470 20 30 HIEDMO C=C(C)[C@H](NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477046634 891974014 /nfs/dbraw/zinc/97/40/14/891974014.db2.gz WEDNMTPZVFZVSB-NDXORKPFSA-N 1 1 409.521 4.018 20 30 HIEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477288429 892246362 /nfs/dbraw/zinc/24/63/62/892246362.db2.gz GHQOJDPEBFUPMO-HSZRJFAPSA-N 1 1 408.521 4.284 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477533584 892564056 /nfs/dbraw/zinc/56/40/56/892564056.db2.gz BXTLZIWCQMWKTO-UHFFFAOYSA-N 1 1 411.571 4.127 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477533584 892564086 /nfs/dbraw/zinc/56/40/86/892564086.db2.gz BXTLZIWCQMWKTO-UHFFFAOYSA-N 1 1 411.571 4.127 20 30 HIEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000477754793 892846197 /nfs/dbraw/zinc/84/61/97/892846197.db2.gz KTVSDOWDFMBIER-UHFFFAOYSA-N 1 1 407.562 4.115 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000477946545 893035800 /nfs/dbraw/zinc/03/58/00/893035800.db2.gz YXZRRFXDYABQNT-VWLOTQADSA-N 1 1 418.541 4.475 20 30 HIEDMO Cn1cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000478197662 893360750 /nfs/dbraw/zinc/36/07/50/893360750.db2.gz NWWDHQJRDAGJGA-UHFFFAOYSA-N 1 1 413.550 4.490 20 30 HIEDMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000478253707 893428504 /nfs/dbraw/zinc/42/85/04/893428504.db2.gz MZWYSNYDFWVBLH-HNNXBMFYSA-N 1 1 400.511 4.328 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000478587723 893862565 /nfs/dbraw/zinc/86/25/65/893862565.db2.gz AMDDWKPFOKUILM-IBGZPJMESA-N 1 1 412.578 4.111 20 30 HIEDMO CCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(CC)CC ZINC000478735644 894011296 /nfs/dbraw/zinc/01/12/96/894011296.db2.gz BLFDUDPQYVPXAK-UHFFFAOYSA-N 1 1 407.562 4.026 20 30 HIEDMO CCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(CC)CC ZINC000478735644 894011317 /nfs/dbraw/zinc/01/13/17/894011317.db2.gz BLFDUDPQYVPXAK-UHFFFAOYSA-N 1 1 407.562 4.026 20 30 HIEDMO N#CC1(NC(=O)c2cc(-c3ccccc3)ns2)CC[NH+](Cc2ccccc2)CC1 ZINC000479319396 894609026 /nfs/dbraw/zinc/60/90/26/894609026.db2.gz UJOHTTHOZIQREB-UHFFFAOYSA-N 1 1 402.523 4.098 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480061709 895408223 /nfs/dbraw/zinc/40/82/23/895408223.db2.gz PSDQJYLPQVFCDY-OAHLLOKOSA-N 1 1 401.352 4.346 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000480247462 895658697 /nfs/dbraw/zinc/65/86/97/895658697.db2.gz BCKHLRJIVJDYDI-QFIPXVFZSA-N 1 1 403.574 4.453 20 30 HIEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000480889560 896246073 /nfs/dbraw/zinc/24/60/73/896246073.db2.gz OYDSJPIRTMKPFF-OAQYLSRUSA-N 1 1 411.933 4.454 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1)CC(F)(F)F ZINC000481118601 896444866 /nfs/dbraw/zinc/44/48/66/896444866.db2.gz PTXGGHPSFNTVLN-AWEZNQCLSA-N 1 1 404.274 4.027 20 30 HIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc(OC)c1OC ZINC000481298357 896641551 /nfs/dbraw/zinc/64/15/51/896641551.db2.gz BKPGVEPAFFAJOL-GFCCVEGCSA-N 1 1 405.292 4.197 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481584276 896964558 /nfs/dbraw/zinc/96/45/58/896964558.db2.gz DZPJBIBSYVBCPT-OYHNWAKOSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481617688 896999905 /nfs/dbraw/zinc/99/99/05/896999905.db2.gz WHFLHRDIIJDOLI-BLVKFPJESA-N 1 1 405.401 4.116 20 30 HIEDMO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000481792570 897172873 /nfs/dbraw/zinc/17/28/73/897172873.db2.gz FHVSQMAWKDMYNA-MRXNPFEDSA-N 1 1 404.470 4.221 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000481926847 897310813 /nfs/dbraw/zinc/31/08/13/897310813.db2.gz WDDCDWVICGXGNK-IFMALSPDSA-N 1 1 421.545 4.223 20 30 HIEDMO N#CC1(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000482667790 898269528 /nfs/dbraw/zinc/26/95/28/898269528.db2.gz BQPXQPAQIBCVFN-UHFFFAOYSA-N 1 1 420.900 4.283 20 30 HIEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000483025953 898686389 /nfs/dbraw/zinc/68/63/89/898686389.db2.gz ZFNJKYIUHGWLRU-HSZRJFAPSA-N 1 1 400.567 4.311 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000505583627 914291562 /nfs/dbraw/zinc/29/15/62/914291562.db2.gz DINKWYKHOPDJES-UNMCSNQZSA-N 1 1 419.569 4.161 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CC2CC2)CC2CCC2)c1C#N ZINC000483261106 898902465 /nfs/dbraw/zinc/90/24/65/898902465.db2.gz LXRBCSRICAFCIU-UHFFFAOYSA-N 1 1 408.546 4.459 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000505634864 914334277 /nfs/dbraw/zinc/33/42/77/914334277.db2.gz MRWIPLPOECLSCF-UHFFFAOYSA-N 1 1 423.467 4.203 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000505634864 914334291 /nfs/dbraw/zinc/33/42/91/914334291.db2.gz MRWIPLPOECLSCF-UHFFFAOYSA-N 1 1 423.467 4.203 20 30 HIEDMO Cc1ccc(-c2noc([C@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660342 899321513 /nfs/dbraw/zinc/32/15/13/899321513.db2.gz MFCPBFAUNGBMCO-KRWDZBQOSA-N 1 1 419.504 4.371 20 30 HIEDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)no1 ZINC000484323290 899879389 /nfs/dbraw/zinc/87/93/89/899879389.db2.gz REWVPWJINIZPPG-UHFFFAOYSA-N 1 1 413.481 4.249 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000485049375 900381568 /nfs/dbraw/zinc/38/15/68/900381568.db2.gz ZKHMOWIKIYBILU-UHFFFAOYSA-N 1 1 405.420 4.054 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000485454661 900749216 /nfs/dbraw/zinc/74/92/16/900749216.db2.gz MULIMVRGSXIEHM-UHFFFAOYSA-N 1 1 409.599 4.032 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485469748 900764120 /nfs/dbraw/zinc/76/41/20/900764120.db2.gz WWTAQZOOHORZGX-YADHBBJMSA-N 1 1 410.583 4.374 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485469748 900764129 /nfs/dbraw/zinc/76/41/29/900764129.db2.gz WWTAQZOOHORZGX-YADHBBJMSA-N 1 1 410.583 4.374 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505819589 914478036 /nfs/dbraw/zinc/47/80/36/914478036.db2.gz OIDUGZNZNAYNLO-OALUTQOASA-N 1 1 409.555 4.278 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505819589 914478043 /nfs/dbraw/zinc/47/80/43/914478043.db2.gz OIDUGZNZNAYNLO-OALUTQOASA-N 1 1 409.555 4.278 20 30 HIEDMO N#C[C@@H]1N(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000505832243 914485306 /nfs/dbraw/zinc/48/53/06/914485306.db2.gz KYUBWIIHZZFFBH-AHWVRZQESA-N 1 1 417.553 4.143 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486273872 901456937 /nfs/dbraw/zinc/45/69/37/901456937.db2.gz ZDJSRYZJDRSIIR-RXYZOABWSA-N 1 1 412.484 4.421 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486273872 901456946 /nfs/dbraw/zinc/45/69/46/901456946.db2.gz ZDJSRYZJDRSIIR-RXYZOABWSA-N 1 1 412.484 4.421 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000505903256 914545880 /nfs/dbraw/zinc/54/58/80/914545880.db2.gz OGYJRBXLIUFWOT-YRNVUSSQSA-N 1 1 411.553 4.295 20 30 HIEDMO N#CCCn1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000505903256 914545896 /nfs/dbraw/zinc/54/58/96/914545896.db2.gz OGYJRBXLIUFWOT-YRNVUSSQSA-N 1 1 411.553 4.295 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910842 914554935 /nfs/dbraw/zinc/55/49/35/914554935.db2.gz DFTHIXHYXZCHSS-PZJWPPBQSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000486973145 901999458 /nfs/dbraw/zinc/99/94/58/901999458.db2.gz FBSFOHMJJIRSOP-JQVVWYNYSA-N 1 1 419.525 4.064 20 30 HIEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000486973145 901999468 /nfs/dbraw/zinc/99/94/68/901999468.db2.gz FBSFOHMJJIRSOP-JQVVWYNYSA-N 1 1 419.525 4.064 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000505935920 914588115 /nfs/dbraw/zinc/58/81/15/914588115.db2.gz QWILGVPSAGWLKP-IAGOWNOFSA-N 1 1 412.603 4.279 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296933 902759228 /nfs/dbraw/zinc/75/92/28/902759228.db2.gz KBWVAHGPSWDROJ-SFHVURJKSA-N 1 1 420.513 4.068 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000488326377 902765034 /nfs/dbraw/zinc/76/50/34/902765034.db2.gz DEGMNCFJKUVDLO-MOPGFXCFSA-N 1 1 416.294 4.117 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000488400447 902808411 /nfs/dbraw/zinc/80/84/11/902808411.db2.gz COBHJYHWGVBEEF-VXKWHMMOSA-N 1 1 411.571 4.432 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500072 902856936 /nfs/dbraw/zinc/85/69/36/902856936.db2.gz OWQSTAHUCNQAFW-BLVKFPJESA-N 1 1 406.288 4.456 20 30 HIEDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489086490 903187253 /nfs/dbraw/zinc/18/72/53/903187253.db2.gz YKYFSZCISINXIO-UHFFFAOYSA-N 1 1 401.507 4.263 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489529020 903439780 /nfs/dbraw/zinc/43/97/80/903439780.db2.gz IPKJKEJIGXBVPL-RDPSFJRHSA-N 1 1 404.558 4.390 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490214861 903831447 /nfs/dbraw/zinc/83/14/47/903831447.db2.gz CUSLXNKKRKCEGD-FGZHOGPDSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490214861 903831452 /nfs/dbraw/zinc/83/14/52/903831452.db2.gz CUSLXNKKRKCEGD-FGZHOGPDSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330010 903917040 /nfs/dbraw/zinc/91/70/40/903917040.db2.gz YJKPSKOUAOKBMK-YADHBBJMSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330010 903917053 /nfs/dbraw/zinc/91/70/53/903917053.db2.gz YJKPSKOUAOKBMK-YADHBBJMSA-N 1 1 409.480 4.208 20 30 HIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490432134 904005815 /nfs/dbraw/zinc/00/58/15/904005815.db2.gz KOPUCGYSKFQBMJ-JOCHJYFZSA-N 1 1 410.525 4.282 20 30 HIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490435990 904008670 /nfs/dbraw/zinc/00/86/70/904008670.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 1 1 413.569 4.303 20 30 HIEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490435990 904008689 /nfs/dbraw/zinc/00/86/89/904008689.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 1 1 413.569 4.303 20 30 HIEDMO CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490435990 904008714 /nfs/dbraw/zinc/00/87/14/904008714.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 1 1 413.569 4.303 20 30 HIEDMO CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490435990 904008730 /nfs/dbraw/zinc/00/87/30/904008730.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 1 1 413.569 4.303 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512393010 921128405 /nfs/dbraw/zinc/12/84/05/921128405.db2.gz NBUFMPRBMUBJFL-KNQAVFIVSA-N 1 1 402.542 4.147 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000493961266 905312295 /nfs/dbraw/zinc/31/22/95/905312295.db2.gz MUHRBBVVXUETOH-XMMPIXPASA-N 1 1 411.505 4.142 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268498 905594135 /nfs/dbraw/zinc/59/41/35/905594135.db2.gz PAMXSOFPJFAPOF-OAHLLOKOSA-N 1 1 418.310 4.355 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268498 905594147 /nfs/dbraw/zinc/59/41/47/905594147.db2.gz PAMXSOFPJFAPOF-OAHLLOKOSA-N 1 1 418.310 4.355 20 30 HIEDMO CCSc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000494626141 905870225 /nfs/dbraw/zinc/87/02/25/905870225.db2.gz NYBOYEUKAGZODD-UHFFFAOYSA-N 1 1 408.571 4.088 20 30 HIEDMO Cc1cc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)ccc1Br ZINC000495255547 906341520 /nfs/dbraw/zinc/34/15/20/906341520.db2.gz QMEHOGAYUJCHER-HXUWFJFHSA-N 1 1 412.331 4.035 20 30 HIEDMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637778 907123506 /nfs/dbraw/zinc/12/35/06/907123506.db2.gz WTVSLTJICRPNBC-QDSKXPNFSA-N 1 1 411.590 4.070 20 30 HIEDMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637778 907123534 /nfs/dbraw/zinc/12/35/34/907123534.db2.gz WTVSLTJICRPNBC-QDSKXPNFSA-N 1 1 411.590 4.070 20 30 HIEDMO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498552661 908013796 /nfs/dbraw/zinc/01/37/96/908013796.db2.gz GJXDFGXLSSPTAO-GOTSBHOMSA-N 1 1 409.530 4.006 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000498900217 908306533 /nfs/dbraw/zinc/30/65/33/908306533.db2.gz XTLGYORKJUKNQW-QGZVFWFLSA-N 1 1 409.555 4.495 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000498900217 908306551 /nfs/dbraw/zinc/30/65/51/908306551.db2.gz XTLGYORKJUKNQW-QGZVFWFLSA-N 1 1 409.555 4.495 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000499161930 908516451 /nfs/dbraw/zinc/51/64/51/908516451.db2.gz OTQGDCICQNIBOL-YCAMKHIRSA-N 1 1 418.560 4.451 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000512923055 921417209 /nfs/dbraw/zinc/41/72/09/921417209.db2.gz POUDYBVJERSQSF-INIZCTEOSA-N 1 1 406.486 4.131 20 30 HIEDMO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000499237326 908601450 /nfs/dbraw/zinc/60/14/50/908601450.db2.gz SJVJAIPAWQOHSU-SFHVURJKSA-N 1 1 424.541 4.182 20 30 HIEDMO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000499237326 908601464 /nfs/dbraw/zinc/60/14/64/908601464.db2.gz SJVJAIPAWQOHSU-SFHVURJKSA-N 1 1 424.541 4.182 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499315782 908689538 /nfs/dbraw/zinc/68/95/38/908689538.db2.gz MALVOZJLIPZWMN-KRWDZBQOSA-N 1 1 408.502 4.115 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@@H]12 ZINC000499524028 908828670 /nfs/dbraw/zinc/82/86/70/908828670.db2.gz RRUXIEWWHNBOKS-KGWSWXIGSA-N 1 1 403.611 4.271 20 30 HIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000499524109 908828779 /nfs/dbraw/zinc/82/87/79/908828779.db2.gz SHIOVPBKQYHFBL-UHFFFAOYSA-N 1 1 411.468 4.455 20 30 HIEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000499708943 908884843 /nfs/dbraw/zinc/88/48/43/908884843.db2.gz HRJFYWFFZKAYSS-OAQYLSRUSA-N 1 1 407.562 4.075 20 30 HIEDMO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000512994288 921461973 /nfs/dbraw/zinc/46/19/73/921461973.db2.gz XVEQMMWSRPKCIO-UHFFFAOYSA-N 1 1 416.403 4.156 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)cc1 ZINC000513071195 921524722 /nfs/dbraw/zinc/52/47/22/921524722.db2.gz SDGPLULOECNACN-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000500890413 910161333 /nfs/dbraw/zinc/16/13/33/910161333.db2.gz OWVUDJFDRCPOAC-FQEVSTJZSA-N 1 1 408.502 4.163 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107931 921556228 /nfs/dbraw/zinc/55/62/28/921556228.db2.gz YREYXXJZTRAJQM-NRFANRHFSA-N 1 1 421.541 4.020 20 30 HIEDMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502162815 911082981 /nfs/dbraw/zinc/08/29/81/911082981.db2.gz APYJUHSZERNVEQ-INIZCTEOSA-N 1 1 424.932 4.198 20 30 HIEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502172690 911094978 /nfs/dbraw/zinc/09/49/78/911094978.db2.gz JMWRYQHRRAIIQH-SFHVURJKSA-N 1 1 418.541 4.359 20 30 HIEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502175767 911098367 /nfs/dbraw/zinc/09/83/67/911098367.db2.gz SGQPDSKEYBFXGR-INIZCTEOSA-N 1 1 401.470 4.020 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000502182425 911110624 /nfs/dbraw/zinc/11/06/24/911110624.db2.gz OTRSKXVVXZILJD-DEOSSOPVSA-N 1 1 400.526 4.022 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000503083398 912052398 /nfs/dbraw/zinc/05/23/98/912052398.db2.gz CNQIBYXXUKKWLV-QHCPKHFHSA-N 1 1 410.518 4.255 20 30 HIEDMO C=C(C)COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506292853 914889109 /nfs/dbraw/zinc/88/91/09/914889109.db2.gz CGWMMLRWXFAZJN-UHFFFAOYSA-N 1 1 405.542 4.230 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506292853 914889110 /nfs/dbraw/zinc/88/91/10/914889110.db2.gz CGWMMLRWXFAZJN-UHFFFAOYSA-N 1 1 405.542 4.230 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506292853 914889111 /nfs/dbraw/zinc/88/91/11/914889111.db2.gz CGWMMLRWXFAZJN-UHFFFAOYSA-N 1 1 405.542 4.230 20 30 HIEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000506294515 914889709 /nfs/dbraw/zinc/88/97/09/914889709.db2.gz JRVSGEWLHUMYPD-UHFFFAOYSA-N 1 1 411.521 4.225 20 30 HIEDMO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000506294515 914889711 /nfs/dbraw/zinc/88/97/11/914889711.db2.gz JRVSGEWLHUMYPD-UHFFFAOYSA-N 1 1 411.521 4.225 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000506294515 914889714 /nfs/dbraw/zinc/88/97/14/914889714.db2.gz JRVSGEWLHUMYPD-UHFFFAOYSA-N 1 1 411.521 4.225 20 30 HIEDMO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340101 914956082 /nfs/dbraw/zinc/95/60/82/914956082.db2.gz RJDCVFAVPSKWOV-CLJLJLNGSA-N 1 1 400.522 4.466 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513365803 921739252 /nfs/dbraw/zinc/73/92/52/921739252.db2.gz HQPGYKWVQPEKHO-MBSDFSHPSA-N 1 1 405.517 4.240 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)ccc1OC ZINC000506576731 915226491 /nfs/dbraw/zinc/22/64/91/915226491.db2.gz FUFXWSZRPNUNGK-UHFFFAOYSA-N 1 1 408.542 4.307 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)ccc1OC ZINC000506576731 915226520 /nfs/dbraw/zinc/22/65/20/915226520.db2.gz FUFXWSZRPNUNGK-UHFFFAOYSA-N 1 1 408.542 4.307 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939641 915743719 /nfs/dbraw/zinc/74/37/19/915743719.db2.gz JOAVPJCOBRTKDH-WOJBJXKFSA-N 1 1 414.619 4.087 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000507118990 915877509 /nfs/dbraw/zinc/87/75/09/915877509.db2.gz FSBDZKQAIPUXFX-UHFFFAOYSA-N 1 1 419.435 4.029 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000507241071 916001717 /nfs/dbraw/zinc/00/17/17/916001717.db2.gz WVQPQRYPQQWXHW-UHFFFAOYSA-N 1 1 408.550 4.023 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000507824091 916621021 /nfs/dbraw/zinc/62/10/21/916621021.db2.gz NIEGLFLKLYXPJP-SJORKVTESA-N 1 1 411.933 4.321 20 30 HIEDMO CCN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000507824587 916621351 /nfs/dbraw/zinc/62/13/51/916621351.db2.gz OTQXXHTZRAHZTQ-GOSISDBHSA-N 1 1 409.505 4.150 20 30 HIEDMO CCN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000507824591 916623023 /nfs/dbraw/zinc/62/30/23/916623023.db2.gz OTQXXHTZRAHZTQ-SFHVURJKSA-N 1 1 409.505 4.150 20 30 HIEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000507885588 916730262 /nfs/dbraw/zinc/73/02/62/916730262.db2.gz DTVHPVPGYXJWQQ-KRWDZBQOSA-N 1 1 405.523 4.066 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508476356 917260347 /nfs/dbraw/zinc/26/03/47/917260347.db2.gz CNVQXQIDEHSUHP-XZOQPEGZSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508505707 917291599 /nfs/dbraw/zinc/29/15/99/917291599.db2.gz OAXXZDNBQHHOLG-UXHICEINSA-N 1 1 409.578 4.231 20 30 HIEDMO COCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576832 917350399 /nfs/dbraw/zinc/35/03/99/917350399.db2.gz CYLLSHAPAUZCQT-HNNXBMFYSA-N 1 1 402.420 4.434 20 30 HIEDMO COCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576832 917350402 /nfs/dbraw/zinc/35/04/02/917350402.db2.gz CYLLSHAPAUZCQT-HNNXBMFYSA-N 1 1 402.420 4.434 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000508678618 917441567 /nfs/dbraw/zinc/44/15/67/917441567.db2.gz QDCKYGVGSAYAIX-HYYNZMQPSA-N 1 1 424.589 4.071 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508696620 917458795 /nfs/dbraw/zinc/45/87/95/917458795.db2.gz HQKKGGLGSRKRLK-OFNKIYASSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508696618 917458825 /nfs/dbraw/zinc/45/88/25/917458825.db2.gz HQKKGGLGSRKRLK-NFBKMPQASA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508745551 917503602 /nfs/dbraw/zinc/50/36/02/917503602.db2.gz GDLRFMKYMKSENI-FGZHOGPDSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508746165 917503940 /nfs/dbraw/zinc/50/39/40/917503940.db2.gz JYBCYJYFVLVZQA-NHCUHLMSSA-N 1 1 411.594 4.389 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508791239 917547546 /nfs/dbraw/zinc/54/75/46/917547546.db2.gz ADHSIXKKCYTCRG-GHTZIAJQSA-N 1 1 411.619 4.154 20 30 HIEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508828356 917582217 /nfs/dbraw/zinc/58/22/17/917582217.db2.gz PMILGVBQPLJOGL-JOCHJYFZSA-N 1 1 421.589 4.341 20 30 HIEDMO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508847740 917600931 /nfs/dbraw/zinc/60/09/31/917600931.db2.gz LJOMTGQUYRBXBV-IFMALSPDSA-N 1 1 421.589 4.059 20 30 HIEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508873375 917627182 /nfs/dbraw/zinc/62/71/82/917627182.db2.gz MRDKZEUNWNFMMW-RXVVDRJESA-N 1 1 411.981 4.161 20 30 HIEDMO COc1ccccc1C[N@@H+](CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000509115182 917851557 /nfs/dbraw/zinc/85/15/57/917851557.db2.gz YPXHFVXZCGIIEM-UHFFFAOYSA-N 1 1 402.494 4.140 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000509124363 917856835 /nfs/dbraw/zinc/85/68/35/917856835.db2.gz OHNGRAMSHBBNTN-UHFFFAOYSA-N 1 1 401.432 4.234 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)[C@H](C(F)(F)F)C1 ZINC000509197143 917901417 /nfs/dbraw/zinc/90/14/17/917901417.db2.gz QWCVFXOWPFQZOK-YRGRVCCFSA-N 1 1 414.365 4.296 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381476 918048812 /nfs/dbraw/zinc/04/88/12/918048812.db2.gz YTYXHNGYQUXGLG-KRWDZBQOSA-N 1 1 415.921 4.159 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509624105 918271506 /nfs/dbraw/zinc/27/15/06/918271506.db2.gz HJNQWKGAIOGJKH-GAJHUEQPSA-N 1 1 420.536 4.197 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000509649798 918287140 /nfs/dbraw/zinc/28/71/40/918287140.db2.gz NNJHHQVHIBQXJZ-UHFFFAOYSA-N 1 1 401.535 4.148 20 30 HIEDMO C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551205 918997086 /nfs/dbraw/zinc/99/70/86/918997086.db2.gz OOVPLPJPVOOYDW-SJLPKXTDSA-N 1 1 407.480 4.009 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCCO)[C@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000510651123 919092502 /nfs/dbraw/zinc/09/25/02/919092502.db2.gz QTCJWJUBIFGMLP-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO N#Cc1ccc(OC(F)F)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000510841365 919324105 /nfs/dbraw/zinc/32/41/05/919324105.db2.gz KCYTVMQFTJNOOC-INIZCTEOSA-N 1 1 421.394 4.256 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000511389709 919994959 /nfs/dbraw/zinc/99/49/59/919994959.db2.gz DWZXTWZNADRHJE-LJQANCHMSA-N 1 1 420.557 4.156 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)s2)cc1 ZINC000511654654 920320391 /nfs/dbraw/zinc/32/03/91/920320391.db2.gz FBRNMIOKTREJGC-OAQYLSRUSA-N 1 1 402.523 4.209 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)s2)cc1 ZINC000511654654 920320412 /nfs/dbraw/zinc/32/04/12/920320412.db2.gz FBRNMIOKTREJGC-OAQYLSRUSA-N 1 1 402.523 4.209 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670222 920336791 /nfs/dbraw/zinc/33/67/91/920336791.db2.gz GVMAJCJGHNLWFL-XPWALMASSA-N 1 1 423.944 4.091 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670221 920337284 /nfs/dbraw/zinc/33/72/84/920337284.db2.gz GVMAJCJGHNLWFL-VJBWXMMDSA-N 1 1 423.944 4.091 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511680685 920343745 /nfs/dbraw/zinc/34/37/45/920343745.db2.gz JIKQOBNZWRKUCA-URVUXULASA-N 1 1 408.567 4.408 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000511750204 920428293 /nfs/dbraw/zinc/42/82/93/920428293.db2.gz AWLQUVYBWYHDPO-QHCPKHFHSA-N 1 1 414.509 4.244 20 30 HIEDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019598 920794158 /nfs/dbraw/zinc/79/41/58/920794158.db2.gz IABXTCURSOWTSV-MGPUTAFESA-N 1 1 416.447 4.212 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000512263304 921021786 /nfs/dbraw/zinc/02/17/86/921021786.db2.gz IGMUWPFTAXHMBA-IBGZPJMESA-N 1 1 401.514 4.307 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000512263304 921021798 /nfs/dbraw/zinc/02/17/98/921021798.db2.gz IGMUWPFTAXHMBA-IBGZPJMESA-N 1 1 401.514 4.307 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512340555 921085329 /nfs/dbraw/zinc/08/53/29/921085329.db2.gz KXJLESYNNRKCDR-UWJYYQICSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512340555 921085337 /nfs/dbraw/zinc/08/53/37/921085337.db2.gz KXJLESYNNRKCDR-UWJYYQICSA-N 1 1 409.555 4.001 20 30 HIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513513581 921859781 /nfs/dbraw/zinc/85/97/81/921859781.db2.gz FXJYYORKQVYBKM-DEOSSOPVSA-N 1 1 405.546 4.245 20 30 HIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000513513588 921860021 /nfs/dbraw/zinc/86/00/21/921860021.db2.gz FXJYYORKQVYBKM-XMMPIXPASA-N 1 1 405.546 4.245 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666869 921990046 /nfs/dbraw/zinc/99/00/46/921990046.db2.gz PUDISPTUFCWTBG-AFMDSPMNSA-N 1 1 411.505 4.472 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666869 921990061 /nfs/dbraw/zinc/99/00/61/921990061.db2.gz PUDISPTUFCWTBG-AFMDSPMNSA-N 1 1 411.505 4.472 20 30 HIEDMO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)s1 ZINC000514105084 922432530 /nfs/dbraw/zinc/43/25/30/922432530.db2.gz OQKKNDOQTPXGCN-UHFFFAOYSA-N 1 1 413.587 4.319 20 30 HIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1N1CCCC1 ZINC000514320429 922596444 /nfs/dbraw/zinc/59/64/44/922596444.db2.gz MQZWENRNCPYHRU-UHFFFAOYSA-N 1 1 400.526 4.470 20 30 HIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1N1CCCC1 ZINC000514320429 922596452 /nfs/dbraw/zinc/59/64/52/922596452.db2.gz MQZWENRNCPYHRU-UHFFFAOYSA-N 1 1 400.526 4.470 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000515509948 923142776 /nfs/dbraw/zinc/14/27/76/923142776.db2.gz DVIAZFIDHUYVQM-QFIPXVFZSA-N 1 1 409.505 4.178 20 30 HIEDMO N#Cc1ccc(CCC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000515936178 923450694 /nfs/dbraw/zinc/45/06/94/923450694.db2.gz INNKQIHGIOKGMT-UHFFFAOYSA-N 1 1 415.459 4.290 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)c2)CCO1 ZINC000516899661 923935434 /nfs/dbraw/zinc/93/54/34/923935434.db2.gz UDAWRMDGPYKFQK-HNNXBMFYSA-N 1 1 408.452 4.217 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)c2)CCO1 ZINC000516899661 923935438 /nfs/dbraw/zinc/93/54/38/923935438.db2.gz UDAWRMDGPYKFQK-HNNXBMFYSA-N 1 1 408.452 4.217 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202672 924049498 /nfs/dbraw/zinc/04/94/98/924049498.db2.gz RORIYYZWEMHTDP-XUZZJYLKSA-N 1 1 416.481 4.113 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540116 924253680 /nfs/dbraw/zinc/25/36/80/924253680.db2.gz NTLQHGQJWGWPPC-LAUBAEHRSA-N 1 1 415.459 4.192 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000517805079 926844361 /nfs/dbraw/zinc/84/43/61/926844361.db2.gz ZXESRIRNBIPRAW-UHFFFAOYSA-N 1 1 405.477 4.313 20 30 HIEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000517903533 926883129 /nfs/dbraw/zinc/88/31/29/926883129.db2.gz QZVNOEJRGLMMBF-QZTJIDSGSA-N 1 1 422.529 4.360 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000518316308 927180291 /nfs/dbraw/zinc/18/02/91/927180291.db2.gz UOMORXCHOGQYCC-QFIPXVFZSA-N 1 1 410.949 4.408 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000518316308 927180300 /nfs/dbraw/zinc/18/03/00/927180300.db2.gz UOMORXCHOGQYCC-QFIPXVFZSA-N 1 1 410.949 4.408 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753591 927477430 /nfs/dbraw/zinc/47/74/30/927477430.db2.gz UZGLJDNRFMLBEY-LJQANCHMSA-N 1 1 418.545 4.282 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753591 927477435 /nfs/dbraw/zinc/47/74/35/927477435.db2.gz UZGLJDNRFMLBEY-LJQANCHMSA-N 1 1 418.545 4.282 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1OCC ZINC000518838056 927538049 /nfs/dbraw/zinc/53/80/49/927538049.db2.gz JHPBMBWZKKRDGY-MRXNPFEDSA-N 1 1 420.351 4.136 20 30 HIEDMO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2ccccn21 ZINC000519573756 928022668 /nfs/dbraw/zinc/02/26/68/928022668.db2.gz XHKIOPQPMZTEPX-INIZCTEOSA-N 1 1 405.449 4.204 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721550 928056696 /nfs/dbraw/zinc/05/66/96/928056696.db2.gz HUORKQIUZSAQFE-MRXNPFEDSA-N 1 1 409.452 4.261 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000519908169 928141617 /nfs/dbraw/zinc/14/16/17/928141617.db2.gz KEKXFGZBHRQBHU-UHFFFAOYSA-N 1 1 403.448 4.360 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000520212820 928392274 /nfs/dbraw/zinc/39/22/74/928392274.db2.gz HLFGLYOWLMMQLD-GOSISDBHSA-N 1 1 410.587 4.234 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000520212820 928392286 /nfs/dbraw/zinc/39/22/86/928392286.db2.gz HLFGLYOWLMMQLD-GOSISDBHSA-N 1 1 410.587 4.234 20 30 HIEDMO C=CCc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000520710396 928759496 /nfs/dbraw/zinc/75/94/96/928759496.db2.gz QSUHSVUTIPPCAX-KRWDZBQOSA-N 1 1 410.514 4.078 20 30 HIEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000520934918 928881759 /nfs/dbraw/zinc/88/17/59/928881759.db2.gz UJUZMVIYSLBIQM-INIZCTEOSA-N 1 1 422.392 4.260 20 30 HIEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000520934918 928881763 /nfs/dbraw/zinc/88/17/63/928881763.db2.gz UJUZMVIYSLBIQM-INIZCTEOSA-N 1 1 422.392 4.260 20 30 HIEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000521195600 929054378 /nfs/dbraw/zinc/05/43/78/929054378.db2.gz JZDWPIBXQDQXOX-UHFFFAOYSA-N 1 1 405.401 4.487 20 30 HIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000521195600 929054387 /nfs/dbraw/zinc/05/43/87/929054387.db2.gz JZDWPIBXQDQXOX-UHFFFAOYSA-N 1 1 405.401 4.487 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(Br)c2)c1C ZINC000521422233 929215450 /nfs/dbraw/zinc/21/54/50/929215450.db2.gz ICDSQPWLWMRQTC-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(Br)c2)c1C ZINC000521422233 929215461 /nfs/dbraw/zinc/21/54/61/929215461.db2.gz ICDSQPWLWMRQTC-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521641177 929338975 /nfs/dbraw/zinc/33/89/75/929338975.db2.gz KZBPWTVGTWDQBX-SZPZYZBQSA-N 1 1 421.585 4.236 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521641177 929338982 /nfs/dbraw/zinc/33/89/82/929338982.db2.gz KZBPWTVGTWDQBX-SZPZYZBQSA-N 1 1 421.585 4.236 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521721995 929389603 /nfs/dbraw/zinc/38/96/03/929389603.db2.gz ZZZVXZPEAZAOEW-FQEVSTJZSA-N 1 1 411.477 4.161 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000521880135 929530691 /nfs/dbraw/zinc/53/06/91/929530691.db2.gz HEZCWDQGYFZFMI-QFIPXVFZSA-N 1 1 419.013 4.034 20 30 HIEDMO C=CC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000524756070 929819798 /nfs/dbraw/zinc/81/97/98/929819798.db2.gz WKOCYHBECYFVAO-INIZCTEOSA-N 1 1 417.435 4.353 20 30 HIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000524993299 929960782 /nfs/dbraw/zinc/96/07/82/929960782.db2.gz LXQOCJWJYBJEHW-HYFFOGBASA-N 1 1 405.970 4.046 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000525001164 929965314 /nfs/dbraw/zinc/96/53/14/929965314.db2.gz GGMDEHRPOWDICC-CVDCTZTESA-N 1 1 409.530 4.053 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000525001164 929965323 /nfs/dbraw/zinc/96/53/23/929965323.db2.gz GGMDEHRPOWDICC-CVDCTZTESA-N 1 1 409.530 4.053 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000525570776 930336550 /nfs/dbraw/zinc/33/65/50/930336550.db2.gz UDSWQXSNHHCQMA-UWJYYQICSA-N 1 1 400.544 4.134 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000530447202 930710978 /nfs/dbraw/zinc/71/09/78/930710978.db2.gz JEUIACHXZYSYNA-UHFFFAOYSA-N 1 1 406.574 4.482 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)cc2)c1 ZINC000530640318 930783954 /nfs/dbraw/zinc/78/39/54/930783954.db2.gz OIDIRVGXGUWLGM-HXUWFJFHSA-N 1 1 400.500 4.042 20 30 HIEDMO N#Cc1cccc(CC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000530676661 930795340 /nfs/dbraw/zinc/79/53/40/930795340.db2.gz QGXBSYLWRWDZDS-NRFANRHFSA-N 1 1 415.459 4.014 20 30 HIEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642821 931136637 /nfs/dbraw/zinc/13/66/37/931136637.db2.gz NJZGGLWMTFOMCJ-MSOLQXFVSA-N 1 1 409.530 4.226 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000532486481 931457592 /nfs/dbraw/zinc/45/75/92/931457592.db2.gz FTPLESGIINKSNT-KRWDZBQOSA-N 1 1 405.477 4.213 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000532486481 931457594 /nfs/dbraw/zinc/45/75/94/931457594.db2.gz FTPLESGIINKSNT-KRWDZBQOSA-N 1 1 405.477 4.213 20 30 HIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000532492829 931460108 /nfs/dbraw/zinc/46/01/08/931460108.db2.gz MMPXWYSVBDOJPP-FQEVSTJZSA-N 1 1 401.510 4.453 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000532590549 931548427 /nfs/dbraw/zinc/54/84/27/931548427.db2.gz NQNGICFPERMLGM-VWNXMTODSA-N 1 1 415.537 4.226 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)c1 ZINC000533037810 931748356 /nfs/dbraw/zinc/74/83/56/931748356.db2.gz SUTWLSRDVHPYHH-UHFFFAOYSA-N 1 1 404.445 4.203 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000533070977 931762352 /nfs/dbraw/zinc/76/23/52/931762352.db2.gz OYUCWBVWFKDFEU-HXUWFJFHSA-N 1 1 420.557 4.215 20 30 HIEDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000533138855 931780194 /nfs/dbraw/zinc/78/01/94/931780194.db2.gz YMTSHLDGMZJYEG-UHFFFAOYSA-N 1 1 413.591 4.441 20 30 HIEDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000533138855 931780197 /nfs/dbraw/zinc/78/01/97/931780197.db2.gz YMTSHLDGMZJYEG-UHFFFAOYSA-N 1 1 413.591 4.441 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCOc1ccccc1Cl ZINC000533218894 931812673 /nfs/dbraw/zinc/81/26/73/931812673.db2.gz CPLIIYVCMMYLLJ-MRXNPFEDSA-N 1 1 403.885 4.125 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCOc1ccccc1Cl ZINC000533218894 931812675 /nfs/dbraw/zinc/81/26/75/931812675.db2.gz CPLIIYVCMMYLLJ-MRXNPFEDSA-N 1 1 403.885 4.125 20 30 HIEDMO CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000533254936 931820240 /nfs/dbraw/zinc/82/02/40/931820240.db2.gz HTDXUNDIUKAJKO-UHFFFAOYSA-N 1 1 406.555 4.467 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)c1C#N ZINC000533263461 931823296 /nfs/dbraw/zinc/82/32/96/931823296.db2.gz GLTKWBAFJSWDGZ-QGZVFWFLSA-N 1 1 404.514 4.292 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c(C#N)c1C ZINC000533279078 931825790 /nfs/dbraw/zinc/82/57/90/931825790.db2.gz AIXOYBMZELOSBI-HNNXBMFYSA-N 1 1 423.492 4.189 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533286805 931828315 /nfs/dbraw/zinc/82/83/15/931828315.db2.gz DVMMTLUZBFJRIF-SFHVURJKSA-N 1 1 409.555 4.066 20 30 HIEDMO C=CCCC[N@@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000533301614 931833775 /nfs/dbraw/zinc/83/37/75/931833775.db2.gz YNGQXUDNFIVBTN-UHFFFAOYSA-N 1 1 415.129 4.258 20 30 HIEDMO C=CCCC[N@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000533301614 931833777 /nfs/dbraw/zinc/83/37/77/931833777.db2.gz YNGQXUDNFIVBTN-UHFFFAOYSA-N 1 1 415.129 4.258 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)c1ccccc1 ZINC000533368518 931850823 /nfs/dbraw/zinc/85/08/23/931850823.db2.gz JJXOJFDMLWKHGD-UHFFFAOYSA-N 1 1 416.500 4.212 20 30 HIEDMO N#CCCN(C(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)c1ccccc1 ZINC000533368518 931850824 /nfs/dbraw/zinc/85/08/24/931850824.db2.gz JJXOJFDMLWKHGD-UHFFFAOYSA-N 1 1 416.500 4.212 20 30 HIEDMO Cc1cccc(NC2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000533393185 931856835 /nfs/dbraw/zinc/85/68/35/931856835.db2.gz FLOQEQIDQMVDST-UHFFFAOYSA-N 1 1 404.558 4.435 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419509 931862598 /nfs/dbraw/zinc/86/25/98/931862598.db2.gz GIGZSFANCBUXLX-DLBZAZTESA-N 1 1 403.592 4.497 20 30 HIEDMO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419509 931862600 /nfs/dbraw/zinc/86/26/00/931862600.db2.gz GIGZSFANCBUXLX-DLBZAZTESA-N 1 1 403.592 4.497 20 30 HIEDMO COc1cccc(NC2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)c1 ZINC000533448001 931872492 /nfs/dbraw/zinc/87/24/92/931872492.db2.gz JANUHBGNLFDIHF-UHFFFAOYSA-N 1 1 416.525 4.323 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl ZINC000533504710 931886805 /nfs/dbraw/zinc/88/68/05/931886805.db2.gz YJCMRAZSSXXWDT-UHFFFAOYSA-N 1 1 422.891 4.429 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl ZINC000533504710 931886806 /nfs/dbraw/zinc/88/68/06/931886806.db2.gz YJCMRAZSSXXWDT-UHFFFAOYSA-N 1 1 422.891 4.429 20 30 HIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606851 931921950 /nfs/dbraw/zinc/92/19/50/931921950.db2.gz OIFDIOJUHKOIGE-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606851 931921963 /nfs/dbraw/zinc/92/19/63/931921963.db2.gz OIFDIOJUHKOIGE-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)sc2c1CCCCC2 ZINC000533646247 931941681 /nfs/dbraw/zinc/94/16/81/931941681.db2.gz LPDRNHVJENWWRM-NRFANRHFSA-N 1 1 423.582 4.100 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000533768232 932022137 /nfs/dbraw/zinc/02/21/37/932022137.db2.gz VYJTUMNWUYEUKB-KRWDZBQOSA-N 1 1 421.566 4.180 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000533768232 932022149 /nfs/dbraw/zinc/02/21/49/932022149.db2.gz VYJTUMNWUYEUKB-KRWDZBQOSA-N 1 1 421.566 4.180 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534245220 932361973 /nfs/dbraw/zinc/36/19/73/932361973.db2.gz BUIBZOIGOMTEGT-DYESRHJHSA-N 1 1 411.908 4.192 20 30 HIEDMO N#CCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000534636099 932611841 /nfs/dbraw/zinc/61/18/41/932611841.db2.gz WHOQTZYRAHJMPR-QFIPXVFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#CCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000534636099 932611845 /nfs/dbraw/zinc/61/18/45/932611845.db2.gz WHOQTZYRAHJMPR-QFIPXVFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)cc1 ZINC000535113641 932930848 /nfs/dbraw/zinc/93/08/48/932930848.db2.gz XSWKJFXSUFSWGZ-UHFFFAOYSA-N 1 1 411.509 4.360 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)cc1 ZINC000535113641 932930856 /nfs/dbraw/zinc/93/08/56/932930856.db2.gz XSWKJFXSUFSWGZ-UHFFFAOYSA-N 1 1 411.509 4.360 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535549506 933238198 /nfs/dbraw/zinc/23/81/98/933238198.db2.gz UGORFRJZAOWFKJ-YADHBBJMSA-N 1 1 408.933 4.355 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535549506 933238206 /nfs/dbraw/zinc/23/82/06/933238206.db2.gz UGORFRJZAOWFKJ-YADHBBJMSA-N 1 1 408.933 4.355 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676978 933326243 /nfs/dbraw/zinc/32/62/43/933326243.db2.gz SVIIVYVQWPUHLJ-IBGZPJMESA-N 1 1 420.557 4.083 20 30 HIEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000537339658 933724184 /nfs/dbraw/zinc/72/41/84/933724184.db2.gz VZIAMITZBKOMCI-GOSISDBHSA-N 1 1 420.542 4.061 20 30 HIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000537537021 938318105 /nfs/dbraw/zinc/31/81/05/938318105.db2.gz RDILZBNGVPZMLO-UHFFFAOYSA-N 1 1 408.395 4.166 20 30 HIEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H](C)C1 ZINC000537574488 938327813 /nfs/dbraw/zinc/32/78/13/938327813.db2.gz PCCAGDRONLNBLX-DENIHFKCSA-N 1 1 421.541 4.217 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000537725693 938363711 /nfs/dbraw/zinc/36/37/11/938363711.db2.gz XSMBAALIDANMGI-YJBOKZPZSA-N 1 1 420.351 4.302 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000537725693 938363714 /nfs/dbraw/zinc/36/37/14/938363714.db2.gz XSMBAALIDANMGI-YJBOKZPZSA-N 1 1 420.351 4.302 20 30 HIEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538138665 938517277 /nfs/dbraw/zinc/51/72/77/938517277.db2.gz DRGAKMSXRRDRQA-OAHLLOKOSA-N 1 1 408.571 4.184 20 30 HIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538189226 938544931 /nfs/dbraw/zinc/54/49/31/938544931.db2.gz XUPHYSOOGCPRTR-VXGBXAGGSA-N 1 1 405.857 4.046 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)cc1 ZINC000538395419 938610506 /nfs/dbraw/zinc/61/05/06/938610506.db2.gz NEKPSHFQVQNTTL-COZMKHHLSA-N 1 1 414.597 4.308 20 30 HIEDMO C=CCc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000538730411 938695164 /nfs/dbraw/zinc/69/51/64/938695164.db2.gz JKWUBCLFFUQOMK-IBGZPJMESA-N 1 1 400.906 4.020 20 30 HIEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000538730411 938695166 /nfs/dbraw/zinc/69/51/66/938695166.db2.gz JKWUBCLFFUQOMK-IBGZPJMESA-N 1 1 400.906 4.020 20 30 HIEDMO N#CC1(c2ccccc2)CCC(Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000538834370 938722420 /nfs/dbraw/zinc/72/24/20/938722420.db2.gz OSYGISUNSVOYSY-NGYDJQAMSA-N 1 1 416.569 4.200 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(Cl)sc3Cl)CC2)cc1 ZINC000538911911 938736701 /nfs/dbraw/zinc/73/67/01/938736701.db2.gz XQJXONGNTHLLQQ-UHFFFAOYSA-N 1 1 423.369 4.344 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000538946106 938744085 /nfs/dbraw/zinc/74/40/85/938744085.db2.gz LWJWLTKOCOAERB-YESZJQIVSA-N 1 1 416.635 4.124 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000538946105 938744289 /nfs/dbraw/zinc/74/42/89/938744289.db2.gz LWJWLTKOCOAERB-IXDOHACOSA-N 1 1 416.635 4.124 20 30 HIEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539287058 938833858 /nfs/dbraw/zinc/83/38/58/938833858.db2.gz NWHPLRXHEGDKAW-KRWDZBQOSA-N 1 1 413.493 4.057 20 30 HIEDMO Cc1nc(C(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)ccc1C#N ZINC000539321007 938840867 /nfs/dbraw/zinc/84/08/67/938840867.db2.gz YHADUVMYKVNANE-QFIPXVFZSA-N 1 1 406.530 4.294 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)c(F)c1 ZINC000539325494 938841645 /nfs/dbraw/zinc/84/16/45/938841645.db2.gz MFPHOAXWZVELCS-GOSISDBHSA-N 1 1 419.497 4.083 20 30 HIEDMO CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000539499617 938869089 /nfs/dbraw/zinc/86/90/89/938869089.db2.gz IYVHWQYNJIEBJV-SANMLTNESA-N 1 1 404.602 4.065 20 30 HIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000539827874 938948834 /nfs/dbraw/zinc/94/88/34/938948834.db2.gz LXKLAWYPRPZZDM-HSZRJFAPSA-N 1 1 413.525 4.091 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3I)CC2)s1 ZINC000539861477 938960037 /nfs/dbraw/zinc/96/00/37/938960037.db2.gz SZOAMQCAPBUZQU-UHFFFAOYSA-N 1 1 424.307 4.268 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000539899157 938972029 /nfs/dbraw/zinc/97/20/29/938972029.db2.gz ADUOUCXIUPXUPL-IAGOWNOFSA-N 1 1 410.352 4.271 20 30 HIEDMO CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000540052814 939051201 /nfs/dbraw/zinc/05/12/01/939051201.db2.gz JFMVGBGGVGJMID-MRXNPFEDSA-N 1 1 410.381 4.070 20 30 HIEDMO CCN(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540274094 939179380 /nfs/dbraw/zinc/17/93/80/939179380.db2.gz BWPSMSYISGERSH-IAGOWNOFSA-N 1 1 411.933 4.488 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000540309944 939189833 /nfs/dbraw/zinc/18/98/33/939189833.db2.gz YPTVWDVRNBQXFH-RDGATRHJSA-N 1 1 414.553 4.384 20 30 HIEDMO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389930 939227903 /nfs/dbraw/zinc/22/79/03/939227903.db2.gz JPKPFRJUKRABQY-BEFAXECRSA-N 1 1 401.457 4.349 20 30 HIEDMO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000540425572 939244493 /nfs/dbraw/zinc/24/44/93/939244493.db2.gz WVRMCIHRUWSWBI-NRFANRHFSA-N 1 1 423.467 4.338 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccco1 ZINC000541597801 939563522 /nfs/dbraw/zinc/56/35/22/939563522.db2.gz LDFVEPIWCUVILR-HXUWFJFHSA-N 1 1 424.476 4.004 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccc(C)o1 ZINC000541649870 939586543 /nfs/dbraw/zinc/58/65/43/939586543.db2.gz BKKKUTUUFPWBGG-FQEVSTJZSA-N 1 1 412.534 4.299 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C2CC2)cc1 ZINC000542248218 939772127 /nfs/dbraw/zinc/77/21/27/939772127.db2.gz ZXLAWETZCZMGKE-DEOSSOPVSA-N 1 1 401.535 4.490 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C2CC2)cc1 ZINC000542248218 939772130 /nfs/dbraw/zinc/77/21/30/939772130.db2.gz ZXLAWETZCZMGKE-DEOSSOPVSA-N 1 1 401.535 4.490 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529687 939837946 /nfs/dbraw/zinc/83/79/46/939837946.db2.gz PCDCPUCGJSYAHB-MOPGFXCFSA-N 1 1 416.997 4.138 20 30 HIEDMO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543012234 939895123 /nfs/dbraw/zinc/89/51/23/939895123.db2.gz VYDOTWARYRBZOK-VGOFRKELSA-N 1 1 402.498 4.481 20 30 HIEDMO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000543039009 939900939 /nfs/dbraw/zinc/90/09/39/939900939.db2.gz BTNNMTMDYPQCLU-UHFFFAOYSA-N 1 1 410.905 4.154 20 30 HIEDMO CC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000543039009 939900947 /nfs/dbraw/zinc/90/09/47/939900947.db2.gz BTNNMTMDYPQCLU-UHFFFAOYSA-N 1 1 410.905 4.154 20 30 HIEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C2CC2)cc1 ZINC000543174751 939985360 /nfs/dbraw/zinc/98/53/60/939985360.db2.gz GUFWGBHUMCNGBB-UHFFFAOYSA-N 1 1 416.294 4.453 20 30 HIEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)cc1 ZINC000543299042 940022093 /nfs/dbraw/zinc/02/20/93/940022093.db2.gz ZGWRNUPRVUYQPJ-FQEVSTJZSA-N 1 1 408.571 4.206 20 30 HIEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543382261 940047294 /nfs/dbraw/zinc/04/72/94/940047294.db2.gz ZAHJYROYUUDVJH-LJQANCHMSA-N 1 1 422.529 4.029 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000543389397 940048675 /nfs/dbraw/zinc/04/86/75/940048675.db2.gz TVEYBVJWUIPUDH-DLBZAZTESA-N 1 1 406.711 4.086 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459546 940069385 /nfs/dbraw/zinc/06/93/85/940069385.db2.gz VYNCXFWGTRKMER-FDFHNCONSA-N 1 1 410.606 4.181 20 30 HIEDMO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000543804074 940192020 /nfs/dbraw/zinc/19/20/20/940192020.db2.gz XYKXRVTYCPBJBQ-HNNXBMFYSA-N 1 1 402.951 4.055 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031466 940305073 /nfs/dbraw/zinc/30/50/73/940305073.db2.gz IPCDJKFDUFBBJB-SFHVURJKSA-N 1 1 414.435 4.011 20 30 HIEDMO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000563843331 945312132 /nfs/dbraw/zinc/31/21/32/945312132.db2.gz VHEFGKLGDYTITE-UHFFFAOYSA-N 1 1 415.969 4.151 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544189607 940348670 /nfs/dbraw/zinc/34/86/70/940348670.db2.gz IPIYCWWMSPKINC-KRWDZBQOSA-N 1 1 404.539 4.413 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544189607 940348676 /nfs/dbraw/zinc/34/86/76/940348676.db2.gz IPIYCWWMSPKINC-KRWDZBQOSA-N 1 1 404.539 4.413 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544412040 940416789 /nfs/dbraw/zinc/41/67/89/940416789.db2.gz MWTIROZQRZMEPT-KUHUBIRLSA-N 1 1 406.288 4.427 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1c(C)noc1C ZINC000544459068 940439990 /nfs/dbraw/zinc/43/99/90/940439990.db2.gz WYIWHKQJTIOESQ-OAQYLSRUSA-N 1 1 419.529 4.309 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999965 940672442 /nfs/dbraw/zinc/67/24/42/940672442.db2.gz YZYKDXFYSWBRSU-JTSKRJEESA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999965 940672446 /nfs/dbraw/zinc/67/24/46/940672446.db2.gz YZYKDXFYSWBRSU-JTSKRJEESA-N 1 1 421.545 4.035 20 30 HIEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000546029299 940677624 /nfs/dbraw/zinc/67/76/24/940677624.db2.gz UQJFDGSQXTXHKY-JOCHJYFZSA-N 1 1 421.342 4.380 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c1C#N ZINC000548497482 941109774 /nfs/dbraw/zinc/10/97/74/941109774.db2.gz YIOLEUQLCDAVQO-LJQANCHMSA-N 1 1 417.278 4.487 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000549060673 941150903 /nfs/dbraw/zinc/15/09/03/941150903.db2.gz VDCKPSFMDJQOQJ-IBGZPJMESA-N 1 1 406.578 4.318 20 30 HIEDMO CC(C)N1CC[C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549118485 941161787 /nfs/dbraw/zinc/16/17/87/941161787.db2.gz SPAYYNIKFCOAJP-UNMCSNQZSA-N 1 1 423.467 4.200 20 30 HIEDMO CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549329675 941180596 /nfs/dbraw/zinc/18/05/96/941180596.db2.gz XDUAWGWHQTZYLS-FQEVSTJZSA-N 1 1 417.553 4.235 20 30 HIEDMO CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549329675 941180598 /nfs/dbraw/zinc/18/05/98/941180598.db2.gz XDUAWGWHQTZYLS-FQEVSTJZSA-N 1 1 417.553 4.235 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000549419241 941188088 /nfs/dbraw/zinc/18/80/88/941188088.db2.gz BCVUWBHDTTYFNC-KRWDZBQOSA-N 1 1 420.948 4.373 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000549676121 941204133 /nfs/dbraw/zinc/20/41/33/941204133.db2.gz WVFMVIVJMODGDA-SFHVURJKSA-N 1 1 422.964 4.453 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000550185856 941295460 /nfs/dbraw/zinc/29/54/60/941295460.db2.gz BGPMGINYHRZLKM-OAQYLSRUSA-N 1 1 400.567 4.167 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000550185856 941295462 /nfs/dbraw/zinc/29/54/62/941295462.db2.gz BGPMGINYHRZLKM-OAQYLSRUSA-N 1 1 400.567 4.167 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000550308013 941312256 /nfs/dbraw/zinc/31/22/56/941312256.db2.gz YNMNNNJDWMLUJW-UHFFFAOYSA-N 1 1 401.620 4.491 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(OC)cc1 ZINC000550308049 941312407 /nfs/dbraw/zinc/31/24/07/941312407.db2.gz ZSBLWBLXARQJHU-UHFFFAOYSA-N 1 1 415.537 4.480 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(OC)cc1 ZINC000550308049 941312410 /nfs/dbraw/zinc/31/24/10/941312410.db2.gz ZSBLWBLXARQJHU-UHFFFAOYSA-N 1 1 415.537 4.480 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000551404994 941470877 /nfs/dbraw/zinc/47/08/77/941470877.db2.gz MVAHJPUOKCNTTI-UWJYYQICSA-N 1 1 419.550 4.101 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000551404994 941470879 /nfs/dbraw/zinc/47/08/79/941470879.db2.gz MVAHJPUOKCNTTI-UWJYYQICSA-N 1 1 419.550 4.101 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000552372244 941647768 /nfs/dbraw/zinc/64/77/68/941647768.db2.gz ZUHQSJNFTJLDOE-ICSRJNTNSA-N 1 1 405.517 4.146 20 30 HIEDMO N#CCC[C@@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681723 941943330 /nfs/dbraw/zinc/94/33/30/941943330.db2.gz YNJGYOSEDUCZJO-NOZRDPDXSA-N 1 1 402.542 4.339 20 30 HIEDMO C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000553865638 941987469 /nfs/dbraw/zinc/98/74/69/941987469.db2.gz VZBCKCJQEGOTPI-LJQANCHMSA-N 1 1 403.526 4.084 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554634702 942181857 /nfs/dbraw/zinc/18/18/57/942181857.db2.gz XERCEUIZJYQQEP-SFHVURJKSA-N 1 1 415.557 4.300 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000554797961 942243930 /nfs/dbraw/zinc/24/39/30/942243930.db2.gz SSHFEZBHOGJVEK-QFIPXVFZSA-N 1 1 410.926 4.365 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000555241164 942442374 /nfs/dbraw/zinc/44/23/74/942442374.db2.gz ULDBYKKHCUVBNT-IBGZPJMESA-N 1 1 406.578 4.094 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555244533 942444329 /nfs/dbraw/zinc/44/43/29/942444329.db2.gz OERGIAANSMMOSI-UHFFFAOYSA-N 1 1 412.541 4.024 20 30 HIEDMO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000555269788 942455887 /nfs/dbraw/zinc/45/58/87/942455887.db2.gz QOPUMLWPQTYNQI-LJQANCHMSA-N 1 1 419.577 4.079 20 30 HIEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231441 942823082 /nfs/dbraw/zinc/82/30/82/942823082.db2.gz AIOXWYHPUAXQDS-ILBGXUMGSA-N 1 1 401.554 4.064 20 30 HIEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231441 942823084 /nfs/dbraw/zinc/82/30/84/942823084.db2.gz AIOXWYHPUAXQDS-ILBGXUMGSA-N 1 1 401.554 4.064 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000556896602 942957024 /nfs/dbraw/zinc/95/70/24/942957024.db2.gz ZOVYBKMPKGVOSH-BGYRXZFFSA-N 1 1 404.558 4.248 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000556896602 942957030 /nfs/dbraw/zinc/95/70/30/942957030.db2.gz ZOVYBKMPKGVOSH-BGYRXZFFSA-N 1 1 404.558 4.248 20 30 HIEDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920521 942966565 /nfs/dbraw/zinc/96/65/65/942966565.db2.gz MUQPDHGYUOMLJT-XUZZJYLKSA-N 1 1 419.544 4.488 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000556971226 942983890 /nfs/dbraw/zinc/98/38/90/942983890.db2.gz NAXJAFOGFGTYTA-XZOQPEGZSA-N 1 1 421.516 4.078 20 30 HIEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000557521116 943188069 /nfs/dbraw/zinc/18/80/69/943188069.db2.gz LRUPPBOWICYXMZ-HXUWFJFHSA-N 1 1 410.514 4.430 20 30 HIEDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000557782050 943289988 /nfs/dbraw/zinc/28/99/88/943289988.db2.gz JDVCNRZAIDKACG-INIZCTEOSA-N 1 1 402.464 4.180 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000558981815 943783973 /nfs/dbraw/zinc/78/39/73/943783973.db2.gz NLPUKIQQYVBONX-GOSISDBHSA-N 1 1 401.986 4.267 20 30 HIEDMO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000559011792 943803277 /nfs/dbraw/zinc/80/32/77/943803277.db2.gz WSWMTCLMTGKJFX-NRFANRHFSA-N 1 1 411.594 4.218 20 30 HIEDMO Cc1ccc(C2=NN(C(=O)C[NH2+]C3(c4cccc(C#N)c4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000560173441 944186591 /nfs/dbraw/zinc/18/65/91/944186591.db2.gz HMLWVTICWWEWPR-HSZRJFAPSA-N 1 1 424.504 4.416 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C1 ZINC000560551960 944251201 /nfs/dbraw/zinc/25/12/01/944251201.db2.gz UGSOYSPEVMYKRL-QGZVFWFLSA-N 1 1 409.505 4.334 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000560602737 944270538 /nfs/dbraw/zinc/27/05/38/944270538.db2.gz UIPGDURHGGBSOE-UHFFFAOYSA-N 1 1 411.480 4.154 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000560952402 944374689 /nfs/dbraw/zinc/37/46/89/944374689.db2.gz FLIFHHBMNKMDGT-LJQANCHMSA-N 1 1 414.509 4.088 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000560952402 944374695 /nfs/dbraw/zinc/37/46/95/944374695.db2.gz FLIFHHBMNKMDGT-LJQANCHMSA-N 1 1 414.509 4.088 20 30 HIEDMO COc1ccccc1-c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000561411110 944586787 /nfs/dbraw/zinc/58/67/87/944586787.db2.gz DXYJOOIOJCJGLC-UHFFFAOYSA-N 1 1 404.539 4.321 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc2)c1 ZINC000562089237 944932704 /nfs/dbraw/zinc/93/27/04/944932704.db2.gz RLTOANYAOWQIAW-RPWUZVMVSA-N 1 1 420.509 4.467 20 30 HIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Br)ccc2o1 ZINC000564153264 945403301 /nfs/dbraw/zinc/40/33/01/945403301.db2.gz VYLOBVJLDXQRSA-UHFFFAOYSA-N 1 1 400.276 4.111 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Br)ccc2o1 ZINC000564153264 945403303 /nfs/dbraw/zinc/40/33/03/945403303.db2.gz VYLOBVJLDXQRSA-UHFFFAOYSA-N 1 1 400.276 4.111 20 30 HIEDMO N#CCc1cccc(Br)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564398021 945554069 /nfs/dbraw/zinc/55/40/69/945554069.db2.gz YMRDNZUXUUQFQH-IBGZPJMESA-N 1 1 415.331 4.185 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)ccn1 ZINC000565922068 945927018 /nfs/dbraw/zinc/92/70/18/945927018.db2.gz JXSSABRGXUKBQM-HXUWFJFHSA-N 1 1 413.481 4.142 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000567190825 946264767 /nfs/dbraw/zinc/26/47/67/946264767.db2.gz CIEYNBKDONTKBS-UHFFFAOYSA-N 1 1 421.314 4.019 20 30 HIEDMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640702 946628914 /nfs/dbraw/zinc/62/89/14/946628914.db2.gz GNHXBXVADTZJNV-KBPBESRZSA-N 1 1 402.589 4.408 20 30 HIEDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640702 946628921 /nfs/dbraw/zinc/62/89/21/946628921.db2.gz GNHXBXVADTZJNV-KBPBESRZSA-N 1 1 402.589 4.408 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812556 946710777 /nfs/dbraw/zinc/71/07/77/946710777.db2.gz REQMPKALTXUEFK-UNMCSNQZSA-N 1 1 405.542 4.285 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000569393461 946865190 /nfs/dbraw/zinc/86/51/90/946865190.db2.gz FAVCFGVBKHLINX-UHFFFAOYSA-N 1 1 424.552 4.392 20 30 HIEDMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000571300061 947582830 /nfs/dbraw/zinc/58/28/30/947582830.db2.gz XHBALYOLLKSROC-UHFFFAOYSA-N 1 1 407.468 4.220 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000571598223 947723210 /nfs/dbraw/zinc/72/32/10/947723210.db2.gz NJLXLYFHBQQJPJ-HNNXBMFYSA-N 1 1 420.340 4.191 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000571598223 947723215 /nfs/dbraw/zinc/72/32/15/947723215.db2.gz NJLXLYFHBQQJPJ-HNNXBMFYSA-N 1 1 420.340 4.191 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573046648 948069468 /nfs/dbraw/zinc/06/94/68/948069468.db2.gz FVYZWDYETITASD-NQIIRXRSSA-N 1 1 406.530 4.474 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410980 948197478 /nfs/dbraw/zinc/19/74/78/948197478.db2.gz POOJVTUFLRZBTH-UZUQRXQVSA-N 1 1 417.513 4.226 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000573770670 948297118 /nfs/dbraw/zinc/29/71/18/948297118.db2.gz SBFLHBCESAPOMB-QFIPXVFZSA-N 1 1 408.546 4.179 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000573770670 948297138 /nfs/dbraw/zinc/29/71/38/948297138.db2.gz SBFLHBCESAPOMB-QFIPXVFZSA-N 1 1 408.546 4.179 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000573883754 948319648 /nfs/dbraw/zinc/31/96/48/948319648.db2.gz JMBRZHYPQJBYEX-VJBWXMMDSA-N 1 1 406.526 4.382 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OCCCC#N ZINC000573883755 948320053 /nfs/dbraw/zinc/32/00/53/948320053.db2.gz JMBRZHYPQJBYEX-XPWALMASSA-N 1 1 406.526 4.382 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1C ZINC000574105862 948365212 /nfs/dbraw/zinc/36/52/12/948365212.db2.gz YUBYMMKRBRHKDA-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1C ZINC000574105862 948365221 /nfs/dbraw/zinc/36/52/21/948365221.db2.gz YUBYMMKRBRHKDA-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc(N2CCCC2)[nH+]1 ZINC000574626492 948494891 /nfs/dbraw/zinc/49/48/91/948494891.db2.gz FGKSMAGHGWMFTN-UHFFFAOYSA-N 1 1 401.514 4.179 20 30 HIEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1Cl ZINC000575956927 948801081 /nfs/dbraw/zinc/80/10/81/948801081.db2.gz IRPRVEZPDRPWFQ-UHFFFAOYSA-N 1 1 420.900 4.261 20 30 HIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 ZINC000328603289 569416858 /nfs/dbraw/zinc/41/68/58/569416858.db2.gz FJTWXRXESFEFHI-LJQANCHMSA-N 1 1 415.497 4.016 20 30 HIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627909 719061827 /nfs/dbraw/zinc/06/18/27/719061827.db2.gz RLKGZHATKIQSCT-UTKZUKDTSA-N 1 1 403.917 4.256 20 30 HIEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629056 719090332 /nfs/dbraw/zinc/09/03/32/719090332.db2.gz QPOYYEVVBRBVJC-UGKGYDQZSA-N 1 1 417.557 4.039 20 30 HIEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2CC ZINC001164697176 719822542 /nfs/dbraw/zinc/82/25/42/719822542.db2.gz AMXWJQPAMCBMEQ-WMZHIEFXSA-N 1 1 416.997 4.257 20 30 HIEDMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c(C)c1Cl ZINC001164841824 720663496 /nfs/dbraw/zinc/66/34/96/720663496.db2.gz QJYZCFILTWIFMM-HXUWFJFHSA-N 1 1 424.976 4.483 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)[C@H]2C ZINC001164861317 720927091 /nfs/dbraw/zinc/92/70/91/720927091.db2.gz SVKIJKUMGRASNW-KRWDZBQOSA-N 1 1 418.520 4.377 20 30 HIEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921020 721866012 /nfs/dbraw/zinc/86/60/12/721866012.db2.gz BVOXBDWNYITFJJ-NHCUHLMSSA-N 1 1 417.582 4.050 20 30 HIEDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921020 721866015 /nfs/dbraw/zinc/86/60/15/721866015.db2.gz BVOXBDWNYITFJJ-NHCUHLMSSA-N 1 1 417.582 4.050 20 30 HIEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952218 722018267 /nfs/dbraw/zinc/01/82/67/722018267.db2.gz JRWROTMNROBOES-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001165004249 722259214 /nfs/dbraw/zinc/25/92/14/722259214.db2.gz PPADCAPHMRAVNS-DEOSSOPVSA-N 1 1 424.976 4.461 20 30 HIEDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000015366941 846041167 /nfs/dbraw/zinc/04/11/67/846041167.db2.gz UUSIOKCRLLWRPH-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000015366941 846041175 /nfs/dbraw/zinc/04/11/75/846041175.db2.gz UUSIOKCRLLWRPH-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO CC[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000025757021 847031314 /nfs/dbraw/zinc/03/13/14/847031314.db2.gz MZGCMCKPJRKESX-FQEVSTJZSA-N 1 1 407.543 4.453 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042326580 848317749 /nfs/dbraw/zinc/31/77/49/848317749.db2.gz ZVUQBYLREKBLCF-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042326580 848317752 /nfs/dbraw/zinc/31/77/52/848317752.db2.gz ZVUQBYLREKBLCF-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000042742074 848350618 /nfs/dbraw/zinc/35/06/18/848350618.db2.gz LHVANCOVJRDYBO-CQSZACIVSA-N 1 1 401.894 4.250 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000042742074 848350622 /nfs/dbraw/zinc/35/06/22/848350622.db2.gz LHVANCOVJRDYBO-CQSZACIVSA-N 1 1 401.894 4.250 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046374542 848835134 /nfs/dbraw/zinc/83/51/34/848835134.db2.gz JOKOQKUPKDWLNN-IBGZPJMESA-N 1 1 406.530 4.328 20 30 HIEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046528764 848866838 /nfs/dbraw/zinc/86/68/38/848866838.db2.gz SSPRACWGTFJNIA-UHFFFAOYSA-N 1 1 415.472 4.047 20 30 HIEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046528764 848866841 /nfs/dbraw/zinc/86/68/41/848866841.db2.gz SSPRACWGTFJNIA-UHFFFAOYSA-N 1 1 415.472 4.047 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000047257161 849016376 /nfs/dbraw/zinc/01/63/76/849016376.db2.gz JCLCKLPLIHXMLX-MRXNPFEDSA-N 1 1 400.482 4.164 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000047257161 849016379 /nfs/dbraw/zinc/01/63/79/849016379.db2.gz JCLCKLPLIHXMLX-MRXNPFEDSA-N 1 1 400.482 4.164 20 30 HIEDMO CCC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000047740018 849101936 /nfs/dbraw/zinc/10/19/36/849101936.db2.gz SXYMWCWURXUNIW-NRFANRHFSA-N 1 1 416.481 4.334 20 30 HIEDMO CCC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000047740018 849101945 /nfs/dbraw/zinc/10/19/45/849101945.db2.gz SXYMWCWURXUNIW-NRFANRHFSA-N 1 1 416.481 4.334 20 30 HIEDMO CCC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000047740019 849102256 /nfs/dbraw/zinc/10/22/56/849102256.db2.gz SXYMWCWURXUNIW-OAQYLSRUSA-N 1 1 416.481 4.334 20 30 HIEDMO CCC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000047740019 849102260 /nfs/dbraw/zinc/10/22/60/849102260.db2.gz SXYMWCWURXUNIW-OAQYLSRUSA-N 1 1 416.481 4.334 20 30 HIEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000051449782 849471409 /nfs/dbraw/zinc/47/14/09/849471409.db2.gz HILKXIDYYLGKFC-FPOVZHCZSA-N 1 1 415.331 4.092 20 30 HIEDMO COc1ccccc1-c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000054868068 849934565 /nfs/dbraw/zinc/93/45/65/849934565.db2.gz XLZILMZSERRXJO-UHFFFAOYSA-N 1 1 418.566 4.398 20 30 HIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000055055338 849965398 /nfs/dbraw/zinc/96/53/98/849965398.db2.gz CAWYPDPCSNIYJU-UHFFFAOYSA-N 1 1 407.543 4.191 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000056305156 850317449 /nfs/dbraw/zinc/31/74/49/850317449.db2.gz QHOKHXFPPGWQHS-JOCHJYFZSA-N 1 1 408.546 4.097 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000056305156 850317457 /nfs/dbraw/zinc/31/74/57/850317457.db2.gz QHOKHXFPPGWQHS-JOCHJYFZSA-N 1 1 408.546 4.097 20 30 HIEDMO Cc1cccc(OCCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000057428309 850634799 /nfs/dbraw/zinc/63/47/99/850634799.db2.gz LYAVGQSYTZPSKV-UHFFFAOYSA-N 1 1 405.542 4.150 20 30 HIEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000060469593 851109326 /nfs/dbraw/zinc/10/93/26/851109326.db2.gz NJZGGLWMTFOMCJ-QZTJIDSGSA-N 1 1 409.530 4.226 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000437056541 862252162 /nfs/dbraw/zinc/25/21/62/862252162.db2.gz KUWMCEXAODMZDJ-SFHVURJKSA-N 1 1 420.582 4.147 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063404147 851680375 /nfs/dbraw/zinc/68/03/75/851680375.db2.gz JDXKBYHGIBXLDC-JOCHJYFZSA-N 1 1 422.529 4.205 20 30 HIEDMO CCCN(CC)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063537203 851709764 /nfs/dbraw/zinc/70/97/64/851709764.db2.gz GKUZBQGLSILMAX-UHFFFAOYSA-N 1 1 404.558 4.143 20 30 HIEDMO CCCN(CC)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063537203 851709772 /nfs/dbraw/zinc/70/97/72/851709772.db2.gz GKUZBQGLSILMAX-UHFFFAOYSA-N 1 1 404.558 4.143 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)ccc1F ZINC000063751831 851754376 /nfs/dbraw/zinc/75/43/76/851754376.db2.gz DELGCLPKLLRHBN-UHFFFAOYSA-N 1 1 410.312 4.372 20 30 HIEDMO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(C#N)cc1 ZINC000063750840 851754786 /nfs/dbraw/zinc/75/47/86/851754786.db2.gz VRXDPVZOOYIUJK-UHFFFAOYSA-N 1 1 416.525 4.067 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(C#N)cc1 ZINC000063750840 851754793 /nfs/dbraw/zinc/75/47/93/851754793.db2.gz VRXDPVZOOYIUJK-UHFFFAOYSA-N 1 1 416.525 4.067 20 30 HIEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000063771045 851758928 /nfs/dbraw/zinc/75/89/28/851758928.db2.gz AEMBWGZGEZTQIN-UHFFFAOYSA-N 1 1 405.542 4.474 20 30 HIEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000064736974 851971654 /nfs/dbraw/zinc/97/16/54/851971654.db2.gz GVQYFPUWDIGHLT-QGZVFWFLSA-N 1 1 404.539 4.422 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000065473386 852148623 /nfs/dbraw/zinc/14/86/23/852148623.db2.gz HTXSUZCURZNTOP-LJQANCHMSA-N 1 1 400.910 4.423 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000065520129 852165538 /nfs/dbraw/zinc/16/55/38/852165538.db2.gz HASLSHFPMWUNTK-HXUWFJFHSA-N 1 1 406.530 4.183 20 30 HIEDMO Cc1nnc(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c(C#N)c1C ZINC000065945202 852331189 /nfs/dbraw/zinc/33/11/89/852331189.db2.gz HONMBXPAVJNHRH-UHFFFAOYSA-N 1 1 403.452 4.085 20 30 HIEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000096966462 852564482 /nfs/dbraw/zinc/56/44/82/852564482.db2.gz NRRNTSODPPVQGS-SFHVURJKSA-N 1 1 412.497 4.011 20 30 HIEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000096966462 852564490 /nfs/dbraw/zinc/56/44/90/852564490.db2.gz NRRNTSODPPVQGS-SFHVURJKSA-N 1 1 412.497 4.011 20 30 HIEDMO Cc1cc(-c2noc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000097476650 852615789 /nfs/dbraw/zinc/61/57/89/852615789.db2.gz ODQRXULNHUSEGP-GOSISDBHSA-N 1 1 419.504 4.325 20 30 HIEDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000097549540 852628376 /nfs/dbraw/zinc/62/83/76/852628376.db2.gz GZXHPSIKUDEKFO-UHFFFAOYSA-N 1 1 401.507 4.263 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000097575466 852636349 /nfs/dbraw/zinc/63/63/49/852636349.db2.gz BNBKASORDFVYMF-JOCHJYFZSA-N 1 1 402.450 4.162 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000105359174 852701732 /nfs/dbraw/zinc/70/17/32/852701732.db2.gz YAYNMKHFFFOVAH-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423656 852704361 /nfs/dbraw/zinc/70/43/61/852704361.db2.gz WGMYXRWUNCFYSY-HXUWFJFHSA-N 1 1 413.905 4.395 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000107592545 852779851 /nfs/dbraw/zinc/77/98/51/852779851.db2.gz WLTYYOOSINXNEB-IBGZPJMESA-N 1 1 421.589 4.037 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000107592549 852780173 /nfs/dbraw/zinc/78/01/73/852780173.db2.gz WLTYYOOSINXNEB-LJQANCHMSA-N 1 1 421.589 4.037 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnc2n1CCCCC2 ZINC000139446836 853410897 /nfs/dbraw/zinc/41/08/97/853410897.db2.gz UOVGWYBAFZNRMD-GOSISDBHSA-N 1 1 401.514 4.306 20 30 HIEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)cc1 ZINC000236982236 853946584 /nfs/dbraw/zinc/94/65/84/853946584.db2.gz JKZBKOBPTOKHNU-HXUWFJFHSA-N 1 1 409.549 4.221 20 30 HIEDMO COc1cc(Br)c(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1OC ZINC000237190977 853978592 /nfs/dbraw/zinc/97/85/92/853978592.db2.gz UBNKRVWXMIEAAF-UHFFFAOYSA-N 1 1 419.319 4.439 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(Cl)cc2)c1 ZINC000237469230 854039210 /nfs/dbraw/zinc/03/92/10/854039210.db2.gz FKHYMXRHKVAHQG-QFIPXVFZSA-N 1 1 410.926 4.494 20 30 HIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237505901 854047437 /nfs/dbraw/zinc/04/74/37/854047437.db2.gz JBMBSMAXTAWBJM-MHECFPHRSA-N 1 1 420.534 4.260 20 30 HIEDMO Cc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000250963061 854196706 /nfs/dbraw/zinc/19/67/06/854196706.db2.gz UILOXIXWIFWOES-OXQOHEQNSA-N 1 1 413.484 4.119 20 30 HIEDMO Cc1cc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180405 854321251 /nfs/dbraw/zinc/32/12/51/854321251.db2.gz ZAJIVQQNKYUXIQ-QHCPKHFHSA-N 1 1 424.552 4.068 20 30 HIEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000302196619 854548003 /nfs/dbraw/zinc/54/80/03/854548003.db2.gz FCZMQDHAFQSDJH-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303296425 854858334 /nfs/dbraw/zinc/85/83/34/854858334.db2.gz BVQYRZYUGGKODZ-KRWDZBQOSA-N 1 1 403.592 4.498 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000303362605 854892763 /nfs/dbraw/zinc/89/27/63/854892763.db2.gz HQGXFNHNOXXVGX-FQEVSTJZSA-N 1 1 422.598 4.227 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000303365558 854894461 /nfs/dbraw/zinc/89/44/61/854894461.db2.gz IKEXYIRBQDETEG-MRXNPFEDSA-N 1 1 401.507 4.169 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000303365558 854894464 /nfs/dbraw/zinc/89/44/64/854894464.db2.gz IKEXYIRBQDETEG-MRXNPFEDSA-N 1 1 401.507 4.169 20 30 HIEDMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000303366087 854894657 /nfs/dbraw/zinc/89/46/57/854894657.db2.gz IOEIMOVQEYHWMT-OAQYLSRUSA-N 1 1 408.546 4.185 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000303366087 854894660 /nfs/dbraw/zinc/89/46/60/854894660.db2.gz IOEIMOVQEYHWMT-OAQYLSRUSA-N 1 1 408.546 4.185 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303464651 854964127 /nfs/dbraw/zinc/96/41/27/854964127.db2.gz MGPUCMKPGAVQNJ-KYLYQBOTSA-N 1 1 417.553 4.273 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303464652 854964273 /nfs/dbraw/zinc/96/42/73/854964273.db2.gz MGPUCMKPGAVQNJ-UNPSAXADSA-N 1 1 417.553 4.273 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000303666404 855118581 /nfs/dbraw/zinc/11/85/81/855118581.db2.gz FIPMTTRXELISJY-OAQYLSRUSA-N 1 1 406.530 4.251 20 30 HIEDMO Cc1cccc2c(CCC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000303842262 855239225 /nfs/dbraw/zinc/23/92/25/855239225.db2.gz DGDRECTWBJDQQR-UHFFFAOYSA-N 1 1 400.526 4.015 20 30 HIEDMO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303870959 855262666 /nfs/dbraw/zinc/26/26/66/855262666.db2.gz BMNVGRUHCSKNCX-KDURUIRLSA-N 1 1 410.562 4.010 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000303877264 855265706 /nfs/dbraw/zinc/26/57/06/855265706.db2.gz IXHAHDUUWAAZES-UHFFFAOYSA-N 1 1 419.550 4.333 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000303877264 855265711 /nfs/dbraw/zinc/26/57/11/855265711.db2.gz IXHAHDUUWAAZES-UHFFFAOYSA-N 1 1 419.550 4.333 20 30 HIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940684 855305649 /nfs/dbraw/zinc/30/56/49/855305649.db2.gz SOYPDLPHPLJDDQ-ZDUSSCGKSA-N 1 1 402.589 4.457 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@H]3CCOC3)sc2C1 ZINC000426435708 856289446 /nfs/dbraw/zinc/28/94/46/856289446.db2.gz DNHRXPHHMANLGX-HZPDHXFCSA-N 1 1 403.592 4.068 20 30 HIEDMO N#Cc1c(F)cccc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000426634860 856385256 /nfs/dbraw/zinc/38/52/56/856385256.db2.gz QRNKAVNZISKIRK-UHFFFAOYSA-N 1 1 405.395 4.111 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437533570 862870476 /nfs/dbraw/zinc/87/04/76/862870476.db2.gz CDWYNJUHCRUYIE-FPOVZHCZSA-N 1 1 423.582 4.210 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437533570 862870477 /nfs/dbraw/zinc/87/04/77/862870477.db2.gz CDWYNJUHCRUYIE-FPOVZHCZSA-N 1 1 423.582 4.210 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546141 862877352 /nfs/dbraw/zinc/87/73/52/862877352.db2.gz FOMSQOMVTDUXQI-CRAIPNDOSA-N 1 1 407.461 4.451 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783280 857336631 /nfs/dbraw/zinc/33/66/31/857336631.db2.gz MWTPTOJIYQEQBC-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783280 857336635 /nfs/dbraw/zinc/33/66/35/857336635.db2.gz MWTPTOJIYQEQBC-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069934 857491981 /nfs/dbraw/zinc/49/19/81/857491981.db2.gz SHPQJKWOYRKPCQ-CRAIPNDOSA-N 1 1 414.456 4.192 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nc1 ZINC000430186160 858072694 /nfs/dbraw/zinc/07/26/94/858072694.db2.gz KESHMRAGKXTJNE-QGZVFWFLSA-N 1 1 402.479 4.476 20 30 HIEDMO N#CCCC[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000432921740 859431478 /nfs/dbraw/zinc/43/14/78/859431478.db2.gz GAMCHGWJLFIMCT-HSZRJFAPSA-N 1 1 406.530 4.118 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)cc1 ZINC000433292847 859622637 /nfs/dbraw/zinc/62/26/37/859622637.db2.gz ANASOXRSSYOXLX-KRWDZBQOSA-N 1 1 423.314 4.435 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c2ccc(C)cc2)cc1 ZINC000433698857 859842689 /nfs/dbraw/zinc/84/26/89/859842689.db2.gz IRXBVZJQHNCKNV-VXKWHMMOSA-N 1 1 417.534 4.421 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700942 859843346 /nfs/dbraw/zinc/84/33/46/859843346.db2.gz YGPNCYYEHZJYLF-DNQXCXABSA-N 1 1 415.468 4.190 20 30 HIEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434662499 860450125 /nfs/dbraw/zinc/45/01/25/860450125.db2.gz CGFGTNHQDRTWGB-RKDDFOCISA-N 1 1 413.537 4.040 20 30 HIEDMO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000434903355 860546494 /nfs/dbraw/zinc/54/64/94/860546494.db2.gz IZSMUSVJSWXLLM-HXUWFJFHSA-N 1 1 413.521 4.213 20 30 HIEDMO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000434903355 860546498 /nfs/dbraw/zinc/54/64/98/860546498.db2.gz IZSMUSVJSWXLLM-HXUWFJFHSA-N 1 1 413.521 4.213 20 30 HIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986021 860587154 /nfs/dbraw/zinc/58/71/54/860587154.db2.gz FASGCMAVBWIQOZ-MBSDFSHPSA-N 1 1 401.514 4.450 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc2)cs1 ZINC000434987725 860587258 /nfs/dbraw/zinc/58/72/58/860587258.db2.gz VMVHTJUVZVIRPE-DEOSSOPVSA-N 1 1 418.566 4.413 20 30 HIEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000435099359 860641248 /nfs/dbraw/zinc/64/12/48/860641248.db2.gz UHVMOUITCZZKHW-PKTZIBPZSA-N 1 1 418.541 4.422 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c(OC)c1 ZINC000435136537 860658599 /nfs/dbraw/zinc/65/85/99/860658599.db2.gz DFIGYJLLXGKTAE-JOCHJYFZSA-N 1 1 417.513 4.213 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435379976 860776220 /nfs/dbraw/zinc/77/62/20/860776220.db2.gz OOZRXNROGKKXLH-OAQYLSRUSA-N 1 1 402.498 4.147 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000435768308 861044210 /nfs/dbraw/zinc/04/42/10/861044210.db2.gz CDJNWMDJDLWLSU-SFHVURJKSA-N 1 1 405.502 4.151 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437825423 863171135 /nfs/dbraw/zinc/17/11/35/863171135.db2.gz ACIISJZDCWMIPA-OAQYLSRUSA-N 1 1 406.530 4.333 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000437851489 863210537 /nfs/dbraw/zinc/21/05/37/863210537.db2.gz SKIBJWVLSIKTAC-FQEVSTJZSA-N 1 1 422.529 4.017 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000437861450 863220489 /nfs/dbraw/zinc/22/04/89/863220489.db2.gz BJUXGZIVIYLIIG-FQEVSTJZSA-N 1 1 407.514 4.257 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000437897259 863269583 /nfs/dbraw/zinc/26/95/83/863269583.db2.gz NNIWXKLLIPURKR-GHTZIAJQSA-N 1 1 406.530 4.278 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000438186393 863612830 /nfs/dbraw/zinc/61/28/30/863612830.db2.gz OGCOIXNRSGXESE-IHWFROFDSA-N 1 1 420.513 4.496 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)sc2c1CCCC2 ZINC000439000337 864454929 /nfs/dbraw/zinc/45/49/29/864454929.db2.gz AAMFDGLPMLMXIU-MISYRCLQSA-N 1 1 415.603 4.233 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000439177258 864606224 /nfs/dbraw/zinc/60/62/24/864606224.db2.gz CZYPEXLOUQTNKV-UHFFFAOYSA-N 1 1 412.331 4.024 20 30 HIEDMO CCCc1c(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439664397 864994566 /nfs/dbraw/zinc/99/45/66/864994566.db2.gz OOZNGQGAPWYEPY-LJQANCHMSA-N 1 1 422.577 4.473 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000439791714 865111840 /nfs/dbraw/zinc/11/18/40/865111840.db2.gz GQEYSTKAJBSNAC-UHFFFAOYSA-N 1 1 417.509 4.181 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000439791714 865111846 /nfs/dbraw/zinc/11/18/46/865111846.db2.gz GQEYSTKAJBSNAC-UHFFFAOYSA-N 1 1 417.509 4.181 20 30 HIEDMO CCCc1c(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000440081620 865346039 /nfs/dbraw/zinc/34/60/39/865346039.db2.gz TYYVGQRJLFVRPH-IBGZPJMESA-N 1 1 405.546 4.290 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000440543408 865812428 /nfs/dbraw/zinc/81/24/28/865812428.db2.gz MOFPXBWXVZDWFX-WIOPSUGQSA-N 1 1 419.569 4.332 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060185 866139735 /nfs/dbraw/zinc/13/97/35/866139735.db2.gz JWYGUPHLSPBPAS-GXTWGEPZSA-N 1 1 408.449 4.240 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060185 866139779 /nfs/dbraw/zinc/13/97/79/866139779.db2.gz JWYGUPHLSPBPAS-GXTWGEPZSA-N 1 1 408.449 4.240 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sc2c1CCC2 ZINC000441228423 866304763 /nfs/dbraw/zinc/30/47/63/866304763.db2.gz JXFFJTYUMJIDKB-UHFFFAOYSA-N 1 1 410.499 4.010 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000441290043 866364494 /nfs/dbraw/zinc/36/44/94/866364494.db2.gz WWCDYCFVBLONCF-JTSKRJEESA-N 1 1 406.505 4.034 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441352345 866421940 /nfs/dbraw/zinc/42/19/40/866421940.db2.gz KJQXPIISFOLUJU-DENIHFKCSA-N 1 1 420.557 4.233 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441352033 866422194 /nfs/dbraw/zinc/42/21/94/866422194.db2.gz DEACYXFCZUQURB-UHFFFAOYSA-N 1 1 424.589 4.170 20 30 HIEDMO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000441544679 866620582 /nfs/dbraw/zinc/62/05/82/866620582.db2.gz KMTPVPBTTDZPFK-XMSQKQJNSA-N 1 1 401.514 4.266 20 30 HIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443307185 867898161 /nfs/dbraw/zinc/89/81/61/867898161.db2.gz BVMCVJUUNNVSMJ-HNNXBMFYSA-N 1 1 407.337 4.283 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456266 868045236 /nfs/dbraw/zinc/04/52/36/868045236.db2.gz SXWRDVSZHPPSDV-PKTZIBPZSA-N 1 1 413.949 4.472 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443637844 868221213 /nfs/dbraw/zinc/22/12/13/868221213.db2.gz CEOXADZRGAHIMP-MRXNPFEDSA-N 1 1 403.417 4.268 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000443875905 868408679 /nfs/dbraw/zinc/40/86/79/868408679.db2.gz HBYLNJMEVJPYOK-GASCZTMLSA-N 1 1 417.431 4.439 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000443875905 868408688 /nfs/dbraw/zinc/40/86/88/868408688.db2.gz HBYLNJMEVJPYOK-GASCZTMLSA-N 1 1 417.431 4.439 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)sc2c1CCCC2 ZINC000444211805 868668133 /nfs/dbraw/zinc/66/81/33/868668133.db2.gz ISOZQHFHHCPMHZ-QGZVFWFLSA-N 1 1 401.576 4.251 20 30 HIEDMO N#CC(CC[NH+]1CCN(Cc2cscn2)CC1)(c1ccccc1)c1ccccc1 ZINC000444616507 868909316 /nfs/dbraw/zinc/90/93/16/868909316.db2.gz CKRGVVXWJJDNPA-UHFFFAOYSA-N 1 1 402.567 4.161 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000444648604 868928610 /nfs/dbraw/zinc/92/86/10/868928610.db2.gz JSIQXYPVZNOZRB-CVDCTZTESA-N 1 1 420.557 4.292 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444665828 868944173 /nfs/dbraw/zinc/94/41/73/868944173.db2.gz PWPKRVYVWWXVKV-LLVKDONJSA-N 1 1 403.820 4.246 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444737576 868983015 /nfs/dbraw/zinc/98/30/15/868983015.db2.gz RALURTZCYFFKKY-DOMZBBRYSA-N 1 1 409.374 4.297 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000444796404 869012726 /nfs/dbraw/zinc/01/27/26/869012726.db2.gz BLBSNRZQJSDJFS-QFIPXVFZSA-N 1 1 416.525 4.259 20 30 HIEDMO C=CC[C@@H]1N(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCC1(C)C ZINC000445091964 869211055 /nfs/dbraw/zinc/21/10/55/869211055.db2.gz LNWUXOZFACTFSC-FQEVSTJZSA-N 1 1 402.583 4.280 20 30 HIEDMO COCC[N@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)Cc1ccc(C#N)cc1 ZINC000468395445 882337672 /nfs/dbraw/zinc/33/76/72/882337672.db2.gz MTPZBLHZXJMNFJ-UHFFFAOYSA-N 1 1 418.541 4.077 20 30 HIEDMO COCC[N@@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)Cc1ccc(C#N)cc1 ZINC000468395445 882337693 /nfs/dbraw/zinc/33/76/93/882337693.db2.gz MTPZBLHZXJMNFJ-UHFFFAOYSA-N 1 1 418.541 4.077 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(F)c(F)c1)c1cccc(SC)c1 ZINC000447340680 871237042 /nfs/dbraw/zinc/23/70/42/871237042.db2.gz MCMWUHNWLXLDOB-NRFANRHFSA-N 1 1 403.498 4.128 20 30 HIEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000447669643 871599859 /nfs/dbraw/zinc/59/98/59/871599859.db2.gz JVUYMZZHKFQAHF-UHFFFAOYSA-N 1 1 405.590 4.225 20 30 HIEDMO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883287 871798719 /nfs/dbraw/zinc/79/87/19/871798719.db2.gz SBTVZIAWADBLFA-AUSIDOKSSA-N 1 1 418.541 4.101 20 30 HIEDMO CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883287 871798737 /nfs/dbraw/zinc/79/87/37/871798737.db2.gz SBTVZIAWADBLFA-AUSIDOKSSA-N 1 1 418.541 4.101 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000448195513 872078797 /nfs/dbraw/zinc/07/87/97/872078797.db2.gz CWFJRTNWZPDVFR-DHLKQENFSA-N 1 1 415.537 4.226 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000448226881 872140271 /nfs/dbraw/zinc/14/02/71/872140271.db2.gz WJDBXTTWZGTBPY-LJQANCHMSA-N 1 1 411.575 4.095 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468568222 882629561 /nfs/dbraw/zinc/62/95/61/882629561.db2.gz BVQJJEOJRLSMSS-BETUJISGSA-N 1 1 422.476 4.436 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468568222 882629600 /nfs/dbraw/zinc/62/96/00/882629600.db2.gz BVQJJEOJRLSMSS-BETUJISGSA-N 1 1 422.476 4.436 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460195411 872768767 /nfs/dbraw/zinc/76/87/67/872768767.db2.gz IAQHLOJZOFFXJO-XXBNENTESA-N 1 1 414.557 4.326 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460379387 873019049 /nfs/dbraw/zinc/01/90/49/873019049.db2.gz HNSCHKFOZIDTLK-UYAOXDASSA-N 1 1 406.578 4.235 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncoc3-c3ccccc3Cl)CC2)cc1 ZINC000460693193 873456450 /nfs/dbraw/zinc/45/64/50/873456450.db2.gz WWNKODRCEPZYHL-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncoc3-c3ccccc3Cl)CC2)cc1 ZINC000460693193 873456466 /nfs/dbraw/zinc/45/64/66/873456466.db2.gz WWNKODRCEPZYHL-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460770181 873617815 /nfs/dbraw/zinc/61/78/15/873617815.db2.gz LMWFCDVHHPXECK-UHFFFAOYSA-N 1 1 405.999 4.332 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460777799 873630357 /nfs/dbraw/zinc/63/03/57/873630357.db2.gz IXBQFKDHTIFLON-YPIGPJMWSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460784652 873642586 /nfs/dbraw/zinc/64/25/86/873642586.db2.gz HOVGCLYGZXRUDG-IBGZPJMESA-N 1 1 402.546 4.051 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460786517 873645180 /nfs/dbraw/zinc/64/51/80/873645180.db2.gz KCXITTYUFGLQNS-FUHWJXTLSA-N 1 1 417.985 4.492 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460801306 873673314 /nfs/dbraw/zinc/67/33/14/873673314.db2.gz WCCFATFSFZJHAT-WFXMLNOXSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460935813 873836350 /nfs/dbraw/zinc/83/63/50/873836350.db2.gz WXRPMBKXCHTHIP-UXHICEINSA-N 1 1 402.546 4.015 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460947712 873845983 /nfs/dbraw/zinc/84/59/83/873845983.db2.gz HQRBJKSCTDUNAN-HBFSDRIKSA-N 1 1 415.557 4.442 20 30 HIEDMO N#CCCCn1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000468840925 882885460 /nfs/dbraw/zinc/88/54/60/882885460.db2.gz FCGNWXKYWCWRCB-UHFFFAOYSA-N 1 1 416.525 4.072 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237499 875350703 /nfs/dbraw/zinc/35/07/03/875350703.db2.gz LODOMZQGYXRXRR-WMZHIEFXSA-N 1 1 413.525 4.252 20 30 HIEDMO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363032 876418331 /nfs/dbraw/zinc/41/83/31/876418331.db2.gz YGMZILXFAKDSOJ-UHFFFAOYSA-N 1 1 408.571 4.329 20 30 HIEDMO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363032 876418337 /nfs/dbraw/zinc/41/83/37/876418337.db2.gz YGMZILXFAKDSOJ-UHFFFAOYSA-N 1 1 408.571 4.329 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999171 883065836 /nfs/dbraw/zinc/06/58/36/883065836.db2.gz NVEUJQKYVMVPEN-KRWDZBQOSA-N 1 1 404.539 4.299 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999171 883065857 /nfs/dbraw/zinc/06/58/57/883065857.db2.gz NVEUJQKYVMVPEN-KRWDZBQOSA-N 1 1 404.539 4.299 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000464416163 877623800 /nfs/dbraw/zinc/62/38/00/877623800.db2.gz GOCVXAVEWVMBFC-TZIWHRDSSA-N 1 1 408.542 4.385 20 30 HIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000503292473 912275907 /nfs/dbraw/zinc/27/59/07/912275907.db2.gz SRVSQRUWLIYIMB-NRFANRHFSA-N 1 1 406.530 4.185 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466614684 880385623 /nfs/dbraw/zinc/38/56/23/880385623.db2.gz WJHFKSGUOOLIMK-NGRWLJPCSA-N 1 1 421.545 4.042 20 30 HIEDMO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467505893 881320832 /nfs/dbraw/zinc/32/08/32/881320832.db2.gz XYHGAMMLQTVORJ-UHFFFAOYSA-N 1 1 419.422 4.373 20 30 HIEDMO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467505893 881320853 /nfs/dbraw/zinc/32/08/53/881320853.db2.gz XYHGAMMLQTVORJ-UHFFFAOYSA-N 1 1 419.422 4.373 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442301 883636155 /nfs/dbraw/zinc/63/61/55/883636155.db2.gz GWHSRFRKTMZKDS-RSPOEFSDSA-N 1 1 410.480 4.186 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000469586830 883825250 /nfs/dbraw/zinc/82/52/50/883825250.db2.gz KVVBERZLQWJCAN-FPOVZHCZSA-N 1 1 400.526 4.338 20 30 HIEDMO CC[C@@H](C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736153 883894323 /nfs/dbraw/zinc/89/43/23/883894323.db2.gz WCQSFJKNKGINMC-HNAYVOBHSA-N 1 1 406.313 4.181 20 30 HIEDMO CC[C@@H](C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736153 883894330 /nfs/dbraw/zinc/89/43/30/883894330.db2.gz WCQSFJKNKGINMC-HNAYVOBHSA-N 1 1 406.313 4.181 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000469755068 883917539 /nfs/dbraw/zinc/91/75/39/883917539.db2.gz FSNHNBSGZLIPDL-RYUDHWBXSA-N 1 1 420.307 4.217 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C)o1 ZINC000470002477 884219170 /nfs/dbraw/zinc/21/91/70/884219170.db2.gz GFMMTIXKUIPHGP-UHFFFAOYSA-N 1 1 415.559 4.267 20 30 HIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000470011615 884228356 /nfs/dbraw/zinc/22/83/56/884228356.db2.gz LSXVIDQJXCPJOX-CYBMUJFWSA-N 1 1 400.338 4.124 20 30 HIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000470011615 884228372 /nfs/dbraw/zinc/22/83/72/884228372.db2.gz LSXVIDQJXCPJOX-CYBMUJFWSA-N 1 1 400.338 4.124 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)CC2)cs1 ZINC000470587263 885003267 /nfs/dbraw/zinc/00/32/67/885003267.db2.gz HLMXYTQQZDFWIK-UHFFFAOYSA-N 1 1 402.608 4.278 20 30 HIEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958563 885457687 /nfs/dbraw/zinc/45/76/87/885457687.db2.gz KWTFPUTUVNZRRM-FYYLOGMGSA-N 1 1 420.944 4.065 20 30 HIEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958563 885457699 /nfs/dbraw/zinc/45/76/99/885457699.db2.gz KWTFPUTUVNZRRM-FYYLOGMGSA-N 1 1 420.944 4.065 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000471037681 885547230 /nfs/dbraw/zinc/54/72/30/885547230.db2.gz LKVNVRFVIFIBKN-HNNXBMFYSA-N 1 1 400.573 4.392 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559214 /nfs/dbraw/zinc/55/92/14/885559214.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 1 1 407.558 4.310 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)cc1 ZINC000471475938 886169185 /nfs/dbraw/zinc/16/91/85/886169185.db2.gz LJKVBOGMHBJQOH-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)cc1 ZINC000471475938 886169194 /nfs/dbraw/zinc/16/91/94/886169194.db2.gz LJKVBOGMHBJQOH-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C(C)C)N2CCCC2)cc1OC ZINC000504120146 913027391 /nfs/dbraw/zinc/02/73/91/913027391.db2.gz OULPKDRVHPCYJC-GOSISDBHSA-N 1 1 411.384 4.233 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000471857152 886627683 /nfs/dbraw/zinc/62/76/83/886627683.db2.gz BYANMOOBFNFDOL-UHFFFAOYSA-N 1 1 410.562 4.291 20 30 HIEDMO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc2ccccc2o1 ZINC000472277060 887093240 /nfs/dbraw/zinc/09/32/40/887093240.db2.gz LOJOLQWDECCAOT-UHFFFAOYSA-N 1 1 400.400 4.051 20 30 HIEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc2ccccc2o1 ZINC000472277060 887093256 /nfs/dbraw/zinc/09/32/56/887093256.db2.gz LOJOLQWDECCAOT-UHFFFAOYSA-N 1 1 400.400 4.051 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000472320576 887154227 /nfs/dbraw/zinc/15/42/27/887154227.db2.gz WYGCBYZEHBGJML-MAUKXSAKSA-N 1 1 420.847 4.380 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000472320576 887154232 /nfs/dbraw/zinc/15/42/32/887154232.db2.gz WYGCBYZEHBGJML-MAUKXSAKSA-N 1 1 420.847 4.380 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000472320557 887154244 /nfs/dbraw/zinc/15/42/44/887154244.db2.gz WYGCBYZEHBGJML-CRAIPNDOSA-N 1 1 420.847 4.380 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000472320557 887154249 /nfs/dbraw/zinc/15/42/49/887154249.db2.gz WYGCBYZEHBGJML-CRAIPNDOSA-N 1 1 420.847 4.380 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472410250 887259010 /nfs/dbraw/zinc/25/90/10/887259010.db2.gz NQEBCZJQRQNRHV-YADHBBJMSA-N 1 1 413.587 4.125 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472410250 887259023 /nfs/dbraw/zinc/25/90/23/887259023.db2.gz NQEBCZJQRQNRHV-YADHBBJMSA-N 1 1 413.587 4.125 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472431217 887280157 /nfs/dbraw/zinc/28/01/57/887280157.db2.gz MJTGFXVLEUEGOP-HXUWFJFHSA-N 1 1 401.510 4.453 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000472439510 887288505 /nfs/dbraw/zinc/28/85/05/887288505.db2.gz NJEMPVDKSHYLKX-OAQYLSRUSA-N 1 1 405.502 4.112 20 30 HIEDMO Cc1noc(C)c1CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000472573296 887458442 /nfs/dbraw/zinc/45/84/42/887458442.db2.gz FVWPLJCWYRBIRC-UHFFFAOYSA-N 1 1 414.553 4.309 20 30 HIEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000472746709 887592000 /nfs/dbraw/zinc/59/20/00/887592000.db2.gz GBMMDKUJHGJRBV-PLXFJCCSSA-N 1 1 417.597 4.460 20 30 HIEDMO N#CCCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000473579006 888320553 /nfs/dbraw/zinc/32/05/53/888320553.db2.gz UDOYKHKYICRVCK-SZPZYZBQSA-N 1 1 412.537 4.149 20 30 HIEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829488 888663233 /nfs/dbraw/zinc/66/32/33/888663233.db2.gz NPKOEXZUQIAPHH-FBBABVLZSA-N 1 1 412.496 4.433 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474148063 888976375 /nfs/dbraw/zinc/97/63/75/888976375.db2.gz UUVXHCKUXLPMOL-UTKZUKDTSA-N 1 1 411.908 4.192 20 30 HIEDMO CC(C)(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000474152456 888983066 /nfs/dbraw/zinc/98/30/66/888983066.db2.gz HRYZWPWDFMWBND-UHFFFAOYSA-N 1 1 405.477 4.122 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161206 888998560 /nfs/dbraw/zinc/99/85/60/888998560.db2.gz XCNRMJSIKOAWSS-YADHBBJMSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161206 888998584 /nfs/dbraw/zinc/99/85/84/888998584.db2.gz XCNRMJSIKOAWSS-YADHBBJMSA-N 1 1 409.480 4.208 20 30 HIEDMO Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC[NH+]3CCOCC3)n2)o1 ZINC000504553984 913328419 /nfs/dbraw/zinc/32/84/19/913328419.db2.gz JDFQPXAHPQQGAF-UHFFFAOYSA-N 1 1 411.449 4.355 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000475792179 890731009 /nfs/dbraw/zinc/73/10/09/890731009.db2.gz CQOUGXQTRIIXKW-UHFFFAOYSA-N 1 1 417.538 4.422 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000475792179 890731018 /nfs/dbraw/zinc/73/10/18/890731018.db2.gz CQOUGXQTRIIXKW-UHFFFAOYSA-N 1 1 417.538 4.422 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cs1 ZINC000475924745 890851172 /nfs/dbraw/zinc/85/11/72/890851172.db2.gz FLNHRBZYKIHTBK-UHFFFAOYSA-N 1 1 410.587 4.149 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1F ZINC000476037591 890969066 /nfs/dbraw/zinc/96/90/66/890969066.db2.gz ZARUOBOHMHIQKI-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1F ZINC000476037591 890969078 /nfs/dbraw/zinc/96/90/78/890969078.db2.gz ZARUOBOHMHIQKI-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476483636 891394553 /nfs/dbraw/zinc/39/45/53/891394553.db2.gz AWSRQQKZHJQYNT-DHIUTWEWSA-N 1 1 405.542 4.293 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000477069464 892003546 /nfs/dbraw/zinc/00/35/46/892003546.db2.gz BJNZPVDEGBPCMK-DEOSSOPVSA-N 1 1 422.960 4.138 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036481 893169316 /nfs/dbraw/zinc/16/93/16/893169316.db2.gz KZBAMUPKQUMVNP-HKUYNNGSSA-N 1 1 416.587 4.192 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000478236677 893399470 /nfs/dbraw/zinc/39/94/70/893399470.db2.gz UOCZUCZABWRFMO-KDURUIRLSA-N 1 1 415.541 4.180 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000479842014 895171046 /nfs/dbraw/zinc/17/10/46/895171046.db2.gz NVLHXWMJMSQHKQ-UHFFFAOYSA-N 1 1 403.507 4.200 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000479842014 895171061 /nfs/dbraw/zinc/17/10/61/895171061.db2.gz NVLHXWMJMSQHKQ-UHFFFAOYSA-N 1 1 403.507 4.200 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1Br ZINC000480078880 895432578 /nfs/dbraw/zinc/43/25/78/895432578.db2.gz BWFORCKTPTUZOG-HNNXBMFYSA-N 1 1 424.346 4.370 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)[NH+](C)C ZINC000480204849 895604283 /nfs/dbraw/zinc/60/42/83/895604283.db2.gz UNKSXEAVYQXGTA-OAQYLSRUSA-N 1 1 415.493 4.392 20 30 HIEDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000480889559 896246442 /nfs/dbraw/zinc/24/64/42/896246442.db2.gz OYDSJPIRTMKPFF-NRFANRHFSA-N 1 1 411.933 4.454 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183953 896529472 /nfs/dbraw/zinc/52/94/72/896529472.db2.gz SRUSBLZIEGABDT-FPOVZHCZSA-N 1 1 409.599 4.403 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(F)c(F)c1 ZINC000481573016 896951959 /nfs/dbraw/zinc/95/19/59/896951959.db2.gz SEMOAONPOJNLQX-VBKZILBWSA-N 1 1 402.441 4.294 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481579940 896959295 /nfs/dbraw/zinc/95/92/95/896959295.db2.gz RBHPXLCBJMCVNE-RCDICMHDSA-N 1 1 404.457 4.066 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481584275 896964365 /nfs/dbraw/zinc/96/43/65/896964365.db2.gz DZPJBIBSYVBCPT-NYHFZMIOSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(F)c(F)c1 ZINC000481585949 896966752 /nfs/dbraw/zinc/96/67/52/896966752.db2.gz JOBIXNOTAOVHBK-JOCHJYFZSA-N 1 1 400.473 4.196 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481597846 896976949 /nfs/dbraw/zinc/97/69/49/896976949.db2.gz KYUDGLNDQSNLBY-BLVKFPJESA-N 1 1 405.401 4.116 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481624520 897009085 /nfs/dbraw/zinc/00/90/85/897009085.db2.gz OBWSRIUXSGLLLU-FQEVSTJZSA-N 1 1 405.401 4.117 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 ZINC000481633706 897017470 /nfs/dbraw/zinc/01/74/70/897017470.db2.gz YRPGCWJSLBLNLT-FQEVSTJZSA-N 1 1 422.460 4.294 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C1 ZINC000482514538 898100605 /nfs/dbraw/zinc/10/06/05/898100605.db2.gz UVWZFHNWNOJANT-GOSISDBHSA-N 1 1 407.514 4.075 20 30 HIEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000482998368 898646812 /nfs/dbraw/zinc/64/68/12/898646812.db2.gz JLEZRRXBAKQTDX-VWLOTQADSA-N 1 1 420.557 4.057 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@H]21 ZINC000483040767 898710542 /nfs/dbraw/zinc/71/05/42/898710542.db2.gz AFRSXMRYRNNMOC-XUZZJYLKSA-N 1 1 418.541 4.280 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000505583624 914292035 /nfs/dbraw/zinc/29/20/35/914292035.db2.gz DINKWYKHOPDJES-IFMALSPDSA-N 1 1 419.569 4.161 20 30 HIEDMO N#Cc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1F ZINC000483244461 898886589 /nfs/dbraw/zinc/88/65/89/898886589.db2.gz ZHZOIRWXAKXSDH-INIZCTEOSA-N 1 1 417.200 4.302 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483332968 898961781 /nfs/dbraw/zinc/96/17/81/898961781.db2.gz CRSZOUFOOBXJDX-NQIIRXRSSA-N 1 1 420.513 4.307 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483332969 898962439 /nfs/dbraw/zinc/96/24/39/898962439.db2.gz CRSZOUFOOBXJDX-RXVVDRJESA-N 1 1 420.513 4.307 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000483364194 899000501 /nfs/dbraw/zinc/00/05/01/899000501.db2.gz BXCPNJXEIFSHKW-UHFFFAOYSA-N 1 1 400.404 4.431 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000483364194 899000518 /nfs/dbraw/zinc/00/05/18/899000518.db2.gz BXCPNJXEIFSHKW-UHFFFAOYSA-N 1 1 400.404 4.431 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483643357 899299246 /nfs/dbraw/zinc/29/92/46/899299246.db2.gz XGPNMBMSBTUZCV-MRXNPFEDSA-N 1 1 400.523 4.473 20 30 HIEDMO C=C(C)COc1cc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OC ZINC000505637267 914337783 /nfs/dbraw/zinc/33/77/83/914337783.db2.gz RJZBTCSGVKDZGW-UHFFFAOYSA-N 1 1 404.457 4.389 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OC ZINC000505637267 914337796 /nfs/dbraw/zinc/33/77/96/914337796.db2.gz RJZBTCSGVKDZGW-UHFFFAOYSA-N 1 1 404.457 4.389 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484008398 899645654 /nfs/dbraw/zinc/64/56/54/899645654.db2.gz MKQCROKIOPFMBF-PMACEKPBSA-N 1 1 422.495 4.144 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 ZINC000484304147 899865200 /nfs/dbraw/zinc/86/52/00/899865200.db2.gz DKOIZZBYBNVJMQ-UHFFFAOYSA-N 1 1 414.534 4.375 20 30 HIEDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000485012283 900360861 /nfs/dbraw/zinc/36/08/61/900360861.db2.gz LQUSDWIDQOLIRC-UHFFFAOYSA-N 1 1 418.585 4.410 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000485046655 900380193 /nfs/dbraw/zinc/38/01/93/900380193.db2.gz TXNSGOKKAXDPEB-UHFFFAOYSA-N 1 1 405.420 4.054 20 30 HIEDMO C=CCOc1ccccc1C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000485229426 900514481 /nfs/dbraw/zinc/51/44/81/900514481.db2.gz JTCKOMULRQOOLE-UHFFFAOYSA-N 1 1 423.557 4.008 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CCc1nccs1 ZINC000485448950 900743065 /nfs/dbraw/zinc/74/30/65/900743065.db2.gz BPMMIZMRNYRUJK-CQSZACIVSA-N 1 1 402.589 4.094 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000485469089 900762996 /nfs/dbraw/zinc/76/29/96/900762996.db2.gz VCRGUIUKYQEPKD-JOCHJYFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000485469089 900763005 /nfs/dbraw/zinc/76/30/05/900763005.db2.gz VCRGUIUKYQEPKD-JOCHJYFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000485469089 900763014 /nfs/dbraw/zinc/76/30/14/900763014.db2.gz VCRGUIUKYQEPKD-JOCHJYFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000485677444 900929397 /nfs/dbraw/zinc/92/93/97/900929397.db2.gz FDWZTKIKBSOEFE-HXUWFJFHSA-N 1 1 418.545 4.247 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(-c2ccccc2)n1 ZINC000505891076 914533941 /nfs/dbraw/zinc/53/39/41/914533941.db2.gz HRYUVBOHFAKYCN-UHFFFAOYSA-N 1 1 405.933 4.439 20 30 HIEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486279478 901463264 /nfs/dbraw/zinc/46/32/64/901463264.db2.gz BJFLIOVCDYOMBH-QGZVFWFLSA-N 1 1 419.554 4.146 20 30 HIEDMO COc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc(OC)c1OC ZINC000487381876 902172698 /nfs/dbraw/zinc/17/26/98/902172698.db2.gz TWBNUMCUTXTOKN-UHFFFAOYSA-N 1 1 422.485 4.045 20 30 HIEDMO COc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc(OC)c1OC ZINC000487381876 902172705 /nfs/dbraw/zinc/17/27/05/902172705.db2.gz TWBNUMCUTXTOKN-UHFFFAOYSA-N 1 1 422.485 4.045 20 30 HIEDMO CC(C)(C#N)c1ccccc1C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000487417202 902200562 /nfs/dbraw/zinc/20/05/62/902200562.db2.gz RYERQJAZBOATDT-UHFFFAOYSA-N 1 1 405.311 4.384 20 30 HIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000487417202 902200576 /nfs/dbraw/zinc/20/05/76/902200576.db2.gz RYERQJAZBOATDT-UHFFFAOYSA-N 1 1 405.311 4.384 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)c1C#N ZINC000487961504 902487528 /nfs/dbraw/zinc/48/75/28/902487528.db2.gz WPDQOPVVKQOSGD-UHFFFAOYSA-N 1 1 408.477 4.136 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)c1C#N ZINC000487961504 902487545 /nfs/dbraw/zinc/48/75/45/902487545.db2.gz WPDQOPVVKQOSGD-UHFFFAOYSA-N 1 1 408.477 4.136 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500075 902856880 /nfs/dbraw/zinc/85/68/80/902856880.db2.gz OWQSTAHUCNQAFW-CWTRNNRKSA-N 1 1 406.288 4.456 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000488663445 902926188 /nfs/dbraw/zinc/92/61/88/902926188.db2.gz XHAVKOGAGLMHKZ-QFIPXVFZSA-N 1 1 403.570 4.071 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397603 903365960 /nfs/dbraw/zinc/36/59/60/903365960.db2.gz RVAGLWOXPQDGFO-AUSIDOKSSA-N 1 1 422.598 4.001 20 30 HIEDMO COc1cccc2c1CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC2 ZINC000489537450 903446977 /nfs/dbraw/zinc/44/69/77/903446977.db2.gz VAWSFVXYCFKJEI-UHFFFAOYSA-N 1 1 420.557 4.140 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC2 ZINC000489537450 903446992 /nfs/dbraw/zinc/44/69/92/903446992.db2.gz VAWSFVXYCFKJEI-UHFFFAOYSA-N 1 1 420.557 4.140 20 30 HIEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908269 903666682 /nfs/dbraw/zinc/66/66/82/903666682.db2.gz FLVNCAVNUOCBFF-JXQFQVJHSA-N 1 1 402.542 4.097 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)sc2c1CCCC2 ZINC000490042764 903738103 /nfs/dbraw/zinc/73/81/03/903738103.db2.gz OUWMLLLVZOPUQZ-SFHVURJKSA-N 1 1 408.571 4.404 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330004 903917334 /nfs/dbraw/zinc/91/73/34/903917334.db2.gz YJKPSKOUAOKBMK-FCHUYYIVSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330004 903917356 /nfs/dbraw/zinc/91/73/56/903917356.db2.gz YJKPSKOUAOKBMK-FCHUYYIVSA-N 1 1 409.480 4.208 20 30 HIEDMO Cn1cc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490439290 904012659 /nfs/dbraw/zinc/01/26/59/904012659.db2.gz WRKDTPQNSGSBHN-UHFFFAOYSA-N 1 1 409.896 4.073 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490536948 904085410 /nfs/dbraw/zinc/08/54/10/904085410.db2.gz CHDJMMFXBKWIRR-UHFFFAOYSA-N 1 1 421.932 4.463 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490536948 904085417 /nfs/dbraw/zinc/08/54/17/904085417.db2.gz CHDJMMFXBKWIRR-UHFFFAOYSA-N 1 1 421.932 4.463 20 30 HIEDMO Cn1cc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000490570875 904108198 /nfs/dbraw/zinc/10/81/98/904108198.db2.gz RDSDXJQEAIGSDW-XMMPIXPASA-N 1 1 400.526 4.221 20 30 HIEDMO COc1ccccc1C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000491115543 904439497 /nfs/dbraw/zinc/43/94/97/904439497.db2.gz YXWREHHXINXGEL-QHCPKHFHSA-N 1 1 416.525 4.149 20 30 HIEDMO COc1ccccc1C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000491115543 904439502 /nfs/dbraw/zinc/43/95/02/904439502.db2.gz YXWREHHXINXGEL-QHCPKHFHSA-N 1 1 416.525 4.149 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491140306 904451920 /nfs/dbraw/zinc/45/19/20/904451920.db2.gz SPYTVEYAKXYIAF-UHFFFAOYSA-N 1 1 401.514 4.118 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491140306 904451930 /nfs/dbraw/zinc/45/19/30/904451930.db2.gz SPYTVEYAKXYIAF-UHFFFAOYSA-N 1 1 401.514 4.118 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491167239 904465253 /nfs/dbraw/zinc/46/52/53/904465253.db2.gz LOLAXFXJCJJPIX-OAQYLSRUSA-N 1 1 400.482 4.067 20 30 HIEDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491239922 904497780 /nfs/dbraw/zinc/49/77/80/904497780.db2.gz QZNWSDHJEDHNIT-QGZVFWFLSA-N 1 1 421.495 4.116 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000506146979 914824110 /nfs/dbraw/zinc/82/41/10/914824110.db2.gz FGMUIDNWLOMTAN-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000506146979 914824111 /nfs/dbraw/zinc/82/41/11/914824111.db2.gz FGMUIDNWLOMTAN-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)cc1 ZINC000506176724 914834408 /nfs/dbraw/zinc/83/44/08/914834408.db2.gz XXSWIUQJJOUYDH-UHFFFAOYSA-N 1 1 414.340 4.221 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000492662850 904884732 /nfs/dbraw/zinc/88/47/32/904884732.db2.gz YSCVPJJLJGXJTB-HXUWFJFHSA-N 1 1 411.615 4.427 20 30 HIEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417531 921145125 /nfs/dbraw/zinc/14/51/25/921145125.db2.gz ZFWXWCLMYHIQNG-HSZRJFAPSA-N 1 1 405.542 4.266 20 30 HIEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1c1ccc(Cl)cc1 ZINC000494265378 905589221 /nfs/dbraw/zinc/58/92/21/905589221.db2.gz OUKMWBJKJMFDGQ-MJGOQNOKSA-N 1 1 418.722 4.036 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(C#N)cc1F ZINC000512625301 921266816 /nfs/dbraw/zinc/26/68/16/921266816.db2.gz NBDPEZSYZVPIQM-INIZCTEOSA-N 1 1 403.461 4.265 20 30 HIEDMO C[N@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403915 906882913 /nfs/dbraw/zinc/88/29/13/906882913.db2.gz NSENFXGYAIAVKW-RPBOFIJWSA-N 1 1 411.505 4.373 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593792 907075493 /nfs/dbraw/zinc/07/54/93/907075493.db2.gz JTOKKQIOJJIRNY-PGRDOPGGSA-N 1 1 421.541 4.322 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824733 921327786 /nfs/dbraw/zinc/32/77/86/921327786.db2.gz WVHSTTRYMVBLFB-IBGZPJMESA-N 1 1 402.441 4.207 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000498479445 907948313 /nfs/dbraw/zinc/94/83/13/907948313.db2.gz KUEMXRHWTNAQMM-NRFANRHFSA-N 1 1 421.589 4.465 20 30 HIEDMO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000512916951 921410631 /nfs/dbraw/zinc/41/06/31/921410631.db2.gz NBZGSWDCYFCPPN-INIZCTEOSA-N 1 1 407.823 4.235 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397246 908757601 /nfs/dbraw/zinc/75/76/01/908757601.db2.gz WSQOTQYKPIQCOD-UYAOXDASSA-N 1 1 412.331 4.042 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000499592627 908850212 /nfs/dbraw/zinc/85/02/12/908850212.db2.gz PWLMHRLZZFCAJV-RBUKOAKNSA-N 1 1 406.530 4.278 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499936621 909042730 /nfs/dbraw/zinc/04/27/30/909042730.db2.gz AZIAGYNHLRMIMH-BEFAXECRSA-N 1 1 413.459 4.409 20 30 HIEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000500735719 910048944 /nfs/dbraw/zinc/04/89/44/910048944.db2.gz YUCGRGDCOMRNIK-QHCPKHFHSA-N 1 1 406.530 4.136 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107904 921556334 /nfs/dbraw/zinc/55/63/34/921556334.db2.gz JDKRJQROSXGYLC-QZTJIDSGSA-N 1 1 424.524 4.001 20 30 HIEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501048352 910258341 /nfs/dbraw/zinc/25/83/41/910258341.db2.gz GMPVKFYSTJIWCW-KKSFZXQISA-N 1 1 409.331 4.264 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1OCC ZINC000513116165 921561544 /nfs/dbraw/zinc/56/15/44/921561544.db2.gz ADGRLPOQPNRINP-QGZVFWFLSA-N 1 1 420.351 4.446 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1OCC ZINC000513116165 921561551 /nfs/dbraw/zinc/56/15/51/921561551.db2.gz ADGRLPOQPNRINP-QGZVFWFLSA-N 1 1 420.351 4.446 20 30 HIEDMO COC(=O)C[C@@](C)([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000513157498 921590572 /nfs/dbraw/zinc/59/05/72/921590572.db2.gz CBIYIZIRUFVCAR-LJQANCHMSA-N 1 1 405.267 4.028 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501836867 910877646 /nfs/dbraw/zinc/87/76/46/910877646.db2.gz YNMSSTINLFKZDW-PZJWPPBQSA-N 1 1 401.599 4.205 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000502182426 911111057 /nfs/dbraw/zinc/11/10/57/911111057.db2.gz OTRSKXVVXZILJD-XMMPIXPASA-N 1 1 400.526 4.022 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000502193949 911135444 /nfs/dbraw/zinc/13/54/44/911135444.db2.gz YSQSPJOXORDXGU-NLFFAJNJSA-N 1 1 414.553 4.410 20 30 HIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COCc1cccs1 ZINC000502671769 911713888 /nfs/dbraw/zinc/71/38/88/911713888.db2.gz TYHRCVHPJLOQOL-INIZCTEOSA-N 1 1 414.340 4.215 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COCc1cccs1 ZINC000502671769 911713901 /nfs/dbraw/zinc/71/39/01/911713901.db2.gz TYHRCVHPJLOQOL-INIZCTEOSA-N 1 1 414.340 4.215 20 30 HIEDMO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041837 912010689 /nfs/dbraw/zinc/01/06/89/912010689.db2.gz MPLXZMPNOZGRCF-HSZRJFAPSA-N 1 1 407.468 4.377 20 30 HIEDMO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041837 912010705 /nfs/dbraw/zinc/01/07/05/912010705.db2.gz MPLXZMPNOZGRCF-HSZRJFAPSA-N 1 1 407.468 4.377 20 30 HIEDMO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317429 914912866 /nfs/dbraw/zinc/91/28/66/914912866.db2.gz YXEGXZXFUXBCEA-CLJLJLNGSA-N 1 1 400.522 4.466 20 30 HIEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000513365553 921739517 /nfs/dbraw/zinc/73/95/17/921739517.db2.gz GTMXRHCJEAUIDR-IRXDYDNUSA-N 1 1 409.505 4.223 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1OC ZINC000506468376 915064020 /nfs/dbraw/zinc/06/40/20/915064020.db2.gz XGABMGKZTPUBIV-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1OC ZINC000506468376 915064037 /nfs/dbraw/zinc/06/40/37/915064037.db2.gz XGABMGKZTPUBIV-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)c1 ZINC000506652436 915323426 /nfs/dbraw/zinc/32/34/26/915323426.db2.gz FNIXSRIJYFNSES-UHFFFAOYSA-N 1 1 423.860 4.097 20 30 HIEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417335 921784964 /nfs/dbraw/zinc/78/49/64/921784964.db2.gz VEXRVXJDARTQTG-SFHVURJKSA-N 1 1 413.905 4.092 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916917 915716790 /nfs/dbraw/zinc/71/67/90/915716790.db2.gz KHDZSNPWDMVMEE-AZUAARDMSA-N 1 1 421.507 4.353 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254929 916015096 /nfs/dbraw/zinc/01/50/96/916015096.db2.gz RHDMWPNQLLYJKW-AWEZNQCLSA-N 1 1 400.885 4.254 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccccc1SCC#N ZINC000507669047 916436889 /nfs/dbraw/zinc/43/68/89/916436889.db2.gz MLUBVLGYUHFVHM-UHFFFAOYSA-N 1 1 419.554 4.195 20 30 HIEDMO CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702267 916484393 /nfs/dbraw/zinc/48/43/93/916484393.db2.gz PMVHCOIVULKBBA-KXBFYZLASA-N 1 1 403.320 4.144 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000507806291 916595499 /nfs/dbraw/zinc/59/54/99/916595499.db2.gz ZCURPIGEASNZPT-MSOLQXFVSA-N 1 1 417.509 4.414 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000507824090 916622294 /nfs/dbraw/zinc/62/22/94/916622294.db2.gz NIEGLFLKLYXPJP-IRXDYDNUSA-N 1 1 411.933 4.321 20 30 HIEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507833435 916635630 /nfs/dbraw/zinc/63/56/30/916635630.db2.gz MDKSIFKCEGNEOS-HNNXBMFYSA-N 1 1 419.441 4.121 20 30 HIEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000508055769 916881696 /nfs/dbraw/zinc/88/16/96/916881696.db2.gz YJFMCXJTUXYYLO-HSZRJFAPSA-N 1 1 407.533 4.241 20 30 HIEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508474962 917259547 /nfs/dbraw/zinc/25/95/47/917259547.db2.gz WYOFJLXQQGDKBQ-RBBKRZOGSA-N 1 1 403.530 4.215 20 30 HIEDMO COCC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000508530583 917312154 /nfs/dbraw/zinc/31/21/54/917312154.db2.gz XUKJUGVADWITGV-UHFFFAOYSA-N 1 1 423.520 4.455 20 30 HIEDMO CC[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508605129 917375200 /nfs/dbraw/zinc/37/52/00/917375200.db2.gz PVSRSNZTMZKKJR-LJQANCHMSA-N 1 1 421.541 4.151 20 30 HIEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672717 917438359 /nfs/dbraw/zinc/43/83/59/917438359.db2.gz AXRNKGHJLPNFCK-OAQYLSRUSA-N 1 1 400.526 4.325 20 30 HIEDMO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508849591 917602886 /nfs/dbraw/zinc/60/28/86/917602886.db2.gz RALVQNIPVQXGQV-MRXNPFEDSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508884732 917638233 /nfs/dbraw/zinc/63/82/33/917638233.db2.gz JEFOICTZIIOZTD-RBBKRZOGSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000508944551 917701728 /nfs/dbraw/zinc/70/17/28/917701728.db2.gz FRBHYIHFIFUFIR-QFIPXVFZSA-N 1 1 407.949 4.338 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509014528 917766772 /nfs/dbraw/zinc/76/67/72/917766772.db2.gz XOKXDXHWPQOUJF-IRFCIJBXSA-N 1 1 401.599 4.043 20 30 HIEDMO COc1sc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Br ZINC000509152358 917873183 /nfs/dbraw/zinc/87/31/83/917873183.db2.gz LBIHHMCHQOIBIW-UHFFFAOYSA-N 1 1 406.349 4.103 20 30 HIEDMO COc1sc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1Br ZINC000509152358 917873186 /nfs/dbraw/zinc/87/31/86/917873186.db2.gz LBIHHMCHQOIBIW-UHFFFAOYSA-N 1 1 406.349 4.103 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000509373382 918038938 /nfs/dbraw/zinc/03/89/38/918038938.db2.gz PSXBZPDYRCFDDD-OAHLLOKOSA-N 1 1 422.323 4.094 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000509373382 918038953 /nfs/dbraw/zinc/03/89/53/918038953.db2.gz PSXBZPDYRCFDDD-OAHLLOKOSA-N 1 1 422.323 4.094 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509600178 918250039 /nfs/dbraw/zinc/25/00/39/918250039.db2.gz LALXPOCUZHTOET-OXJNMPFZSA-N 1 1 405.468 4.220 20 30 HIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510060200 918630493 /nfs/dbraw/zinc/63/04/93/918630493.db2.gz IDZVMYUUWLTGRF-UHFFFAOYSA-N 1 1 407.562 4.287 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510396859 918872908 /nfs/dbraw/zinc/87/29/08/918872908.db2.gz MQOANLNHEIVANM-MJGOQNOKSA-N 1 1 419.554 4.316 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510396859 918872913 /nfs/dbraw/zinc/87/29/13/918872913.db2.gz MQOANLNHEIVANM-MJGOQNOKSA-N 1 1 419.554 4.316 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1OC ZINC000510467874 918924578 /nfs/dbraw/zinc/92/45/78/918924578.db2.gz TYPGTFCIULPXAO-UHFFFAOYSA-N 1 1 400.544 4.060 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1OC ZINC000510467874 918924583 /nfs/dbraw/zinc/92/45/83/918924583.db2.gz TYPGTFCIULPXAO-UHFFFAOYSA-N 1 1 400.544 4.060 20 30 HIEDMO N#Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000510819079 919296848 /nfs/dbraw/zinc/29/68/48/919296848.db2.gz ARQRFVPBCLESRU-LOSJGSFVSA-N 1 1 410.521 4.026 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000510874472 919367349 /nfs/dbraw/zinc/36/73/49/919367349.db2.gz LECRCWIUWDASTC-UHFFFAOYSA-N 1 1 404.576 4.205 20 30 HIEDMO CC1(c2nc3ccccc3s2)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000511072329 919672608 /nfs/dbraw/zinc/67/26/08/919672608.db2.gz FCWQTUSNAJASLW-QGZVFWFLSA-N 1 1 422.579 4.388 20 30 HIEDMO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCCn1cc[nH+]c1C ZINC000511094776 919699072 /nfs/dbraw/zinc/69/90/72/919699072.db2.gz UOTQPAHYQGJHDE-UHFFFAOYSA-N 1 1 403.939 4.384 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1C#N ZINC000511131346 919746145 /nfs/dbraw/zinc/74/61/45/919746145.db2.gz MOMFCVFFOZRWSL-LJQANCHMSA-N 1 1 422.577 4.033 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1C#N ZINC000511131346 919746154 /nfs/dbraw/zinc/74/61/54/919746154.db2.gz MOMFCVFFOZRWSL-LJQANCHMSA-N 1 1 422.577 4.033 20 30 HIEDMO C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000511266708 919864374 /nfs/dbraw/zinc/86/43/74/919864374.db2.gz GGGHTTHQMHTZKS-SFHVURJKSA-N 1 1 404.514 4.104 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511271836 919868605 /nfs/dbraw/zinc/86/86/05/919868605.db2.gz XGSPPENFJIBRJQ-CABCVRRESA-N 1 1 424.467 4.274 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000511322689 919914793 /nfs/dbraw/zinc/91/47/93/919914793.db2.gz RYGXNBSLMMBARL-NHCUHLMSSA-N 1 1 404.514 4.080 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000511400775 920014066 /nfs/dbraw/zinc/01/40/66/920014066.db2.gz WOZXYEDBUBPNEY-IBGZPJMESA-N 1 1 420.557 4.156 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000511438518 920048240 /nfs/dbraw/zinc/04/82/40/920048240.db2.gz MEHNGKPLKPEPNV-DHIUTWEWSA-N 1 1 404.514 4.080 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000511519740 920138508 /nfs/dbraw/zinc/13/85/08/920138508.db2.gz AMHHDYVJHHZSDI-BJKOFHAPSA-N 1 1 402.542 4.112 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511680683 920344930 /nfs/dbraw/zinc/34/49/30/920344930.db2.gz JIKQOBNZWRKUCA-SJBKTWHCSA-N 1 1 408.567 4.408 20 30 HIEDMO N#Cc1cc(F)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(F)c1 ZINC000511756787 920436385 /nfs/dbraw/zinc/43/63/85/920436385.db2.gz SOYQIRFHGFXNET-NZQKXSOJSA-N 1 1 417.459 4.234 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000511767353 920453626 /nfs/dbraw/zinc/45/36/26/920453626.db2.gz DBHMXKMZRIZULE-JOCHJYFZSA-N 1 1 407.583 4.208 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1C ZINC000511797255 920491268 /nfs/dbraw/zinc/49/12/68/920491268.db2.gz NDCRDMLUFNZOAU-CUYJMHBOSA-N 1 1 417.553 4.055 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511840665 920553088 /nfs/dbraw/zinc/55/30/88/920553088.db2.gz AGHOOKHUYPFMEG-LJQANCHMSA-N 1 1 404.432 4.275 20 30 HIEDMO 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C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000521123462 929009329 /nfs/dbraw/zinc/00/93/29/929009329.db2.gz YARVAFOABDUTBN-HXUWFJFHSA-N 1 1 416.909 4.249 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000521701093 929375432 /nfs/dbraw/zinc/37/54/32/929375432.db2.gz WWXOGOLGUNUDSP-JOCHJYFZSA-N 1 1 422.529 4.129 20 30 HIEDMO COc1cccc(C2(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC000521750979 929411279 /nfs/dbraw/zinc/41/12/79/929411279.db2.gz OJGAEPBOUIKSDJ-UHFFFAOYSA-N 1 1 417.553 4.113 20 30 HIEDMO COc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC000521750979 929411306 /nfs/dbraw/zinc/41/13/06/929411306.db2.gz OJGAEPBOUIKSDJ-UHFFFAOYSA-N 1 1 417.553 4.113 20 30 HIEDMO C[N@@H+](CCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000524492743 929640437 /nfs/dbraw/zinc/64/04/37/929640437.db2.gz HNVHXDUDFIPCST-UHFFFAOYSA-N 1 1 413.521 4.389 20 30 HIEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCC3(c4ccccc4)CCCC3)CC2)c1 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ABXWYEFCLJOWHX-QUCCMNQESA-N 1 1 417.431 4.178 20 30 HIEDMO N#Cc1cccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000530675191 930795788 /nfs/dbraw/zinc/79/57/88/930795788.db2.gz QKWKRKWPXDKUGX-UHFFFAOYSA-N 1 1 402.325 4.188 20 30 HIEDMO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000531587806 931111282 /nfs/dbraw/zinc/11/12/82/931111282.db2.gz DUNWKRGMXMNYMX-IBGZPJMESA-N 1 1 404.514 4.011 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000531673682 931146116 /nfs/dbraw/zinc/14/61/16/931146116.db2.gz RKVJLZJKTXEQSJ-VXKWHMMOSA-N 1 1 420.513 4.115 20 30 HIEDMO C=C1CC[NH+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000532960042 931714308 /nfs/dbraw/zinc/71/43/08/931714308.db2.gz PXPHQHVHJOWGGW-JOCHJYFZSA-N 1 1 403.526 4.077 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959620 931714329 /nfs/dbraw/zinc/71/43/29/931714329.db2.gz STQNZOVGEHEWIU-GHTZIAJQSA-N 1 1 420.431 4.033 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970309 931720479 /nfs/dbraw/zinc/72/04/79/931720479.db2.gz GRIDPWUTTIWQDK-XWOARTFESA-N 1 1 415.603 4.402 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000532988275 931727834 /nfs/dbraw/zinc/72/78/34/931727834.db2.gz SPGIJNILFJURLD-UTKZUKDTSA-N 1 1 413.610 4.225 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533250749 931818967 /nfs/dbraw/zinc/81/89/67/931818967.db2.gz NBIDYQHDCWYFIJ-UHFFFAOYSA-N 1 1 413.525 4.470 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533250749 931818968 /nfs/dbraw/zinc/81/89/68/931818968.db2.gz NBIDYQHDCWYFIJ-UHFFFAOYSA-N 1 1 413.525 4.470 20 30 HIEDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000533250655 931819282 /nfs/dbraw/zinc/81/92/82/931819282.db2.gz FUGGBQYWCOTDIG-QFIPXVFZSA-N 1 1 421.541 4.150 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1C#N ZINC000533292844 931830634 /nfs/dbraw/zinc/83/06/34/931830634.db2.gz XXXPHPMXPQZVFZ-OAQYLSRUSA-N 1 1 416.525 4.121 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000533364933 931848866 /nfs/dbraw/zinc/84/88/66/931848866.db2.gz NJRHYYIPRKSWKZ-QGZVFWFLSA-N 1 1 421.888 4.080 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000533364933 931848869 /nfs/dbraw/zinc/84/88/69/931848869.db2.gz NJRHYYIPRKSWKZ-QGZVFWFLSA-N 1 1 421.888 4.080 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375257 931852624 /nfs/dbraw/zinc/85/26/24/931852624.db2.gz LCKPTBWRCQKBCS-KSZLIROESA-N 1 1 414.619 4.164 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382300 931854178 /nfs/dbraw/zinc/85/41/78/931854178.db2.gz IHVUYLNRTRIULS-CQSZACIVSA-N 1 1 419.554 4.191 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000533422541 931863220 /nfs/dbraw/zinc/86/32/20/931863220.db2.gz PRRNJMPDGFISBM-UHFFFAOYSA-N 1 1 424.548 4.300 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000533422541 931863222 /nfs/dbraw/zinc/86/32/22/931863222.db2.gz PRRNJMPDGFISBM-UHFFFAOYSA-N 1 1 424.548 4.300 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491118 931883924 /nfs/dbraw/zinc/88/39/24/931883924.db2.gz KYWDIFINFPMXRU-AEFFLSMTSA-N 1 1 412.555 4.466 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491118 931883927 /nfs/dbraw/zinc/88/39/27/931883927.db2.gz KYWDIFINFPMXRU-AEFFLSMTSA-N 1 1 412.555 4.466 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1)c1ccccc1 ZINC000533606558 931919437 /nfs/dbraw/zinc/91/94/37/931919437.db2.gz DJOQXUKMGZSZTO-LJQANCHMSA-N 1 1 411.933 4.378 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1)c1ccccc1 ZINC000533606558 931919442 /nfs/dbraw/zinc/91/94/42/931919442.db2.gz DJOQXUKMGZSZTO-LJQANCHMSA-N 1 1 411.933 4.378 20 30 HIEDMO N#Cc1c(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cn2ccccc12 ZINC000533607411 931921524 /nfs/dbraw/zinc/92/15/24/931921524.db2.gz HEPLZCHMQPPCQN-UHFFFAOYSA-N 1 1 408.889 4.021 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018861 932201261 /nfs/dbraw/zinc/20/12/61/932201261.db2.gz IXKWDXZKXJEJDX-DQEYMECFSA-N 1 1 411.505 4.312 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754270 932731748 /nfs/dbraw/zinc/73/17/48/932731748.db2.gz DJKDIOGVYFPIGO-RPBOFIJWSA-N 1 1 411.505 4.312 20 30 HIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000535206488 933014112 /nfs/dbraw/zinc/01/41/12/933014112.db2.gz NKMKJYDSTUSYCA-GOSISDBHSA-N 1 1 419.554 4.064 20 30 HIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000535206504 933014347 /nfs/dbraw/zinc/01/43/47/933014347.db2.gz NKMKJYDSTUSYCA-SFHVURJKSA-N 1 1 419.554 4.064 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535212687 933018449 /nfs/dbraw/zinc/01/84/49/933018449.db2.gz RTLOGKRWDQRNBO-LJQANCHMSA-N 1 1 409.530 4.250 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535212687 933018457 /nfs/dbraw/zinc/01/84/57/933018457.db2.gz RTLOGKRWDQRNBO-LJQANCHMSA-N 1 1 409.530 4.250 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000535655696 933297755 /nfs/dbraw/zinc/29/77/55/933297755.db2.gz QAKGVQOGCZNHBD-UHFFFAOYSA-N 1 1 422.529 4.173 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675136 933323030 /nfs/dbraw/zinc/32/30/30/933323030.db2.gz GRLKTMGPHINKOD-BFUOFWGJSA-N 1 1 404.848 4.304 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681586 933334585 /nfs/dbraw/zinc/33/45/85/933334585.db2.gz RIULHKASNNYJSN-UHFFFAOYSA-N 1 1 418.541 4.477 20 30 HIEDMO Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)nn1CCC#N ZINC000537516328 938314833 /nfs/dbraw/zinc/31/48/33/938314833.db2.gz MCMTVDLNJCHHSQ-UHFFFAOYSA-N 1 1 420.561 4.158 20 30 HIEDMO C=CC[N@H+](Cc1cc(OC)ccc1OC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629399 938340369 /nfs/dbraw/zinc/34/03/69/938340369.db2.gz FMZNGFFGGQSERN-HNNXBMFYSA-N 1 1 415.444 4.022 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000537683972 938353746 /nfs/dbraw/zinc/35/37/46/938353746.db2.gz PEDQJRYCMWTTKJ-QFIPXVFZSA-N 1 1 401.514 4.382 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000537683972 938353750 /nfs/dbraw/zinc/35/37/50/938353750.db2.gz PEDQJRYCMWTTKJ-QFIPXVFZSA-N 1 1 401.514 4.382 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)cc1 ZINC000537711235 938361602 /nfs/dbraw/zinc/36/16/02/938361602.db2.gz XEYKTGAXSOBQMZ-GOSISDBHSA-N 1 1 401.576 4.123 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c2c1C ZINC000537864593 938393845 /nfs/dbraw/zinc/39/38/45/938393845.db2.gz PVBISBHFXYTQBQ-UHFFFAOYSA-N 1 1 423.542 4.041 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c2c1C ZINC000537864593 938393848 /nfs/dbraw/zinc/39/38/48/938393848.db2.gz PVBISBHFXYTQBQ-UHFFFAOYSA-N 1 1 423.542 4.041 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)c1C#N ZINC000538124799 938510888 /nfs/dbraw/zinc/51/08/88/938510888.db2.gz OYXMJQQVYYBKGR-KRWDZBQOSA-N 1 1 401.466 4.170 20 30 HIEDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3C#N)sc2C1 ZINC000538697423 938686132 /nfs/dbraw/zinc/68/61/32/938686132.db2.gz OSVPUJGVHZVDGS-UHFFFAOYSA-N 1 1 404.495 4.437 20 30 HIEDMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3C#N)sc2C1 ZINC000538697423 938686134 /nfs/dbraw/zinc/68/61/34/938686134.db2.gz OSVPUJGVHZVDGS-UHFFFAOYSA-N 1 1 404.495 4.437 20 30 HIEDMO Cc1cc([C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)ccc1F ZINC000538717238 938688788 /nfs/dbraw/zinc/68/87/88/938688788.db2.gz MGJGRHBIZRUHKE-HSZRJFAPSA-N 1 1 404.489 4.485 20 30 HIEDMO Cc1cc([C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)ccc1F ZINC000538717238 938688791 /nfs/dbraw/zinc/68/87/91/938688791.db2.gz MGJGRHBIZRUHKE-HSZRJFAPSA-N 1 1 404.489 4.485 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688901 /nfs/dbraw/zinc/68/89/01/938688901.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000538717013 938688902 /nfs/dbraw/zinc/68/89/02/938688902.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000538717013 938688903 /nfs/dbraw/zinc/68/89/03/938688903.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 1 1 411.384 4.327 20 30 HIEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753050 938702618 /nfs/dbraw/zinc/70/26/18/938702618.db2.gz ILGAEMNHCUKGGP-HXUWFJFHSA-N 1 1 409.530 4.463 20 30 HIEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000539096469 938802168 /nfs/dbraw/zinc/80/21/68/938802168.db2.gz HOGWWDIRWOTCTF-LJQANCHMSA-N 1 1 416.566 4.176 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000539287177 938833823 /nfs/dbraw/zinc/83/38/23/938833823.db2.gz MTLGJSOZZLNKMS-HUUCEWRRSA-N 1 1 406.523 4.158 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000540309943 939189899 /nfs/dbraw/zinc/18/98/99/939189899.db2.gz YPTVWDVRNBQXFH-RCZVLFRGSA-N 1 1 414.553 4.384 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccccc1 ZINC000540359330 939208378 /nfs/dbraw/zinc/20/83/78/939208378.db2.gz IEUSGRBRIJWHRU-QFIPXVFZSA-N 1 1 420.488 4.021 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540668496 939334964 /nfs/dbraw/zinc/33/49/64/939334964.db2.gz UUYKSVJRMPSURI-FQEVSTJZSA-N 1 1 401.432 4.200 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1=O ZINC000540809864 939379540 /nfs/dbraw/zinc/37/95/40/939379540.db2.gz UVKHHLZAZOCBGH-OALUTQOASA-N 1 1 403.295 4.054 20 30 HIEDMO N#CCC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC000541025170 939433317 /nfs/dbraw/zinc/43/33/17/939433317.db2.gz UJSHKHSQRCHIHI-HXUWFJFHSA-N 1 1 410.905 4.236 20 30 HIEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541106417 939462264 /nfs/dbraw/zinc/46/22/64/939462264.db2.gz FBBOITIQAPLJNR-MSOLQXFVSA-N 1 1 401.514 4.427 20 30 HIEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541106418 939462536 /nfs/dbraw/zinc/46/25/36/939462536.db2.gz FBBOITIQAPLJNR-QZTJIDSGSA-N 1 1 401.514 4.427 20 30 HIEDMO N#CCCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000541321733 939490843 /nfs/dbraw/zinc/49/08/43/939490843.db2.gz ZPGAAWMMNAQHSF-UHFFFAOYSA-N 1 1 402.951 4.199 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c1C#N ZINC000541393095 939503929 /nfs/dbraw/zinc/50/39/29/939503929.db2.gz MJZYVKMFTVOYLY-NRFANRHFSA-N 1 1 416.525 4.354 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c1C#N ZINC000541393095 939503934 /nfs/dbraw/zinc/50/39/34/939503934.db2.gz MJZYVKMFTVOYLY-NRFANRHFSA-N 1 1 416.525 4.354 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccc(C)o1 ZINC000541649871 939587010 /nfs/dbraw/zinc/58/70/10/939587010.db2.gz BKKKUTUUFPWBGG-HXUWFJFHSA-N 1 1 412.534 4.299 20 30 HIEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000542309309 939794569 /nfs/dbraw/zinc/79/45/69/939794569.db2.gz NCSXAXNHKZUWGT-CQSZACIVSA-N 1 1 402.589 4.409 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000543180045 939987981 /nfs/dbraw/zinc/98/79/81/939987981.db2.gz FRXVQLGGHNWVGF-UHFFFAOYSA-N 1 1 417.340 4.329 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543885583 940225521 /nfs/dbraw/zinc/22/55/21/940225521.db2.gz AVMLZZZAHIUROU-MRXNPFEDSA-N 1 1 414.941 4.031 20 30 HIEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025332 940303001 /nfs/dbraw/zinc/30/30/01/940303001.db2.gz KKSKGZQYMAASJT-UFBFGSQYSA-N 1 1 422.291 4.396 20 30 HIEDMO N#CCc1ccc(C[NH+]2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000544066987 940316414 /nfs/dbraw/zinc/31/64/14/940316414.db2.gz JJORDVGHLZTKAQ-UHFFFAOYSA-N 1 1 406.530 4.333 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000563933262 945329128 /nfs/dbraw/zinc/32/91/28/945329128.db2.gz OFQHXELYPFLLCI-QGZVFWFLSA-N 1 1 401.576 4.158 20 30 HIEDMO N#Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000563987270 945336558 /nfs/dbraw/zinc/33/65/58/945336558.db2.gz YNGFVMSPASSONZ-XMMPIXPASA-N 1 1 413.481 4.117 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546708199 940871517 /nfs/dbraw/zinc/87/15/17/940871517.db2.gz XIDXIRRHCLIZTI-MGPUTAFESA-N 1 1 416.884 4.174 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483242 941107693 /nfs/dbraw/zinc/10/76/93/941107693.db2.gz JAPGHKCOXZJLGT-WWPVKYPJSA-N 1 1 406.549 4.166 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548850334 941126527 /nfs/dbraw/zinc/12/65/27/941126527.db2.gz RLZFMEZXTDFAMU-UHFFFAOYSA-N 1 1 411.594 4.217 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931914 941130681 /nfs/dbraw/zinc/13/06/81/941130681.db2.gz HUIUVPHDEMMWQI-OAQYLSRUSA-N 1 1 410.949 4.040 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549215356 941171568 /nfs/dbraw/zinc/17/15/68/941171568.db2.gz WIIHBFAHPAYKQF-UHFFFAOYSA-N 1 1 418.570 4.085 20 30 HIEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549273184 941175979 /nfs/dbraw/zinc/17/59/79/941175979.db2.gz VLTFWQMGNGWHTI-DENIHFKCSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549287185 941177100 /nfs/dbraw/zinc/17/71/00/941177100.db2.gz HNOPBGVIQNUDHE-NZQKXSOJSA-N 1 1 421.589 4.195 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549332000 941180722 /nfs/dbraw/zinc/18/07/22/941180722.db2.gz UTOVCKGXOSIOGF-UHFFFAOYSA-N 1 1 411.594 4.298 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000549634702 941202292 /nfs/dbraw/zinc/20/22/92/941202292.db2.gz VXCXSKUTEJITHV-ILWGZMRPSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549667745 941203679 /nfs/dbraw/zinc/20/36/79/941203679.db2.gz ZVJATKAINBFWOM-UHFFFAOYSA-N 1 1 422.360 4.024 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549685256 941204450 /nfs/dbraw/zinc/20/44/50/941204450.db2.gz HXKCGVPITVNXAM-NRFANRHFSA-N 1 1 411.594 4.218 20 30 HIEDMO CC(C)c1ccc(C[NH+]2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000549852654 941215656 /nfs/dbraw/zinc/21/56/56/941215656.db2.gz OZEYVWDICNDWGW-UHFFFAOYSA-N 1 1 401.514 4.049 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000549998341 941262021 /nfs/dbraw/zinc/26/20/21/941262021.db2.gz YYPQMNTXYZCJAZ-UHFFFAOYSA-N 1 1 415.419 4.304 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000549998341 941262022 /nfs/dbraw/zinc/26/20/22/941262022.db2.gz YYPQMNTXYZCJAZ-UHFFFAOYSA-N 1 1 415.419 4.304 20 30 HIEDMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412538 941472930 /nfs/dbraw/zinc/47/29/30/941472930.db2.gz YEXIZCALKJDOEU-QMMMGPOBSA-N 1 1 410.280 4.223 20 30 HIEDMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412538 941472934 /nfs/dbraw/zinc/47/29/34/941472934.db2.gz YEXIZCALKJDOEU-QMMMGPOBSA-N 1 1 410.280 4.223 20 30 HIEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895131 941799720 /nfs/dbraw/zinc/79/97/20/941799720.db2.gz FANYNEMLIRHCGL-GOSISDBHSA-N 1 1 416.997 4.055 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553079342 941829802 /nfs/dbraw/zinc/82/98/02/941829802.db2.gz KUGXCDIMQUKGPY-IBGZPJMESA-N 1 1 411.546 4.183 20 30 HIEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208045 941849464 /nfs/dbraw/zinc/84/94/64/941849464.db2.gz MZUIFDIZVZJQAQ-ZWKOTPCHSA-N 1 1 416.997 4.055 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@H]([NH2+]Cc3ccccc3)c3ccco3)on2)c1 ZINC000553213648 941850377 /nfs/dbraw/zinc/85/03/77/941850377.db2.gz JTFODXIPVWRTLJ-NRFANRHFSA-N 1 1 412.449 4.067 20 30 HIEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769594 941963350 /nfs/dbraw/zinc/96/33/50/941963350.db2.gz IOLPQJFJDQUKHJ-PNLZDCPESA-N 1 1 407.489 4.292 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1OC ZINC000554877821 942304581 /nfs/dbraw/zinc/30/45/81/942304581.db2.gz SGNJMCRTKPUFPE-LBPRGKRZSA-N 1 1 406.267 4.084 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1OC ZINC000554877821 942304586 /nfs/dbraw/zinc/30/45/86/942304586.db2.gz SGNJMCRTKPUFPE-LBPRGKRZSA-N 1 1 406.267 4.084 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987575 942344393 /nfs/dbraw/zinc/34/43/93/942344393.db2.gz FNCZNQBFJGRHCO-RPWUZVMVSA-N 1 1 402.519 4.328 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000555441314 942543272 /nfs/dbraw/zinc/54/32/72/942543272.db2.gz QPKGBSMRBLPNRL-IBGZPJMESA-N 1 1 420.586 4.095 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)C2=O)cc1 ZINC000556093870 942804784 /nfs/dbraw/zinc/80/47/84/942804784.db2.gz PDNHJXPGVXBXCV-RTBURBONSA-N 1 1 405.395 4.476 20 30 HIEDMO C=CCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1nc2c(s1)CCCC2 ZINC000556450067 942870733 /nfs/dbraw/zinc/87/07/33/942870733.db2.gz GIKWMQKIDZKNLK-ZIAGYGMSSA-N 1 1 415.525 4.450 20 30 HIEDMO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920519 942966532 /nfs/dbraw/zinc/96/65/32/942966532.db2.gz MUQPDHGYUOMLJT-QPPBQGQZSA-N 1 1 419.544 4.488 20 30 HIEDMO COC(=O)c1sc2ccccc2c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000559056175 943817431 /nfs/dbraw/zinc/81/74/31/943817431.db2.gz MVMKHPYSRUDWTR-UHFFFAOYSA-N 1 1 405.523 4.272 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1ccnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000559068400 943823249 /nfs/dbraw/zinc/82/32/49/943823249.db2.gz ROJNFXYSFRJKML-LJQANCHMSA-N 1 1 413.529 4.120 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000560134656 944173755 /nfs/dbraw/zinc/17/37/55/944173755.db2.gz ORJAWLYIVHZMTB-IBGZPJMESA-N 1 1 423.866 4.496 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000560134656 944173757 /nfs/dbraw/zinc/17/37/57/944173757.db2.gz ORJAWLYIVHZMTB-IBGZPJMESA-N 1 1 423.866 4.496 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)c(C#N)c1C ZINC000560185771 944190808 /nfs/dbraw/zinc/19/08/08/944190808.db2.gz VITFRMGKNRYHEJ-UHFFFAOYSA-N 1 1 405.523 4.438 20 30 HIEDMO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000560601549 944270409 /nfs/dbraw/zinc/27/04/09/944270409.db2.gz RUSOHNKYFQYOIR-LJQANCHMSA-N 1 1 419.916 4.416 20 30 HIEDMO C=CC[C@@H]1N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000560674515 944290699 /nfs/dbraw/zinc/29/06/99/944290699.db2.gz GWASSIDIIIDSDL-SGNDLWITSA-N 1 1 420.601 4.229 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045226 944908473 /nfs/dbraw/zinc/90/84/73/944908473.db2.gz AWKZWCDLEIJGMR-QUCCMNQESA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045226 944908478 /nfs/dbraw/zinc/90/84/78/944908478.db2.gz AWKZWCDLEIJGMR-QUCCMNQESA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045225 944908647 /nfs/dbraw/zinc/90/86/47/944908647.db2.gz AWKZWCDLEIJGMR-ICSRJNTNSA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000562045225 944908653 /nfs/dbraw/zinc/90/86/53/944908653.db2.gz AWKZWCDLEIJGMR-ICSRJNTNSA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564124784 945389959 /nfs/dbraw/zinc/38/99/59/945389959.db2.gz RJJKYHRYNBOZCV-HNNXBMFYSA-N 1 1 405.420 4.053 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564124784 945389970 /nfs/dbraw/zinc/38/99/70/945389970.db2.gz RJJKYHRYNBOZCV-HNNXBMFYSA-N 1 1 405.420 4.053 20 30 HIEDMO C[C@H](c1cccc(NCc2ccc(Br)cc2C#N)c1)[NH+]1CCOCC1 ZINC000564199994 945432118 /nfs/dbraw/zinc/43/21/18/945432118.db2.gz BROADXICWFBZAX-OAHLLOKOSA-N 1 1 400.320 4.326 20 30 HIEDMO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000564416080 945568864 /nfs/dbraw/zinc/56/88/64/945568864.db2.gz XFLWSTNJXZWRTP-IRXDYDNUSA-N 1 1 417.475 4.476 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000565528078 945845164 /nfs/dbraw/zinc/84/51/64/945845164.db2.gz PORLKTZACHMUNI-FQEVSTJZSA-N 1 1 403.551 4.376 20 30 HIEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000566366315 946009808 /nfs/dbraw/zinc/00/98/08/946009808.db2.gz WSAABINPOMEWKI-KRWDZBQOSA-N 1 1 404.986 4.055 20 30 HIEDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568430642 946541378 /nfs/dbraw/zinc/54/13/78/946541378.db2.gz ZAIZEKKZMMXYOC-HXUWFJFHSA-N 1 1 416.997 4.151 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000570220993 947148949 /nfs/dbraw/zinc/14/89/49/947148949.db2.gz YQMIAQNWCICLBG-AZUAARDMSA-N 1 1 407.533 4.392 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000570546599 947285762 /nfs/dbraw/zinc/28/57/62/947285762.db2.gz QYCPQKDFPLRPHD-HNNXBMFYSA-N 1 1 420.340 4.191 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000570546599 947285769 /nfs/dbraw/zinc/28/57/69/947285769.db2.gz QYCPQKDFPLRPHD-HNNXBMFYSA-N 1 1 420.340 4.191 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1C#N ZINC000572736137 947994165 /nfs/dbraw/zinc/99/41/65/947994165.db2.gz WBPZCBOTWKKGAQ-LEWJYISDSA-N 1 1 408.546 4.457 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410978 948197828 /nfs/dbraw/zinc/19/78/28/948197828.db2.gz POOJVTUFLRZBTH-HXOBKFHXSA-N 1 1 417.513 4.226 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617319 948251397 /nfs/dbraw/zinc/25/13/97/948251397.db2.gz YHPDEPSYFMVJPP-OAHLLOKOSA-N 1 1 412.419 4.302 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955016 948801063 /nfs/dbraw/zinc/80/10/63/948801063.db2.gz QXWWSHIVPQFDAT-URXFXBBRSA-N 1 1 416.481 4.113 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627787 719079374 /nfs/dbraw/zinc/07/93/74/719079374.db2.gz QRDBBRAFOLNEFY-VQIMIIECSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628525 719080482 /nfs/dbraw/zinc/08/04/82/719080482.db2.gz SGSKYSGJJFCYMS-APWZRJJASA-N 1 1 402.876 4.252 20 30 HIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810233 720207729 /nfs/dbraw/zinc/20/77/29/720207729.db2.gz AOYPYYWJFDZBTD-MHECFPHRSA-N 1 1 424.976 4.253 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722105 720336098 /nfs/dbraw/zinc/33/60/98/720336098.db2.gz FBBOCRZIRDAVQN-CVEARBPZSA-N 1 1 424.282 4.053 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722105 720336107 /nfs/dbraw/zinc/33/61/07/720336107.db2.gz FBBOCRZIRDAVQN-CVEARBPZSA-N 1 1 424.282 4.053 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@H]2C ZINC001164858050 721021118 /nfs/dbraw/zinc/02/11/18/721021118.db2.gz FNHVJDQLBMJXQK-KRWDZBQOSA-N 1 1 406.578 4.185 20 30 HIEDMO N#CC1(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908547 721704050 /nfs/dbraw/zinc/70/40/50/721704050.db2.gz XVQJXBNIIWWJKF-HSZRJFAPSA-N 1 1 423.511 4.160 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164911619 721765397 /nfs/dbraw/zinc/76/53/97/721765397.db2.gz PURPSFVUIDZSLD-UHFFFAOYSA-N 1 1 413.525 4.015 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164911619 721765399 /nfs/dbraw/zinc/76/53/99/721765399.db2.gz PURPSFVUIDZSLD-UHFFFAOYSA-N 1 1 413.525 4.015 20 30 HIEDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(C)c1Cl ZINC001165028085 721801730 /nfs/dbraw/zinc/80/17/30/721801730.db2.gz YFWSTWCALQREMD-DZFGPLHGSA-N 1 1 409.965 4.355 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]21 ZINC001165022751 721812417 /nfs/dbraw/zinc/81/24/17/721812417.db2.gz HBPODZFIINVTID-POZUXBRTSA-N 1 1 416.356 4.392 20 30 HIEDMO N#Cc1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c2cc(-c3ccccc3)sc21 ZINC001164967631 722072578 /nfs/dbraw/zinc/07/25/78/722072578.db2.gz SIDISCCEKSBGFX-BGYRXZFFSA-N 1 1 416.550 4.134 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026214639 847103804 /nfs/dbraw/zinc/10/38/04/847103804.db2.gz VLYBPIMEGQQBTA-GFCCVEGCSA-N 1 1 418.360 4.330 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026214639 847103810 /nfs/dbraw/zinc/10/38/10/847103810.db2.gz VLYBPIMEGQQBTA-GFCCVEGCSA-N 1 1 418.360 4.330 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027571944 847321427 /nfs/dbraw/zinc/32/14/27/847321427.db2.gz OMZRVHVGKMSTQW-SFHVURJKSA-N 1 1 409.555 4.254 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027571944 847321438 /nfs/dbraw/zinc/32/14/38/847321438.db2.gz OMZRVHVGKMSTQW-SFHVURJKSA-N 1 1 409.555 4.254 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831284 847628631 /nfs/dbraw/zinc/62/86/31/847628631.db2.gz BLRNJDDAJLSASG-ZWKOTPCHSA-N 1 1 420.488 4.482 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000029985117 847663904 /nfs/dbraw/zinc/66/39/04/847663904.db2.gz AHUIYDUIPMJZHU-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000029985117 847663906 /nfs/dbraw/zinc/66/39/06/847663906.db2.gz AHUIYDUIPMJZHU-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000029984974 847664101 /nfs/dbraw/zinc/66/41/01/847664101.db2.gz JAPCBVPPJVUPTK-UHFFFAOYSA-N 1 1 410.521 4.332 20 30 HIEDMO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983844 847664549 /nfs/dbraw/zinc/66/45/49/847664549.db2.gz KUPQZJKRHYNNJP-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983844 847664555 /nfs/dbraw/zinc/66/45/55/847664555.db2.gz KUPQZJKRHYNNJP-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1C ZINC000051212797 849443606 /nfs/dbraw/zinc/44/36/06/849443606.db2.gz AQCRJFXYSZLALO-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1C ZINC000051212797 849443613 /nfs/dbraw/zinc/44/36/13/849443613.db2.gz AQCRJFXYSZLALO-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCCc2ccccc2)c1C#N ZINC000052802620 849629075 /nfs/dbraw/zinc/62/90/75/849629075.db2.gz SYPXWXGBWACIOV-UHFFFAOYSA-N 1 1 404.514 4.121 20 30 HIEDMO COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000054537768 849885905 /nfs/dbraw/zinc/88/59/05/849885905.db2.gz FHEJNPMBFUTGJG-UHFFFAOYSA-N 1 1 407.514 4.349 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000056213651 850286295 /nfs/dbraw/zinc/28/62/95/850286295.db2.gz CWZAIUSNTRBSDT-QZTJIDSGSA-N 1 1 407.514 4.207 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000059994458 851029577 /nfs/dbraw/zinc/02/95/77/851029577.db2.gz FCXXJNSMUMNVNB-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000059994458 851029587 /nfs/dbraw/zinc/02/95/87/851029587.db2.gz FCXXJNSMUMNVNB-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063403743 851680185 /nfs/dbraw/zinc/68/01/85/851680185.db2.gz QLSJAALNOQQTNW-UHFFFAOYSA-N 1 1 403.461 4.089 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064706476 851962300 /nfs/dbraw/zinc/96/23/00/851962300.db2.gz YSHFNWGRLAWPSQ-GOSISDBHSA-N 1 1 412.559 4.441 20 30 HIEDMO C=C(C)C[N@H+](CC)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954696 852562020 /nfs/dbraw/zinc/56/20/20/852562020.db2.gz PLPPKEWSVCRIOQ-QFIPXVFZSA-N 1 1 405.542 4.323 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC(F)F ZINC000097221292 852591586 /nfs/dbraw/zinc/59/15/86/852591586.db2.gz SXKSXTJWULOROM-BXFSZVDSSA-N 1 1 423.504 4.048 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC(F)F ZINC000097221292 852591589 /nfs/dbraw/zinc/59/15/89/852591589.db2.gz SXKSXTJWULOROM-BXFSZVDSSA-N 1 1 423.504 4.048 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000107606432 852781033 /nfs/dbraw/zinc/78/10/33/852781033.db2.gz VISFLNZNKYDPJE-IBGZPJMESA-N 1 1 421.589 4.037 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000107715155 852788948 /nfs/dbraw/zinc/78/89/48/852788948.db2.gz YJIXTKGQTKDUIP-LJQANCHMSA-N 1 1 407.583 4.482 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000108428401 852849679 /nfs/dbraw/zinc/84/96/79/852849679.db2.gz ONZNKUZUGKBJCC-PMACEKPBSA-N 1 1 408.542 4.133 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000109257710 852943023 /nfs/dbraw/zinc/94/30/23/852943023.db2.gz HBKOHOXFKHVYOW-LPHOPBHVSA-N 1 1 417.962 4.058 20 30 HIEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110287957 853083486 /nfs/dbraw/zinc/08/34/86/853083486.db2.gz UCBKUPFBQNNUSF-UHFFFAOYSA-N 1 1 400.526 4.328 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000111020557 853188367 /nfs/dbraw/zinc/18/83/67/853188367.db2.gz ONZLPPMMMMLUJE-BGYRXZFFSA-N 1 1 421.541 4.255 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000111020557 853188370 /nfs/dbraw/zinc/18/83/70/853188370.db2.gz ONZLPPMMMMLUJE-BGYRXZFFSA-N 1 1 421.541 4.255 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000236981475 853946649 /nfs/dbraw/zinc/94/66/49/853946649.db2.gz QHGSSDITOQFXCY-HXUWFJFHSA-N 1 1 423.580 4.168 20 30 HIEDMO COc1cc(C[NH2+]Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237107924 853965584 /nfs/dbraw/zinc/96/55/84/853965584.db2.gz FKJIQLDNZLAVJQ-UHFFFAOYSA-N 1 1 403.438 4.344 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)cn1 ZINC000301059813 854283701 /nfs/dbraw/zinc/28/37/01/854283701.db2.gz BTJCCDVIDZKXEZ-UHFFFAOYSA-N 1 1 406.396 4.209 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccccc1C[NH+]1CCOCC1 ZINC000301086825 854292504 /nfs/dbraw/zinc/29/25/04/854292504.db2.gz MDVAIEUABJBIFN-UHFFFAOYSA-N 1 1 424.451 4.152 20 30 HIEDMO CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301675302 854442614 /nfs/dbraw/zinc/44/26/14/854442614.db2.gz SASDRBRQBGLKCC-MSOLQXFVSA-N 1 1 404.436 4.064 20 30 HIEDMO CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301675302 854442617 /nfs/dbraw/zinc/44/26/17/854442617.db2.gz SASDRBRQBGLKCC-MSOLQXFVSA-N 1 1 404.436 4.064 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301907248 854489900 /nfs/dbraw/zinc/48/99/00/854489900.db2.gz QZTFFLXZRAPYSQ-QGZVFWFLSA-N 1 1 401.470 4.115 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nn4cc(C5CCCC5)nc4s3)CC2)cc1 ZINC000302421568 854570085 /nfs/dbraw/zinc/57/00/85/854570085.db2.gz JAMGHPNPQDGAAW-UHFFFAOYSA-N 1 1 406.559 4.032 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000302909551 854675383 /nfs/dbraw/zinc/67/53/83/854675383.db2.gz IPLGXFSGJINONH-UHFFFAOYSA-N 1 1 405.542 4.231 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950062 854692963 /nfs/dbraw/zinc/69/29/63/854692963.db2.gz DBGHIRPDUQCPDP-JOCHJYFZSA-N 1 1 405.542 4.266 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000303343380 854883175 /nfs/dbraw/zinc/88/31/75/854883175.db2.gz MAWQGOJNZQCWIF-SFHVURJKSA-N 1 1 408.571 4.081 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000303419179 854920756 /nfs/dbraw/zinc/92/07/56/854920756.db2.gz XTXJYACUJHRCOX-MRXNPFEDSA-N 1 1 401.507 4.027 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000303419179 854920762 /nfs/dbraw/zinc/92/07/62/854920762.db2.gz XTXJYACUJHRCOX-MRXNPFEDSA-N 1 1 401.507 4.027 20 30 HIEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303503259 854992102 /nfs/dbraw/zinc/99/21/02/854992102.db2.gz VJWJYIYCRWQGBP-CWAQXLGLSA-N 1 1 405.517 4.166 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000437351881 862632294 /nfs/dbraw/zinc/63/22/94/862632294.db2.gz KCFARIKJJKPZLO-IERDGZPVSA-N 1 1 407.963 4.477 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740039 855165117 /nfs/dbraw/zinc/16/51/17/855165117.db2.gz YUECUFZMDKJVCH-VNZMSGEBSA-N 1 1 413.583 4.342 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303834297 855232060 /nfs/dbraw/zinc/23/20/60/855232060.db2.gz LYRWAQAZJPZGMX-RTBURBONSA-N 1 1 411.908 4.189 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303834297 855232065 /nfs/dbraw/zinc/23/20/65/855232065.db2.gz LYRWAQAZJPZGMX-RTBURBONSA-N 1 1 411.908 4.189 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000303859523 855254936 /nfs/dbraw/zinc/25/49/36/855254936.db2.gz GGGVPPLSRWVFAI-JLTOFOAXSA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000303859523 855254945 /nfs/dbraw/zinc/25/49/45/855254945.db2.gz GGGVPPLSRWVFAI-JLTOFOAXSA-N 1 1 401.869 4.141 20 30 HIEDMO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303870961 855262642 /nfs/dbraw/zinc/26/26/42/855262642.db2.gz BMNVGRUHCSKNCX-OALUTQOASA-N 1 1 410.562 4.010 20 30 HIEDMO C[C@H](NC1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCOCC1)c1ccccc1 ZINC000304738728 855357428 /nfs/dbraw/zinc/35/74/28/855357428.db2.gz AXKXKQLDGCTKQV-IBGZPJMESA-N 1 1 406.574 4.192 20 30 HIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000410344637 855939361 /nfs/dbraw/zinc/93/93/61/855939361.db2.gz KWAXIIYZFQDNLZ-JOCHJYFZSA-N 1 1 410.558 4.390 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426194384 856168054 /nfs/dbraw/zinc/16/80/54/856168054.db2.gz AQEKJMAEGSATAJ-OAQYLSRUSA-N 1 1 422.525 4.309 20 30 HIEDMO C[C@@H]1C[N@H+](CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000426394650 856272977 /nfs/dbraw/zinc/27/29/77/856272977.db2.gz KAQAMASZPDYPGF-IYBDPMFKSA-N 1 1 414.500 4.100 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](COC)C3)sc2C1 ZINC000426461389 856302229 /nfs/dbraw/zinc/30/22/29/856302229.db2.gz OZAFNGAUELUJDN-JKSUJKDBSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](COC)C3)sc2C1 ZINC000426461389 856302237 /nfs/dbraw/zinc/30/22/37/856302237.db2.gz OZAFNGAUELUJDN-JKSUJKDBSA-N 1 1 403.592 4.068 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000427000308 856588298 /nfs/dbraw/zinc/58/82/98/856588298.db2.gz BSSLYJBLMOLPNK-UHFFFAOYSA-N 1 1 410.587 4.019 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000428057552 857058441 /nfs/dbraw/zinc/05/84/41/857058441.db2.gz ONCHIHOVGWNGCZ-UHFFFAOYSA-N 1 1 405.523 4.208 20 30 HIEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000428479847 857219293 /nfs/dbraw/zinc/21/92/93/857219293.db2.gz KVSUROVGFKSLHH-SNVBAGLBSA-N 1 1 422.291 4.225 20 30 HIEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000428479847 857219303 /nfs/dbraw/zinc/21/93/03/857219303.db2.gz KVSUROVGFKSLHH-SNVBAGLBSA-N 1 1 422.291 4.225 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813369 857357362 /nfs/dbraw/zinc/35/73/62/857357362.db2.gz PLHJSJITKHWXSW-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813369 857357364 /nfs/dbraw/zinc/35/73/64/857357364.db2.gz PLHJSJITKHWXSW-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856476 857373741 /nfs/dbraw/zinc/37/37/41/857373741.db2.gz LSVYUIKDSFVXET-HSZRJFAPSA-N 1 1 410.583 4.176 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C#N ZINC000429234110 857566554 /nfs/dbraw/zinc/56/65/54/857566554.db2.gz XVWPBKVRZZRRGS-UHFFFAOYSA-N 1 1 423.517 4.463 20 30 HIEDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000429378630 857632663 /nfs/dbraw/zinc/63/26/63/857632663.db2.gz ASOYZOSFPBXQQW-HXUWFJFHSA-N 1 1 419.569 4.452 20 30 HIEDMO C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+](C2CCC2)C1 ZINC000429396920 857641161 /nfs/dbraw/zinc/64/11/61/857641161.db2.gz XTWLKMMSURGLIH-KRWDZBQOSA-N 1 1 414.619 4.023 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1cccs1 ZINC000430182079 858070146 /nfs/dbraw/zinc/07/01/46/858070146.db2.gz XGZMFHIKHDMCQZ-IBGZPJMESA-N 1 1 421.522 4.256 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000431209118 858504113 /nfs/dbraw/zinc/50/41/13/858504113.db2.gz PYVGYWOEICSXOC-QAPCUYQASA-N 1 1 414.456 4.334 20 30 HIEDMO C=CCN1C(=O)N([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431520394 858654901 /nfs/dbraw/zinc/65/49/01/858654901.db2.gz OSULUIGAPXVJQZ-MBSDFSHPSA-N 1 1 414.509 4.303 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901800 858862773 /nfs/dbraw/zinc/86/27/73/858862773.db2.gz YHCVPIMGJQONIS-DNQXCXABSA-N 1 1 420.557 4.012 20 30 HIEDMO C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000432013027 858926553 /nfs/dbraw/zinc/92/65/53/858926553.db2.gz PAYLJSRNTISKHR-QGZVFWFLSA-N 1 1 405.498 4.174 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000432940515 859438885 /nfs/dbraw/zinc/43/88/85/859438885.db2.gz SCWZVMOOBJOGIZ-SJORKVTESA-N 1 1 405.384 4.412 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000432940515 859438890 /nfs/dbraw/zinc/43/88/90/859438890.db2.gz SCWZVMOOBJOGIZ-SJORKVTESA-N 1 1 405.384 4.412 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433462886 859713865 /nfs/dbraw/zinc/71/38/65/859713865.db2.gz MMKWFLAPBRAWRO-LJQANCHMSA-N 1 1 422.529 4.281 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433833299 859921826 /nfs/dbraw/zinc/92/18/26/859921826.db2.gz NFUUJBDTCOTBKI-HXUWFJFHSA-N 1 1 407.562 4.491 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434498990 860374568 /nfs/dbraw/zinc/37/45/68/860374568.db2.gz WHHRFVFJRAZXSA-LJQANCHMSA-N 1 1 409.505 4.291 20 30 HIEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000434611666 860428214 /nfs/dbraw/zinc/42/82/14/860428214.db2.gz JLTWKJOPXBALHF-JOCHJYFZSA-N 1 1 405.477 4.151 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CCCCCO)sc2C1 ZINC000434683376 860458180 /nfs/dbraw/zinc/45/81/80/860458180.db2.gz GGJRRNYNARHIGL-MRXNPFEDSA-N 1 1 405.608 4.194 20 30 HIEDMO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865670 860528322 /nfs/dbraw/zinc/52/83/22/860528322.db2.gz SEXRNDYAMRZQSR-GLDPYIMESA-N 1 1 405.542 4.040 20 30 HIEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000435103319 860642770 /nfs/dbraw/zinc/64/27/70/860642770.db2.gz MGVPMXULCTYLOB-YADHBBJMSA-N 1 1 418.541 4.422 20 30 HIEDMO N#Cc1cc(F)ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000435173393 860677907 /nfs/dbraw/zinc/67/79/07/860677907.db2.gz LCESEQQLFBMLJA-KRWDZBQOSA-N 1 1 406.383 4.112 20 30 HIEDMO N#Cc1csc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000437743532 863069313 /nfs/dbraw/zinc/06/93/13/863069313.db2.gz IIHTXTILQVNISU-MRXNPFEDSA-N 1 1 407.461 4.146 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437961286 863333552 /nfs/dbraw/zinc/33/35/52/863333552.db2.gz GVXLXJNCVRFSQW-WIYYLYMNSA-N 1 1 406.530 4.392 20 30 HIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000437968443 863338037 /nfs/dbraw/zinc/33/80/37/863338037.db2.gz DKVMPPSMDUEVMF-GOSISDBHSA-N 1 1 414.456 4.145 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)cc1 ZINC000438058884 863429519 /nfs/dbraw/zinc/42/95/19/863429519.db2.gz XWIZOVAMAPYYOW-AFARHQOCSA-N 1 1 422.960 4.375 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438064587 863438349 /nfs/dbraw/zinc/43/83/49/863438349.db2.gz KCSZVGQURSDCGK-DEOSSOPVSA-N 1 1 424.548 4.467 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1C#N ZINC000438503865 863925622 /nfs/dbraw/zinc/92/56/22/863925622.db2.gz GVEFQXQUKNFHSR-RUZDIDTESA-N 1 1 416.525 4.220 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1C#N ZINC000438503865 863925644 /nfs/dbraw/zinc/92/56/44/863925644.db2.gz GVEFQXQUKNFHSR-RUZDIDTESA-N 1 1 416.525 4.220 20 30 HIEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000438652640 864095025 /nfs/dbraw/zinc/09/50/25/864095025.db2.gz XUORLUOSUBBFFA-KRWDZBQOSA-N 1 1 407.514 4.189 20 30 HIEDMO N#CCC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000438834628 864327720 /nfs/dbraw/zinc/32/77/20/864327720.db2.gz INIFXERBWUOVRD-QFIPXVFZSA-N 1 1 412.484 4.273 20 30 HIEDMO N#CCC[C@@H](NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000438859343 864352978 /nfs/dbraw/zinc/35/29/78/864352978.db2.gz BXWALLBQEJANKU-XMMPIXPASA-N 1 1 404.558 4.382 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000438859015 864353298 /nfs/dbraw/zinc/35/32/98/864353298.db2.gz OWGIBXXKKIITRT-ROKPMTFOSA-N 1 1 420.557 4.140 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000438859015 864353309 /nfs/dbraw/zinc/35/33/09/864353309.db2.gz OWGIBXXKKIITRT-ROKPMTFOSA-N 1 1 420.557 4.140 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557395 864883195 /nfs/dbraw/zinc/88/31/95/864883195.db2.gz MBWCFHCKRDLWNA-VXKWHMMOSA-N 1 1 418.585 4.486 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557395 864883196 /nfs/dbraw/zinc/88/31/96/864883196.db2.gz MBWCFHCKRDLWNA-VXKWHMMOSA-N 1 1 418.585 4.486 20 30 HIEDMO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000439601450 864923788 /nfs/dbraw/zinc/92/37/88/864923788.db2.gz MFFBMVDLKLYJME-GOSISDBHSA-N 1 1 412.578 4.164 20 30 HIEDMO CCCc1c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669979 865001023 /nfs/dbraw/zinc/00/10/23/865001023.db2.gz GDOFYGHWPXWWEU-QZTJIDSGSA-N 1 1 408.550 4.081 20 30 HIEDMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC#Cc4cccc(Cl)c4)CC3)cc2NC1=O ZINC000439793780 865114940 /nfs/dbraw/zinc/11/49/40/865114940.db2.gz MTCKAKOWDDQGKL-MRXNPFEDSA-N 1 1 422.912 4.006 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000439990239 865300682 /nfs/dbraw/zinc/30/06/82/865300682.db2.gz UBWDNLCMDQVCJN-YMTGICSTSA-N 1 1 424.589 4.071 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440250694 865493636 /nfs/dbraw/zinc/49/36/36/865493636.db2.gz BFRWZOKZSDNWCL-PKTZIBPZSA-N 1 1 405.546 4.123 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551470 865815874 /nfs/dbraw/zinc/81/58/74/865815874.db2.gz CCDFRKYKGNLXNT-QPPBQGQZSA-N 1 1 423.944 4.320 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551470 865815880 /nfs/dbraw/zinc/81/58/80/865815880.db2.gz CCDFRKYKGNLXNT-QPPBQGQZSA-N 1 1 423.944 4.320 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000440982325 866063616 /nfs/dbraw/zinc/06/36/16/866063616.db2.gz APBFOCLCNQCUMS-RHDBISNHSA-N 1 1 404.505 4.118 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000440982325 866063643 /nfs/dbraw/zinc/06/36/43/866063643.db2.gz APBFOCLCNQCUMS-RHDBISNHSA-N 1 1 404.505 4.118 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060188 866140141 /nfs/dbraw/zinc/14/01/41/866140141.db2.gz JWYGUPHLSPBPAS-JSGCOSHPSA-N 1 1 408.449 4.240 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060188 866140152 /nfs/dbraw/zinc/14/01/52/866140152.db2.gz JWYGUPHLSPBPAS-JSGCOSHPSA-N 1 1 408.449 4.240 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095798 866191406 /nfs/dbraw/zinc/19/14/06/866191406.db2.gz RPINJRLTLFXSBY-GOEBONIOSA-N 1 1 420.460 4.018 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095798 866191419 /nfs/dbraw/zinc/19/14/19/866191419.db2.gz RPINJRLTLFXSBY-GOEBONIOSA-N 1 1 420.460 4.018 20 30 HIEDMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260954 866334802 /nfs/dbraw/zinc/33/48/02/866334802.db2.gz OKNQFCJRLWMXRL-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260954 866334818 /nfs/dbraw/zinc/33/48/18/866334818.db2.gz OKNQFCJRLWMXRL-FOIQADDNSA-N 1 1 422.472 4.434 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441551279 866627805 /nfs/dbraw/zinc/62/78/05/866627805.db2.gz UZLQYPAVNGZKOT-UHFFFAOYSA-N 1 1 416.460 4.202 20 30 HIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000442907194 867732662 /nfs/dbraw/zinc/73/26/62/867732662.db2.gz XFJSRKQNVRXSAU-KKSFZXQISA-N 1 1 409.331 4.264 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c2cccc(Cl)c2)cc1 ZINC000443455275 868044219 /nfs/dbraw/zinc/04/42/19/868044219.db2.gz RBQHGZJZTJBINO-GAJHUEQPSA-N 1 1 413.949 4.426 20 30 HIEDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686410 868958706 /nfs/dbraw/zinc/95/87/06/868958706.db2.gz SBGCTNKIPJOSAD-UHFFFAOYSA-N 1 1 401.554 4.219 20 30 HIEDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686410 868958714 /nfs/dbraw/zinc/95/87/14/868958714.db2.gz SBGCTNKIPJOSAD-UHFFFAOYSA-N 1 1 401.554 4.219 20 30 HIEDMO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000444726559 868979848 /nfs/dbraw/zinc/97/98/48/868979848.db2.gz AZSBJZROJMOLJN-GOEBONIOSA-N 1 1 407.358 4.097 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744877 868984910 /nfs/dbraw/zinc/98/49/10/868984910.db2.gz RMNKOZQALNSMKX-GOEBONIOSA-N 1 1 409.374 4.343 20 30 HIEDMO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc(C#N)c(Cl)c4)CC3)oc21 ZINC000444767182 868993738 /nfs/dbraw/zinc/99/37/38/868993738.db2.gz RGGBCFOQBDZHMV-UHFFFAOYSA-N 1 1 408.889 4.479 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448285561 872212922 /nfs/dbraw/zinc/21/29/22/872212922.db2.gz MKQFSBCFSXOZHG-HNAYVOBHSA-N 1 1 408.464 4.359 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460364371 872996083 /nfs/dbraw/zinc/99/60/83/872996083.db2.gz LGDMTCHKTRTDIG-SBUREZEXSA-N 1 1 413.525 4.382 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460364371 872996113 /nfs/dbraw/zinc/99/61/13/872996113.db2.gz LGDMTCHKTRTDIG-SBUREZEXSA-N 1 1 413.525 4.382 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460367219 873000174 /nfs/dbraw/zinc/00/01/74/873000174.db2.gz ASWOFQJXTGOCHQ-YUVXSKOASA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460572238 873306303 /nfs/dbraw/zinc/30/63/03/873306303.db2.gz AYDWKISIYFETAX-AZUAARDMSA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460572241 873306533 /nfs/dbraw/zinc/30/65/33/873306533.db2.gz AYDWKISIYFETAX-UYAOXDASSA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460770575 873618244 /nfs/dbraw/zinc/61/82/44/873618244.db2.gz RRLZLULMOPLWDX-NNWRFLSQSA-N 1 1 409.578 4.368 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460775892 873627716 /nfs/dbraw/zinc/62/77/16/873627716.db2.gz HQRRHXKXBXPADT-PABCKOPISA-N 1 1 423.605 4.441 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460777796 873629598 /nfs/dbraw/zinc/62/95/98/873629598.db2.gz IXBQFKDHTIFLON-CWKRKGSWSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460793882 873659993 /nfs/dbraw/zinc/65/99/93/873659993.db2.gz MOIMFDSVTHQOFP-SWUCNREESA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460793884 873660786 /nfs/dbraw/zinc/66/07/86/873660786.db2.gz MOIMFDSVTHQOFP-UDIDDNNKSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460810551 873688803 /nfs/dbraw/zinc/68/88/03/873688803.db2.gz DADCBDPTWXBGIP-CTNGQTDRSA-N 1 1 406.578 4.024 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460952205 873850512 /nfs/dbraw/zinc/85/05/12/873850512.db2.gz NZPSVEXKXCXNKL-NNWRFLSQSA-N 1 1 409.578 4.020 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961176 873857074 /nfs/dbraw/zinc/85/70/74/873857074.db2.gz RZHAYXMLWIRHHO-RBBKRZOGSA-N 1 1 416.573 4.406 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000461266894 874275792 /nfs/dbraw/zinc/27/57/92/874275792.db2.gz YIHMRPGCPPLULY-NRFANRHFSA-N 1 1 407.562 4.027 20 30 HIEDMO C=CCc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000461432744 874478681 /nfs/dbraw/zinc/47/86/81/874478681.db2.gz VJIXBCGUBYEKQN-GGAORHGYSA-N 1 1 420.553 4.026 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462033087 875147568 /nfs/dbraw/zinc/14/75/68/875147568.db2.gz RIAPEYCVOLRIPR-UHFFFAOYSA-N 1 1 416.481 4.282 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1F ZINC000462185166 875287249 /nfs/dbraw/zinc/28/72/49/875287249.db2.gz YMTFNTJYPUKDGI-UHFFFAOYSA-N 1 1 406.417 4.326 20 30 HIEDMO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189818 875295836 /nfs/dbraw/zinc/29/58/36/875295836.db2.gz PHQFXEDBYZKOSX-FGZHOGPDSA-N 1 1 415.509 4.174 20 30 HIEDMO CSc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189817 875296469 /nfs/dbraw/zinc/29/64/69/875296469.db2.gz PHQFXEDBYZKOSX-FCHUYYIVSA-N 1 1 415.509 4.174 20 30 HIEDMO C=CCOc1ccccc1CNCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000462728174 875804326 /nfs/dbraw/zinc/80/43/26/875804326.db2.gz YPZNTUJECXMVMB-UHFFFAOYSA-N 1 1 419.491 4.312 20 30 HIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)c1C ZINC000462764673 875826033 /nfs/dbraw/zinc/82/60/33/875826033.db2.gz GUOJAJOKSCEEAW-UHFFFAOYSA-N 1 1 415.497 4.155 20 30 HIEDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468916682 882975116 /nfs/dbraw/zinc/97/51/16/882975116.db2.gz JIFCYLKNVIFXBJ-ZEQKJWHPSA-N 1 1 414.505 4.106 20 30 HIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1OCCCO ZINC000463026620 876046110 /nfs/dbraw/zinc/04/61/10/876046110.db2.gz AOXUPXTYQAQHEO-CYBMUJFWSA-N 1 1 407.283 4.072 20 30 HIEDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000463064059 876093180 /nfs/dbraw/zinc/09/31/80/876093180.db2.gz YKVRGHUKXHATLP-XMMPIXPASA-N 1 1 420.534 4.013 20 30 HIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(Br)c1N ZINC000463286638 876346254 /nfs/dbraw/zinc/34/62/54/876346254.db2.gz IKLVGPDBPMDSTG-UHFFFAOYSA-N 1 1 409.125 4.297 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463429748 876483581 /nfs/dbraw/zinc/48/35/81/876483581.db2.gz KQJIQXHWQSYFBT-DEOSSOPVSA-N 1 1 410.583 4.220 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463429748 876483590 /nfs/dbraw/zinc/48/35/90/876483590.db2.gz KQJIQXHWQSYFBT-DEOSSOPVSA-N 1 1 410.583 4.220 20 30 HIEDMO N#CCCCn1cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)c2ccccc21 ZINC000469003071 883069755 /nfs/dbraw/zinc/06/97/55/883069755.db2.gz QHNGLUNJYXKNCX-UHFFFAOYSA-N 1 1 406.555 4.007 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000464337974 877529630 /nfs/dbraw/zinc/52/96/30/877529630.db2.gz GSTUQSJLGRLZED-QHCPKHFHSA-N 1 1 403.526 4.132 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464399680 877601801 /nfs/dbraw/zinc/60/18/01/877601801.db2.gz ZVJNGYBAOHDLBK-OAQYLSRUSA-N 1 1 408.542 4.244 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCCOc3ccccc3)C3CCOCC3)o2)cc1 ZINC000464596446 877824248 /nfs/dbraw/zinc/82/42/48/877824248.db2.gz MPXAXJHBYXZYEK-UHFFFAOYSA-N 1 1 418.497 4.058 20 30 HIEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000464628368 877846433 /nfs/dbraw/zinc/84/64/33/877846433.db2.gz YFLKUGLGYHVLFA-CQSZACIVSA-N 1 1 413.591 4.438 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCc2cccs2)c1C#N ZINC000464760543 878000810 /nfs/dbraw/zinc/00/08/10/878000810.db2.gz IELUGCIDULONNJ-UHFFFAOYSA-N 1 1 424.545 4.339 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCc2cccs2)c1C#N ZINC000464760543 878000828 /nfs/dbraw/zinc/00/08/28/878000828.db2.gz IELUGCIDULONNJ-UHFFFAOYSA-N 1 1 424.545 4.339 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464839339 878105034 /nfs/dbraw/zinc/10/50/34/878105034.db2.gz XTZDPTRLYGACAQ-XMMPIXPASA-N 1 1 418.585 4.004 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841074 878108351 /nfs/dbraw/zinc/10/83/51/878108351.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 1 1 411.615 4.105 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503355973 912330474 /nfs/dbraw/zinc/33/04/74/912330474.db2.gz LEPBODIJSHNNSD-JOCHJYFZSA-N 1 1 409.578 4.074 20 30 HIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467272126 881012068 /nfs/dbraw/zinc/01/20/68/881012068.db2.gz YCNORBIBTMGUSC-UHFFFAOYSA-N 1 1 417.347 4.297 20 30 HIEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298350 881044714 /nfs/dbraw/zinc/04/47/14/881044714.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298350 881044735 /nfs/dbraw/zinc/04/47/35/881044735.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298350 881044754 /nfs/dbraw/zinc/04/47/54/881044754.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469125876 883221506 /nfs/dbraw/zinc/22/15/06/883221506.db2.gz YTMNLIKWXQUDNY-WOJBJXKFSA-N 1 1 410.480 4.109 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1)CC1CC1 ZINC000469226552 883325924 /nfs/dbraw/zinc/32/59/24/883325924.db2.gz GMHQAJDOQKSKJI-UHFFFAOYSA-N 1 1 406.530 4.187 20 30 HIEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1SCC#N ZINC000469737012 883894240 /nfs/dbraw/zinc/89/42/40/883894240.db2.gz YIWLGSQJTQOWHW-UHFFFAOYSA-N 1 1 423.460 4.270 20 30 HIEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1SCC#N ZINC000469737012 883894246 /nfs/dbraw/zinc/89/42/46/883894246.db2.gz YIWLGSQJTQOWHW-UHFFFAOYSA-N 1 1 423.460 4.270 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C[C@@H]1CCCCO1 ZINC000470419376 884821833 /nfs/dbraw/zinc/82/18/33/884821833.db2.gz QFLAVCWUGKXCLD-NRFANRHFSA-N 1 1 424.549 4.220 20 30 HIEDMO CC1(c2ccc(Cl)cc2)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000470865680 885355236 /nfs/dbraw/zinc/35/52/36/885355236.db2.gz IQXVHNUSVYGHDJ-UHFFFAOYSA-N 1 1 402.947 4.039 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000471037685 885547676 /nfs/dbraw/zinc/54/76/76/885547676.db2.gz LKVNVRFVIFIBKN-OAHLLOKOSA-N 1 1 400.573 4.392 20 30 HIEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000471146345 885691444 /nfs/dbraw/zinc/69/14/44/885691444.db2.gz ZEKXVPJFQLDLOH-RUZDIDTESA-N 1 1 410.521 4.321 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169506 885725312 /nfs/dbraw/zinc/72/53/12/885725312.db2.gz OXOIMOQFBILCHW-PZJWPPBQSA-N 1 1 422.598 4.478 20 30 HIEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471282676 885863585 /nfs/dbraw/zinc/86/35/85/885863585.db2.gz LGYPBCONPIVPMZ-PSWAGMNNSA-N 1 1 422.532 4.077 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000471732426 886451404 /nfs/dbraw/zinc/45/14/04/886451404.db2.gz WKNWVBDOKDCQJH-OAQYLSRUSA-N 1 1 407.558 4.195 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000471732426 886451437 /nfs/dbraw/zinc/45/14/37/886451437.db2.gz WKNWVBDOKDCQJH-OAQYLSRUSA-N 1 1 407.558 4.195 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCO)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000472228503 887034125 /nfs/dbraw/zinc/03/41/25/887034125.db2.gz GPCPMUSMKLNZOE-QHCPKHFHSA-N 1 1 401.510 4.110 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472305167 887130162 /nfs/dbraw/zinc/13/01/62/887130162.db2.gz JFNXWRDPXIVTQG-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472305167 887130168 /nfs/dbraw/zinc/13/01/68/887130168.db2.gz JFNXWRDPXIVTQG-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472431216 887279538 /nfs/dbraw/zinc/27/95/38/887279538.db2.gz MJTGFXVLEUEGOP-FQEVSTJZSA-N 1 1 401.510 4.453 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173889 887950450 /nfs/dbraw/zinc/95/04/50/887950450.db2.gz WWXPJIWEAWWAGZ-UPCLLVRISA-N 1 1 421.566 4.205 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(Br)c1 ZINC000473443162 888165209 /nfs/dbraw/zinc/16/52/09/888165209.db2.gz KZFWZSPOZADNRU-UHFFFAOYSA-N 1 1 403.295 4.029 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473619048 888359264 /nfs/dbraw/zinc/35/92/64/888359264.db2.gz BWUCGPPHCKEMFY-RUZDIDTESA-N 1 1 418.541 4.477 20 30 HIEDMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504429484 913242048 /nfs/dbraw/zinc/24/20/48/913242048.db2.gz QYEWZYOITBZZSB-QFIPXVFZSA-N 1 1 420.557 4.391 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C(C)(C)C)cc1 ZINC000474179634 889018651 /nfs/dbraw/zinc/01/86/51/889018651.db2.gz TVAUDLZUSYKWFQ-UHFFFAOYSA-N 1 1 409.530 4.449 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)CC2(O)CCCC2)sc2c1CCC2 ZINC000474224067 889063947 /nfs/dbraw/zinc/06/39/47/889063947.db2.gz YBCKKUIYQUCKNZ-UHFFFAOYSA-N 1 1 423.582 4.244 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000474913275 889774790 /nfs/dbraw/zinc/77/47/90/889774790.db2.gz XYWABGRKGDIVMH-KDURUIRLSA-N 1 1 405.542 4.027 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000474913275 889774802 /nfs/dbraw/zinc/77/48/02/889774802.db2.gz XYWABGRKGDIVMH-KDURUIRLSA-N 1 1 405.542 4.027 20 30 HIEDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000475358258 890283854 /nfs/dbraw/zinc/28/38/54/890283854.db2.gz LGMXYXSUJGSSDU-JOCHJYFZSA-N 1 1 421.932 4.121 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000475386486 890314754 /nfs/dbraw/zinc/31/47/54/890314754.db2.gz CRZIWUNTTNNPEI-HXUWFJFHSA-N 1 1 409.530 4.023 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000475579700 890510143 /nfs/dbraw/zinc/51/01/43/890510143.db2.gz CCUBEAYUCPBACO-FGZHOGPDSA-N 1 1 407.558 4.295 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CCCOC3)C2)sc2c1CCCCC2 ZINC000475737715 890678548 /nfs/dbraw/zinc/67/85/48/890678548.db2.gz DXUYUMUNWMICNJ-QFIPXVFZSA-N 1 1 401.576 4.110 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)o2)c1 ZINC000475748314 890692216 /nfs/dbraw/zinc/69/22/16/890692216.db2.gz KUHXHJXEKCVHNV-RUZDIDTESA-N 1 1 413.525 4.096 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476487356 891396906 /nfs/dbraw/zinc/39/69/06/891396906.db2.gz IUABZUDZVJYDMQ-JOCHJYFZSA-N 1 1 405.542 4.320 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476611857 891546575 /nfs/dbraw/zinc/54/65/75/891546575.db2.gz PARJMDLLFHTZLQ-MOPGFXCFSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476611857 891546585 /nfs/dbraw/zinc/54/65/85/891546585.db2.gz PARJMDLLFHTZLQ-MOPGFXCFSA-N 1 1 400.885 4.090 20 30 HIEDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000476998631 891925453 /nfs/dbraw/zinc/92/54/53/891925453.db2.gz XFSZYLWNZLPLJQ-ZDUSSCGKSA-N 1 1 402.589 4.224 20 30 HIEDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000476998631 891925460 /nfs/dbraw/zinc/92/54/60/891925460.db2.gz XFSZYLWNZLPLJQ-ZDUSSCGKSA-N 1 1 402.589 4.224 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044645 891970747 /nfs/dbraw/zinc/97/07/47/891970747.db2.gz CNOYZTRHBKLOPN-DFBJGRDBSA-N 1 1 420.557 4.083 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477071624 892004472 /nfs/dbraw/zinc/00/44/72/892004472.db2.gz VCSRDWWZCKSJFE-NRFANRHFSA-N 1 1 400.473 4.254 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000477358786 892324609 /nfs/dbraw/zinc/32/46/09/892324609.db2.gz VKMFNKRDOWBRNK-SFHVURJKSA-N 1 1 402.416 4.106 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000477358708 892324794 /nfs/dbraw/zinc/32/47/94/892324794.db2.gz VKMFNKRDOWBRNK-GOSISDBHSA-N 1 1 402.416 4.106 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000477984612 893084306 /nfs/dbraw/zinc/08/43/06/893084306.db2.gz KVSMRQAKLFOBGB-NSISKUIASA-N 1 1 401.576 4.299 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000477984612 893084328 /nfs/dbraw/zinc/08/43/28/893084328.db2.gz KVSMRQAKLFOBGB-NSISKUIASA-N 1 1 401.576 4.299 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2N2CCC(Cc3[nH+]ccn3C)CC2)c1Br ZINC000479983913 895338056 /nfs/dbraw/zinc/33/80/56/895338056.db2.gz GDBOKRIRJPLKFF-UHFFFAOYSA-N 1 1 424.346 4.370 20 30 HIEDMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000480574100 895933479 /nfs/dbraw/zinc/93/34/79/895933479.db2.gz CQJZEMCJELQOPQ-HNNXBMFYSA-N 1 1 405.951 4.093 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c(Br)c1 ZINC000480682059 896044302 /nfs/dbraw/zinc/04/43/02/896044302.db2.gz RBNOPNUEHNKQBY-UHFFFAOYSA-N 1 1 424.302 4.145 20 30 HIEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)s1 ZINC000481145440 896474961 /nfs/dbraw/zinc/47/49/61/896474961.db2.gz RSYQDJNWPXYDAH-UHFFFAOYSA-N 1 1 418.360 4.085 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180732 896521166 /nfs/dbraw/zinc/52/11/66/896521166.db2.gz XRLFYCCBHMUMOI-XXBNENTESA-N 1 1 424.976 4.087 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)c(F)c1 ZINC000481593097 896972152 /nfs/dbraw/zinc/97/21/52/896972152.db2.gz BTDYGVGJFUPTSV-HSZRJFAPSA-N 1 1 414.496 4.036 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611827 896992752 /nfs/dbraw/zinc/99/27/52/896992752.db2.gz LGERJLZEAQSZLC-WNSKOXEYSA-N 1 1 418.484 4.456 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611823 896993137 /nfs/dbraw/zinc/99/31/37/896993137.db2.gz LGERJLZEAQSZLC-IQMFZBJNSA-N 1 1 418.484 4.456 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611821 896993238 /nfs/dbraw/zinc/99/32/38/896993238.db2.gz LGERJLZEAQSZLC-CMJOXMDJSA-N 1 1 418.484 4.456 20 30 HIEDMO COc1cc(I)c(Cl)cc1C[NH2+]Cc1cc(C#N)cs1 ZINC000481728979 897123725 /nfs/dbraw/zinc/12/37/25/897123725.db2.gz MABKTAQLVMYRGK-UHFFFAOYSA-N 1 1 418.687 4.176 20 30 HIEDMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000481911836 897294770 /nfs/dbraw/zinc/29/47/70/897294770.db2.gz SKZKXMUVRRIGNU-UHFFFAOYSA-N 1 1 412.537 4.337 20 30 HIEDMO COc1ccc(-c2ccncc2)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481911836 897294781 /nfs/dbraw/zinc/29/47/81/897294781.db2.gz SKZKXMUVRRIGNU-UHFFFAOYSA-N 1 1 412.537 4.337 20 30 HIEDMO COc1ccc(-c2ccncc2)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481911836 897294795 /nfs/dbraw/zinc/29/47/95/897294795.db2.gz SKZKXMUVRRIGNU-UHFFFAOYSA-N 1 1 412.537 4.337 20 30 HIEDMO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2OC)o1 ZINC000481923247 897307411 /nfs/dbraw/zinc/30/74/11/897307411.db2.gz NPRBAPILXIZYAV-UHFFFAOYSA-N 1 1 420.465 4.157 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000482173661 897641589 /nfs/dbraw/zinc/64/15/89/897641589.db2.gz XZGXYFCUTUIAAV-FRIKZZABSA-N 1 1 403.526 4.027 20 30 HIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C1 ZINC000482514539 898100057 /nfs/dbraw/zinc/10/00/57/898100057.db2.gz UVWZFHNWNOJANT-SFHVURJKSA-N 1 1 407.514 4.075 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482627744 898231711 /nfs/dbraw/zinc/23/17/11/898231711.db2.gz HVMGALWJLWXVKX-TZIWHRDSSA-N 1 1 403.473 4.193 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482627743 898231906 /nfs/dbraw/zinc/23/19/06/898231906.db2.gz HVMGALWJLWXVKX-PZJWPPBQSA-N 1 1 403.473 4.193 20 30 HIEDMO C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482697201 898296224 /nfs/dbraw/zinc/29/62/24/898296224.db2.gz JNYMUHVKDHHIKB-KRWDZBQOSA-N 1 1 421.545 4.485 20 30 HIEDMO C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482697201 898296238 /nfs/dbraw/zinc/29/62/38/898296238.db2.gz JNYMUHVKDHHIKB-KRWDZBQOSA-N 1 1 421.545 4.485 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483593899 899244349 /nfs/dbraw/zinc/24/43/49/899244349.db2.gz DAKPQOFJEPPZJF-LADGPHEKSA-N 1 1 417.553 4.229 20 30 HIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624985 899278861 /nfs/dbraw/zinc/27/88/61/899278861.db2.gz OGZPNSFJMVFDCC-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624985 899278871 /nfs/dbraw/zinc/27/88/71/899278871.db2.gz OGZPNSFJMVFDCC-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484938988 900309782 /nfs/dbraw/zinc/30/97/82/900309782.db2.gz ZEOVJTUFVXPLFP-OAQYLSRUSA-N 1 1 415.459 4.329 20 30 HIEDMO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000485349732 900641324 /nfs/dbraw/zinc/64/13/24/900641324.db2.gz RZPJSJXXHMEOQE-GJZGRUSLSA-N 1 1 408.449 4.270 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485469744 900764492 /nfs/dbraw/zinc/76/44/92/900764492.db2.gz WWTAQZOOHORZGX-FGZHOGPDSA-N 1 1 410.583 4.374 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485469744 900764501 /nfs/dbraw/zinc/76/45/01/900764501.db2.gz WWTAQZOOHORZGX-FGZHOGPDSA-N 1 1 410.583 4.374 20 30 HIEDMO N#C[C@H]1N(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000505832247 914485621 /nfs/dbraw/zinc/48/56/21/914485621.db2.gz KYUBWIIHZZFFBH-RSXGOPAZSA-N 1 1 417.553 4.143 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505849660 914497590 /nfs/dbraw/zinc/49/75/90/914497590.db2.gz BGTVNUFTYDAJHO-CHHLAKQQSA-N 1 1 420.557 4.129 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505849660 914497602 /nfs/dbraw/zinc/49/76/02/914497602.db2.gz BGTVNUFTYDAJHO-CHHLAKQQSA-N 1 1 420.557 4.129 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505849661 914498169 /nfs/dbraw/zinc/49/81/69/914498169.db2.gz BGTVNUFTYDAJHO-GNNUASRNSA-N 1 1 420.557 4.129 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505849661 914498179 /nfs/dbraw/zinc/49/81/79/914498179.db2.gz BGTVNUFTYDAJHO-GNNUASRNSA-N 1 1 420.557 4.129 20 30 HIEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000485825677 901073101 /nfs/dbraw/zinc/07/31/01/901073101.db2.gz VEXMWLNQEYFWPC-GOSISDBHSA-N 1 1 411.571 4.221 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000486024480 901230471 /nfs/dbraw/zinc/23/04/71/901230471.db2.gz VZJSCJOSXYQEKM-KKSFZXQISA-N 1 1 423.467 4.232 20 30 HIEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486164663 901352126 /nfs/dbraw/zinc/35/21/26/901352126.db2.gz LIFKHUDMUOBXON-UHFFFAOYSA-N 1 1 420.341 4.005 20 30 HIEDMO CC(C)[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000486245677 901428559 /nfs/dbraw/zinc/42/85/59/901428559.db2.gz SDQOBQNBKBMPPY-QHCPKHFHSA-N 1 1 406.530 4.136 20 30 HIEDMO N#C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc(C(F)(F)F)c1 ZINC000486427270 901585685 /nfs/dbraw/zinc/58/56/85/901585685.db2.gz BFNPQMZLBVXWCK-OAHLLOKOSA-N 1 1 421.329 4.218 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929411 914581156 /nfs/dbraw/zinc/58/11/56/914581156.db2.gz CTUDEIYBVYPEQF-PMACEKPBSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930677 914582921 /nfs/dbraw/zinc/58/29/21/914582921.db2.gz QQUHLPPHFPYTSV-TZIWHRDSSA-N 1 1 418.541 4.472 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1 ZINC000488243193 902718388 /nfs/dbraw/zinc/71/83/88/902718388.db2.gz WAVMSWSPDRPCFG-UHFFFAOYSA-N 1 1 408.452 4.106 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488394158 902804034 /nfs/dbraw/zinc/80/40/34/902804034.db2.gz GZEIPBAIMUHVEQ-UHFFFAOYSA-N 1 1 403.320 4.126 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000488400448 902808905 /nfs/dbraw/zinc/80/89/05/902808905.db2.gz COBHJYHWGVBEEF-YADHBBJMSA-N 1 1 411.571 4.432 20 30 HIEDMO C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000489015857 903122058 /nfs/dbraw/zinc/12/20/58/903122058.db2.gz PZQCVCUWNSEZBZ-XZOQPEGZSA-N 1 1 405.542 4.151 20 30 HIEDMO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000489590081 903482046 /nfs/dbraw/zinc/48/20/46/903482046.db2.gz YTLBAGBDAGCPKY-QGZVFWFLSA-N 1 1 409.555 4.129 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000489590081 903482051 /nfs/dbraw/zinc/48/20/51/903482051.db2.gz YTLBAGBDAGCPKY-QGZVFWFLSA-N 1 1 409.555 4.129 20 30 HIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000489593533 903485213 /nfs/dbraw/zinc/48/52/13/903485213.db2.gz CDMRYLXOBATHMW-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000489817292 903611967 /nfs/dbraw/zinc/61/19/67/903611967.db2.gz GEXCRYCXTKXVEN-OCFYOKIWSA-N 1 1 416.569 4.378 20 30 HIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866792 903637831 /nfs/dbraw/zinc/63/78/31/903637831.db2.gz SJAMSVIJTNSDNF-PBHICJAKSA-N 1 1 413.319 4.127 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506056235 914758002 /nfs/dbraw/zinc/75/80/02/914758002.db2.gz KOLYOHREPZTDEQ-LJQANCHMSA-N 1 1 418.541 4.084 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000490326696 903911484 /nfs/dbraw/zinc/91/14/84/903911484.db2.gz JLLXXXBQOYDBHF-UYAOXDASSA-N 1 1 405.395 4.068 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000490326696 903911501 /nfs/dbraw/zinc/91/15/01/903911501.db2.gz JLLXXXBQOYDBHF-UYAOXDASSA-N 1 1 405.395 4.068 20 30 HIEDMO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491247198 904501581 /nfs/dbraw/zinc/50/15/81/904501581.db2.gz BKRWYMVEJQYZCH-NRFANRHFSA-N 1 1 424.451 4.134 20 30 HIEDMO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491247198 904501593 /nfs/dbraw/zinc/50/15/93/904501593.db2.gz BKRWYMVEJQYZCH-NRFANRHFSA-N 1 1 424.451 4.134 20 30 HIEDMO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492271684 904826905 /nfs/dbraw/zinc/82/69/05/904826905.db2.gz PSSBYELXRVVDOX-YJBOKZPZSA-N 1 1 414.456 4.192 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000492696677 904890019 /nfs/dbraw/zinc/89/00/19/904890019.db2.gz OJQUOZUHTYDLQR-UHFFFAOYSA-N 1 1 424.342 4.122 20 30 HIEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(C#N)ccc1Br ZINC000492750842 904897925 /nfs/dbraw/zinc/89/79/25/904897925.db2.gz QZJFGCWBCHMMDV-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487524 921195391 /nfs/dbraw/zinc/19/53/91/921195391.db2.gz VSARCFMFBYZGLK-SJORKVTESA-N 1 1 403.592 4.233 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1OCC ZINC000512501867 921203230 /nfs/dbraw/zinc/20/32/30/921203230.db2.gz QOPIFMPYNGAOOH-QGZVFWFLSA-N 1 1 423.355 4.028 20 30 HIEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000497097399 906805266 /nfs/dbraw/zinc/80/52/66/906805266.db2.gz LVKDPONYLFIXSZ-UHFFFAOYSA-N 1 1 418.921 4.383 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620009 907098781 /nfs/dbraw/zinc/09/87/81/907098781.db2.gz WUJOPJOWKIZZPJ-SFHVURJKSA-N 1 1 404.514 4.097 20 30 HIEDMO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000497727965 907224811 /nfs/dbraw/zinc/22/48/11/907224811.db2.gz QKUZZAXMNYJEHG-UHFFFAOYSA-N 1 1 417.534 4.155 20 30 HIEDMO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000512841200 921343784 /nfs/dbraw/zinc/34/37/84/921343784.db2.gz RBPMOIMWUOPXOS-HNNXBMFYSA-N 1 1 415.896 4.071 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000512851421 921356617 /nfs/dbraw/zinc/35/66/17/921356617.db2.gz JFMPVFOHQYAPMH-INIZCTEOSA-N 1 1 408.477 4.048 20 30 HIEDMO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512853280 921358353 /nfs/dbraw/zinc/35/83/53/921358353.db2.gz VSUWKJZGHSSWSX-TZIWHRDSSA-N 1 1 402.542 4.256 20 30 HIEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000498392759 907876955 /nfs/dbraw/zinc/87/69/55/907876955.db2.gz UNAOMRXUCKNFPU-PKTZIBPZSA-N 1 1 407.514 4.360 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@H+]2C2CC2)c1 ZINC000498531046 908001394 /nfs/dbraw/zinc/00/13/94/908001394.db2.gz YUJOJGSCHXDHDH-LEWJYISDSA-N 1 1 410.905 4.320 20 30 HIEDMO N#Cc1ccc(OCC[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000498911995 908322320 /nfs/dbraw/zinc/32/23/20/908322320.db2.gz BUKXXBKWHKUERU-UHFFFAOYSA-N 1 1 404.341 4.104 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000499161929 908516535 /nfs/dbraw/zinc/51/65/35/908516535.db2.gz OTQGDCICQNIBOL-XQUALCHDSA-N 1 1 418.560 4.451 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1C ZINC000499608359 908854651 /nfs/dbraw/zinc/85/46/51/908854651.db2.gz RJCPMFIGTGRQFI-MOPGFXCFSA-N 1 1 406.530 4.278 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769024 908909309 /nfs/dbraw/zinc/90/93/09/908909309.db2.gz ZHDQLXBWQYLCCQ-KDXIVRHGSA-N 1 1 403.526 4.113 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769024 908909332 /nfs/dbraw/zinc/90/93/32/908909332.db2.gz ZHDQLXBWQYLCCQ-KDXIVRHGSA-N 1 1 403.526 4.113 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769026 908910934 /nfs/dbraw/zinc/91/09/34/908910934.db2.gz ZHDQLXBWQYLCCQ-XYEHWOGUSA-N 1 1 403.526 4.113 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769026 908910955 /nfs/dbraw/zinc/91/09/55/908910955.db2.gz ZHDQLXBWQYLCCQ-XYEHWOGUSA-N 1 1 403.526 4.113 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCCCC#N ZINC000513042147 921501665 /nfs/dbraw/zinc/50/16/65/921501665.db2.gz VRCOKIJTUOQAPK-XMMPIXPASA-N 1 1 422.504 4.472 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCCCC#N ZINC000513042147 921501674 /nfs/dbraw/zinc/50/16/74/921501674.db2.gz VRCOKIJTUOQAPK-XMMPIXPASA-N 1 1 422.504 4.472 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000500393490 909831403 /nfs/dbraw/zinc/83/14/03/909831403.db2.gz KNOXWUFVJAPRKX-QFIPXVFZSA-N 1 1 416.550 4.219 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000500393490 909831412 /nfs/dbraw/zinc/83/14/12/909831412.db2.gz KNOXWUFVJAPRKX-QFIPXVFZSA-N 1 1 416.550 4.219 20 30 HIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000500582609 909945303 /nfs/dbraw/zinc/94/53/03/909945303.db2.gz YJEVMGDNHDVPSW-UHFFFAOYSA-N 1 1 412.415 4.327 20 30 HIEDMO C[N@@H+](CCCNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513107709 921553980 /nfs/dbraw/zinc/55/39/80/921553980.db2.gz HJFMCBUMFZCCJR-UHFFFAOYSA-N 1 1 413.521 4.389 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000513126234 921570680 /nfs/dbraw/zinc/57/06/80/921570680.db2.gz PRRUKUDUCRKNMH-HSZRJFAPSA-N 1 1 408.542 4.291 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)n2c1 ZINC000513129178 921572589 /nfs/dbraw/zinc/57/25/89/921572589.db2.gz WHQIVBSLCIEIOQ-KRWDZBQOSA-N 1 1 418.888 4.289 20 30 HIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765079 910820454 /nfs/dbraw/zinc/82/04/54/910820454.db2.gz AHJWPPNUHJFGIT-FQEVSTJZSA-N 1 1 408.546 4.483 20 30 HIEDMO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501949446 910936635 /nfs/dbraw/zinc/93/66/35/910936635.db2.gz RLTSVKVGMLJSAV-AUSIDOKSSA-N 1 1 407.583 4.475 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190254 911128198 /nfs/dbraw/zinc/12/81/98/911128198.db2.gz UKFFEVBXILHGBA-CJFMBICVSA-N 1 1 414.553 4.268 20 30 HIEDMO C=CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Br)ccc1F ZINC000502197562 911141102 /nfs/dbraw/zinc/14/11/02/911141102.db2.gz UAAUUTZXVKZNDI-UHFFFAOYSA-N 1 1 416.294 4.468 20 30 HIEDMO C=CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Br)ccc1F ZINC000502197562 911141133 /nfs/dbraw/zinc/14/11/33/911141133.db2.gz UAAUUTZXVKZNDI-UHFFFAOYSA-N 1 1 416.294 4.468 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3cccc(F)c3C2)c1C#N ZINC000502506578 911511704 /nfs/dbraw/zinc/51/17/04/911511704.db2.gz RBRQKUSNXPATTI-UHFFFAOYSA-N 1 1 420.488 4.144 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C#N ZINC000503063634 912028113 /nfs/dbraw/zinc/02/81/13/912028113.db2.gz OGPRPLWKXIMNSN-JTSKRJEESA-N 1 1 422.577 4.200 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C#N ZINC000503063634 912028116 /nfs/dbraw/zinc/02/81/16/912028116.db2.gz OGPRPLWKXIMNSN-JTSKRJEESA-N 1 1 422.577 4.200 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077362 912048659 /nfs/dbraw/zinc/04/86/59/912048659.db2.gz UEIOKOFSQKOVHZ-XXBNENTESA-N 1 1 416.525 4.425 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916919 915717071 /nfs/dbraw/zinc/71/70/71/915717071.db2.gz KHDZSNPWDMVMEE-QUCCMNQESA-N 1 1 421.507 4.353 20 30 HIEDMO N#Cc1ccc(N2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)c(F)c1 ZINC000507035859 915834437 /nfs/dbraw/zinc/83/44/37/915834437.db2.gz KTKXTEBMBCJPCR-UHFFFAOYSA-N 1 1 411.278 4.335 20 30 HIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000507140288 915885803 /nfs/dbraw/zinc/88/58/03/915885803.db2.gz BZSVVHSIYPGVPH-IBGZPJMESA-N 1 1 423.557 4.223 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)C[C@H](C)O1 ZINC000508071610 916893318 /nfs/dbraw/zinc/89/33/18/916893318.db2.gz NQUALDPUIKISBV-HDICACEKSA-N 1 1 423.561 4.046 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)cs1 ZINC000508192183 917013747 /nfs/dbraw/zinc/01/37/47/917013747.db2.gz OMALVSCHNBLDCK-UHFFFAOYSA-N 1 1 424.448 4.073 20 30 HIEDMO N#CCCCCNC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000508421580 917209947 /nfs/dbraw/zinc/20/99/47/917209947.db2.gz ZNPBPXQKEKSITQ-UHFFFAOYSA-N 1 1 400.523 4.075 20 30 HIEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508478573 917263502 /nfs/dbraw/zinc/26/35/02/917263502.db2.gz RZPFXOQQOUQOPD-MOPGFXCFSA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508480498 917265068 /nfs/dbraw/zinc/26/50/68/917265068.db2.gz HONLRWQIYVXCGT-MRXNPFEDSA-N 1 1 407.484 4.318 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508490964 917275843 /nfs/dbraw/zinc/27/58/43/917275843.db2.gz RUILXPZJWZOZER-UHFFFAOYSA-N 1 1 414.557 4.019 20 30 HIEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620369 917387826 /nfs/dbraw/zinc/38/78/26/917387826.db2.gz JGAJAIXNLRFIAR-JOCHJYFZSA-N 1 1 400.526 4.325 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508724510 917485841 /nfs/dbraw/zinc/48/58/41/917485841.db2.gz SNWAQKVFCYFZGS-GGAORHGYSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508844726 917596128 /nfs/dbraw/zinc/59/61/28/917596128.db2.gz KPYDQNDPBBYQGW-GCJKJVERSA-N 1 1 416.573 4.076 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508863180 917616849 /nfs/dbraw/zinc/61/68/49/917616849.db2.gz IWGUKZVILCALFY-JOCHJYFZSA-N 1 1 402.546 4.017 20 30 HIEDMO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000509069654 917814906 /nfs/dbraw/zinc/81/49/06/917814906.db2.gz LGQNXBHPTFZMOT-LPHOPBHVSA-N 1 1 424.408 4.362 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000509069654 917814915 /nfs/dbraw/zinc/81/49/15/917814915.db2.gz LGQNXBHPTFZMOT-LPHOPBHVSA-N 1 1 424.408 4.362 20 30 HIEDMO C=CCOc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000510209244 918758477 /nfs/dbraw/zinc/75/84/77/918758477.db2.gz GKOSNZOIIPSOCG-TZIWHRDSSA-N 1 1 408.542 4.291 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000510490892 918940952 /nfs/dbraw/zinc/94/09/52/918940952.db2.gz MXWXCLMJMRGNIH-JOCHJYFZSA-N 1 1 422.529 4.137 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000510524783 918971639 /nfs/dbraw/zinc/97/16/39/918971639.db2.gz QNMKAFPRNDWOBY-OAHLLOKOSA-N 1 1 406.324 4.125 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645249 919086208 /nfs/dbraw/zinc/08/62/08/919086208.db2.gz HFXMNXQMNVYOMY-RTWAWAEBSA-N 1 1 418.541 4.108 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCCc3ccccc32)sc2c1CCCC2 ZINC000510695690 919131688 /nfs/dbraw/zinc/13/16/88/919131688.db2.gz DKCJLNZZDQMMPP-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511288713 919885221 /nfs/dbraw/zinc/88/52/21/919885221.db2.gz MEOUUENHIALZPQ-DEOSSOPVSA-N 1 1 402.542 4.317 20 30 HIEDMO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511378914 919978026 /nfs/dbraw/zinc/97/80/26/919978026.db2.gz MZXFEFZZXCDMJZ-PXNSSMCTSA-N 1 1 404.514 4.128 20 30 HIEDMO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000511476781 920086849 /nfs/dbraw/zinc/08/68/49/920086849.db2.gz OBRUGBMNNXHAGD-ZWKOTPCHSA-N 1 1 419.529 4.052 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1OC ZINC000511526303 920146961 /nfs/dbraw/zinc/14/69/61/920146961.db2.gz YJQINQNRBOUPBC-UHFFFAOYSA-N 1 1 422.319 4.369 20 30 HIEDMO N#Cc1ccc(C2(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)cc1 ZINC000511743917 920420722 /nfs/dbraw/zinc/42/07/22/920420722.db2.gz NUOGDPOKRRHNQC-IZZNHLLZSA-N 1 1 421.544 4.374 20 30 HIEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000511911544 920650773 /nfs/dbraw/zinc/65/07/73/920650773.db2.gz TYPFELQTABDBHC-QFIPXVFZSA-N 1 1 406.530 4.328 20 30 HIEDMO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#N)cc1F ZINC000512280223 921034907 /nfs/dbraw/zinc/03/49/07/921034907.db2.gz OBFYQKQFGWZUGV-UUOWRZLLSA-N 1 1 401.485 4.276 20 30 HIEDMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#N)cc1F ZINC000512280222 921035547 /nfs/dbraw/zinc/03/55/47/921035547.db2.gz OBFYQKQFGWZUGV-MHECFPHRSA-N 1 1 401.485 4.276 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512348746 921094578 /nfs/dbraw/zinc/09/45/78/921094578.db2.gz WWBXPMWFQUYXTQ-PGRDOPGGSA-N 1 1 423.582 4.391 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000513489748 921842309 /nfs/dbraw/zinc/84/23/09/921842309.db2.gz JSTYBCPNZIYBTJ-QGZVFWFLSA-N 1 1 409.368 4.081 20 30 HIEDMO C=CCc1cc(C[NH2+][C@H](CCO)c2ccccc2Br)cc(OC)c1O ZINC000514237051 922577141 /nfs/dbraw/zinc/57/71/41/922577141.db2.gz CJHGKCUPNADKSN-GOSISDBHSA-N 1 1 406.320 4.105 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000516997821 923960175 /nfs/dbraw/zinc/96/01/75/923960175.db2.gz IZQCGAMJNBQRPF-UHFFFAOYSA-N 1 1 408.506 4.351 20 30 HIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000516997821 923960189 /nfs/dbraw/zinc/96/01/89/923960189.db2.gz IZQCGAMJNBQRPF-UHFFFAOYSA-N 1 1 408.506 4.351 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202671 924049813 /nfs/dbraw/zinc/04/98/13/924049813.db2.gz RORIYYZWEMHTDP-URXFXBBRSA-N 1 1 416.481 4.113 20 30 HIEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000517360541 924131709 /nfs/dbraw/zinc/13/17/09/924131709.db2.gz HWTIATIKSXJPBW-FQEVSTJZSA-N 1 1 415.468 4.494 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435722 924185302 /nfs/dbraw/zinc/18/53/02/924185302.db2.gz QSQYRFRWPULPNR-URXFXBBRSA-N 1 1 416.481 4.113 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529817 924248036 /nfs/dbraw/zinc/24/80/36/924248036.db2.gz WGUVTNHZSLEZLU-OAHLLOKOSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529817 924248048 /nfs/dbraw/zinc/24/80/48/924248048.db2.gz WGUVTNHZSLEZLU-OAHLLOKOSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529816 924248664 /nfs/dbraw/zinc/24/86/64/924248664.db2.gz WGUVTNHZSLEZLU-HNNXBMFYSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529816 924248673 /nfs/dbraw/zinc/24/86/73/924248673.db2.gz WGUVTNHZSLEZLU-HNNXBMFYSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255404 927112376 /nfs/dbraw/zinc/11/23/76/927112376.db2.gz BQLQSCZCLOUBOW-HNNXBMFYSA-N 1 1 403.408 4.310 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000519020974 927698466 /nfs/dbraw/zinc/69/84/66/927698466.db2.gz BNTFYZRJIONMRK-SFHVURJKSA-N 1 1 408.502 4.211 20 30 HIEDMO CC(C)C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520603328 928668887 /nfs/dbraw/zinc/66/88/87/928668887.db2.gz DHCNOIVWEAZIIJ-OAQYLSRUSA-N 1 1 422.529 4.219 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521113036 929003198 /nfs/dbraw/zinc/00/31/98/929003198.db2.gz WHDKIZDGMONOCS-ZKMFCFPVSA-N 1 1 417.553 4.277 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)nc1 ZINC000521952491 929587540 /nfs/dbraw/zinc/58/75/40/929587540.db2.gz UEZGIWBGWBKEPD-OAQYLSRUSA-N 1 1 416.481 4.296 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000524590197 929701565 /nfs/dbraw/zinc/70/15/65/929701565.db2.gz YRYHFTUIEJWTAU-QGZVFWFLSA-N 1 1 424.358 4.303 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000525570774 930336605 /nfs/dbraw/zinc/33/66/05/930336605.db2.gz UDSWQXSNHHCQMA-LAUBAEHRSA-N 1 1 400.544 4.134 20 30 HIEDMO CCCc1c(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000526162914 930542492 /nfs/dbraw/zinc/54/24/92/930542492.db2.gz GWDWUTKLKKHBSA-UHFFFAOYSA-N 1 1 422.577 4.281 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670022 930793706 /nfs/dbraw/zinc/79/37/06/930793706.db2.gz YTZRZXYXYJZFHB-KNQAVFIVSA-N 1 1 415.459 4.319 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000530969357 930871658 /nfs/dbraw/zinc/87/16/58/930871658.db2.gz SVHVFZBODHBQRS-IBGZPJMESA-N 1 1 408.521 4.062 20 30 HIEDMO N#Cc1cccc(CC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000531386559 931040124 /nfs/dbraw/zinc/04/01/24/931040124.db2.gz VLHHVEWOBBRSIX-UHFFFAOYSA-N 1 1 424.548 4.057 20 30 HIEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000531587402 931110447 /nfs/dbraw/zinc/11/04/47/931110447.db2.gz FCDVMVHJXOJUFR-GOSISDBHSA-N 1 1 411.933 4.393 20 30 HIEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532155469 931331137 /nfs/dbraw/zinc/33/11/37/931331137.db2.gz JVNZHSYUIOJLJO-LJQANCHMSA-N 1 1 423.557 4.219 20 30 HIEDMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000532899953 931685498 /nfs/dbraw/zinc/68/54/98/931685498.db2.gz SGYCBWPTOGLGKV-CYBMUJFWSA-N 1 1 412.465 4.419 20 30 HIEDMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000532899953 931685505 /nfs/dbraw/zinc/68/55/05/931685505.db2.gz SGYCBWPTOGLGKV-CYBMUJFWSA-N 1 1 412.465 4.419 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000532926387 931698748 /nfs/dbraw/zinc/69/87/48/931698748.db2.gz LKFKQTBUEMAZCR-UHFFFAOYSA-N 1 1 416.294 4.453 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000533220089 931813106 /nfs/dbraw/zinc/81/31/06/931813106.db2.gz LERWXHVWPKUIRQ-OAHLLOKOSA-N 1 1 405.420 4.194 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000533220089 931813107 /nfs/dbraw/zinc/81/31/07/931813107.db2.gz LERWXHVWPKUIRQ-OAHLLOKOSA-N 1 1 405.420 4.194 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533295122 931831619 /nfs/dbraw/zinc/83/16/19/931831619.db2.gz OVCKMGKWSYVSEM-OAHLLOKOSA-N 1 1 412.331 4.311 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000533364932 931849104 /nfs/dbraw/zinc/84/91/04/931849104.db2.gz NJRHYYIPRKSWKZ-KRWDZBQOSA-N 1 1 421.888 4.080 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000533364932 931849108 /nfs/dbraw/zinc/84/91/08/931849108.db2.gz NJRHYYIPRKSWKZ-KRWDZBQOSA-N 1 1 421.888 4.080 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382299 931854255 /nfs/dbraw/zinc/85/42/55/931854255.db2.gz IHVUYLNRTRIULS-AWEZNQCLSA-N 1 1 419.554 4.191 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533387780 931855717 /nfs/dbraw/zinc/85/57/17/931855717.db2.gz OOPYKDWGGJAVLN-AWEZNQCLSA-N 1 1 419.554 4.191 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1c(C)cccc1C ZINC000533390084 931856279 /nfs/dbraw/zinc/85/62/79/931856279.db2.gz YVHHYWYTHGSCHN-UHFFFAOYSA-N 1 1 424.570 4.015 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533419557 931862557 /nfs/dbraw/zinc/86/25/57/931862557.db2.gz HHHMWHFKKWQYJX-DLBZAZTESA-N 1 1 403.592 4.354 20 30 HIEDMO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424016 931863166 /nfs/dbraw/zinc/86/31/66/931863166.db2.gz HKHDPNBPINBFRN-LAUBAEHRSA-N 1 1 409.555 4.215 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000533425535 931864311 /nfs/dbraw/zinc/86/43/11/931864311.db2.gz JMXXBEKRPUVBMI-QGZVFWFLSA-N 1 1 414.619 4.166 20 30 HIEDMO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)no1 ZINC000533515871 931891205 /nfs/dbraw/zinc/89/12/05/931891205.db2.gz QQCALKOBUNUYST-UHFFFAOYSA-N 1 1 415.541 4.224 20 30 HIEDMO COc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1OCc1cccc(C#N)c1 ZINC000534864756 932813149 /nfs/dbraw/zinc/81/31/49/932813149.db2.gz HFGFVUVNDJOGSL-UHFFFAOYSA-N 1 1 420.431 4.035 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534970356 932868145 /nfs/dbraw/zinc/86/81/45/932868145.db2.gz AUSVURONVMWCKR-WIYYLYMNSA-N 1 1 414.912 4.185 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000535211339 933018088 /nfs/dbraw/zinc/01/80/88/933018088.db2.gz KYMDCHWFPSQOBS-KRWDZBQOSA-N 1 1 421.566 4.323 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000535211339 933018093 /nfs/dbraw/zinc/01/80/93/933018093.db2.gz KYMDCHWFPSQOBS-KRWDZBQOSA-N 1 1 421.566 4.323 20 30 HIEDMO CC[C@@H](C)n1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535701866 933356706 /nfs/dbraw/zinc/35/67/06/933356706.db2.gz TVLWRWOWTXWHSF-GOSISDBHSA-N 1 1 420.561 4.343 20 30 HIEDMO CC[C@@H](C)n1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535701866 933356718 /nfs/dbraw/zinc/35/67/18/933356718.db2.gz TVLWRWOWTXWHSF-GOSISDBHSA-N 1 1 420.561 4.343 20 30 HIEDMO Cn1cc(Br)cc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000535851348 933434510 /nfs/dbraw/zinc/43/45/10/933434510.db2.gz UYAATVREAMDHMK-UHFFFAOYSA-N 1 1 412.335 4.197 20 30 HIEDMO Cn1cc(Br)cc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000535851348 933434517 /nfs/dbraw/zinc/43/45/17/933434517.db2.gz UYAATVREAMDHMK-UHFFFAOYSA-N 1 1 412.335 4.197 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000537648833 938346876 /nfs/dbraw/zinc/34/68/76/938346876.db2.gz VSXVXFUAOORTPR-KRWDZBQOSA-N 1 1 410.352 4.271 20 30 HIEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c1F ZINC000539249739 938825845 /nfs/dbraw/zinc/82/58/45/938825845.db2.gz NEQNJPSOJKSDFZ-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)c(F)c1 ZINC000539325510 938841584 /nfs/dbraw/zinc/84/15/84/938841584.db2.gz MFPHOAXWZVELCS-SFHVURJKSA-N 1 1 419.497 4.083 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539494742 938868573 /nfs/dbraw/zinc/86/85/73/938868573.db2.gz OEOUFZXOSGJNDK-XDHUDOTRSA-N 1 1 420.534 4.411 20 30 HIEDMO CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccc(C#N)c(Cl)c1 ZINC000540272597 939178931 /nfs/dbraw/zinc/17/89/31/939178931.db2.gz JCZMETUMLAJPBX-UHFFFAOYSA-N 1 1 414.912 4.159 20 30 HIEDMO Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cn1 ZINC000541204925 939485475 /nfs/dbraw/zinc/48/54/75/939485475.db2.gz XLHSQUQQLRSAQH-KRWDZBQOSA-N 1 1 408.571 4.460 20 30 HIEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ncc(Cl)c(C)c3C#N)CC2)c1C ZINC000542278582 939782946 /nfs/dbraw/zinc/78/29/46/939782946.db2.gz ZRRBQBDETOLAAW-UHFFFAOYSA-N 1 1 413.953 4.036 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542956298 939885437 /nfs/dbraw/zinc/88/54/37/939885437.db2.gz RXNBOMXZNVQLOY-UHFFFAOYSA-N 1 1 422.920 4.171 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543023401 939897364 /nfs/dbraw/zinc/89/73/64/939897364.db2.gz GHBTZVBPJJCFRL-PKOBYXMFSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543023401 939897365 /nfs/dbraw/zinc/89/73/65/939897365.db2.gz GHBTZVBPJJCFRL-PKOBYXMFSA-N 1 1 400.885 4.090 20 30 HIEDMO COc1cc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)cc1Cl ZINC000543175825 939986210 /nfs/dbraw/zinc/98/62/10/939986210.db2.gz ISFQNFNINBWUNI-UHFFFAOYSA-N 1 1 413.905 4.222 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C2CC2)s1 ZINC000543463751 940072120 /nfs/dbraw/zinc/07/21/20/940072120.db2.gz QEVKEODCAFQGIP-NRFANRHFSA-N 1 1 419.554 4.410 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)c3cnn(C)c3)sc2C1 ZINC000543505509 940088089 /nfs/dbraw/zinc/08/80/89/940088089.db2.gz STTMTVIWDLXARW-GDBMZVCRSA-N 1 1 413.591 4.184 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)nc1-c1ccc(Cl)cc1 ZINC000543503742 940088231 /nfs/dbraw/zinc/08/82/31/940088231.db2.gz KJASPZXFZXTPNY-ZUOKHONESA-N 1 1 404.967 4.477 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543585052 940119422 /nfs/dbraw/zinc/11/94/22/940119422.db2.gz FFYLVUZYEYEIKY-HZPDHXFCSA-N 1 1 401.576 4.107 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000563816891 945305734 /nfs/dbraw/zinc/30/57/34/945305734.db2.gz WCRPJDCMUASFLJ-QFBILLFUSA-N 1 1 409.408 4.246 20 30 HIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000544130854 940333947 /nfs/dbraw/zinc/33/39/47/940333947.db2.gz VYQWYXHASRRYIU-ICDZXHCJSA-N 1 1 405.542 4.280 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000544448998 940435356 /nfs/dbraw/zinc/43/53/56/940435356.db2.gz DKADNHFICRSZFR-LJQANCHMSA-N 1 1 407.543 4.410 20 30 HIEDMO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000544511944 940462834 /nfs/dbraw/zinc/46/28/34/940462834.db2.gz FXMXVQYMWYHGMN-ZDUSSCGKSA-N 1 1 413.275 4.100 20 30 HIEDMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000544511941 940463130 /nfs/dbraw/zinc/46/31/30/940463130.db2.gz FXMXVQYMWYHGMN-CYBMUJFWSA-N 1 1 413.275 4.100 20 30 HIEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000544530308 940472713 /nfs/dbraw/zinc/47/27/13/940472713.db2.gz NKZQYRKNMPPQSF-RTBURBONSA-N 1 1 412.578 4.011 20 30 HIEDMO CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850461 940519108 /nfs/dbraw/zinc/51/91/08/940519108.db2.gz BZYKADIIARCORC-QHCPKHFHSA-N 1 1 405.542 4.230 20 30 HIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000545872579 940646880 /nfs/dbraw/zinc/64/68/80/940646880.db2.gz ISPKINMJWVGUNZ-INIZCTEOSA-N 1 1 401.894 4.148 20 30 HIEDMO C[C@@](O)(C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1)C(F)(F)F ZINC000545952329 940664074 /nfs/dbraw/zinc/66/40/74/940664074.db2.gz ZDXVVHSDMHSHDK-OAHLLOKOSA-N 1 1 403.338 4.292 20 30 HIEDMO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000548617419 941115481 /nfs/dbraw/zinc/11/54/81/941115481.db2.gz ZIJYPEPIJDJUKK-HXUWFJFHSA-N 1 1 419.916 4.416 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548945330 941131922 /nfs/dbraw/zinc/13/19/22/941131922.db2.gz HFJZTDWAEUAAMZ-UHFFFAOYSA-N 1 1 404.562 4.236 20 30 HIEDMO CC(C)N1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549118483 941161869 /nfs/dbraw/zinc/16/18/69/941161869.db2.gz SPAYYNIKFCOAJP-IRLDBZIGSA-N 1 1 423.467 4.200 20 30 HIEDMO COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000549187923 941169554 /nfs/dbraw/zinc/16/95/54/941169554.db2.gz DGZUIYPCPYVQRW-UHFFFAOYSA-N 1 1 409.555 4.204 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000549271587 941175835 /nfs/dbraw/zinc/17/58/35/941175835.db2.gz LGMXUOGYZTWPQD-SFHVURJKSA-N 1 1 418.570 4.338 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549290816 941177319 /nfs/dbraw/zinc/17/73/19/941177319.db2.gz SLJQBKJBPMMUST-SFTDATJTSA-N 1 1 408.594 4.315 20 30 HIEDMO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549299463 941178257 /nfs/dbraw/zinc/17/82/57/941178257.db2.gz RFTMVIGVQCEMHG-NRFANRHFSA-N 1 1 411.594 4.218 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000549678811 941204256 /nfs/dbraw/zinc/20/42/56/941204256.db2.gz MEEBCJCMWVEVES-GOSISDBHSA-N 1 1 422.964 4.453 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549698582 941204993 /nfs/dbraw/zinc/20/49/93/941204993.db2.gz IQBAECBQYGMVBP-IBGZPJMESA-N 1 1 404.562 4.238 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+](Cc3cccc(C(N)=O)c3)C3CC3)c2)c1 ZINC000550219421 941300624 /nfs/dbraw/zinc/30/06/24/941300624.db2.gz PBNDOTQZSLDYJX-UHFFFAOYSA-N 1 1 411.505 4.401 20 30 HIEDMO COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302470 /nfs/dbraw/zinc/30/24/70/941302470.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 1 1 405.542 4.064 20 30 HIEDMO Cc1sc(C2([NH2+][C@@H](C)C(=O)NC3(C#N)CCC3)CCC2)nc1-c1ccccc1F ZINC000550526044 941335452 /nfs/dbraw/zinc/33/54/52/941335452.db2.gz VZDIUIKSDVXXCI-AWEZNQCLSA-N 1 1 412.534 4.177 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1Cl ZINC000551815898 941551775 /nfs/dbraw/zinc/55/17/75/941551775.db2.gz FAYOBYAPBAGFPV-FATZIPQQSA-N 1 1 422.916 4.287 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000552102538 941585269 /nfs/dbraw/zinc/58/52/69/941585269.db2.gz DWTZDWBPUYHYKL-KRWDZBQOSA-N 1 1 423.395 4.186 20 30 HIEDMO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cc(F)cc(C#N)c1 ZINC000552290111 941623368 /nfs/dbraw/zinc/62/33/68/941623368.db2.gz ZFKUEACBJDGRFU-SANMLTNESA-N 1 1 419.544 4.490 20 30 HIEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000553161198 941842606 /nfs/dbraw/zinc/84/26/06/941842606.db2.gz DEAFNKRJSQYTDN-GFCCVEGCSA-N 1 1 402.445 4.468 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000553230776 941853373 /nfs/dbraw/zinc/85/33/73/941853373.db2.gz AUYGOAGSRPJZHC-CALCHBBNSA-N 1 1 408.427 4.092 20 30 HIEDMO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@H+](C2CCC2)C1 ZINC000553518487 941901256 /nfs/dbraw/zinc/90/12/56/941901256.db2.gz FKDMGNDICNMNTJ-IBGZPJMESA-N 1 1 403.526 4.084 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1Cl ZINC000557224222 943056039 /nfs/dbraw/zinc/05/60/39/943056039.db2.gz FOKVDRSLPYTORC-QHCPKHFHSA-N 1 1 404.901 4.447 20 30 HIEDMO C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557448908 943132900 /nfs/dbraw/zinc/13/29/00/943132900.db2.gz PLSJMIBEBKHTNJ-DEOSSOPVSA-N 1 1 414.553 4.376 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000557607462 943229476 /nfs/dbraw/zinc/22/94/76/943229476.db2.gz LDERHBHVKROTMF-NHCUHLMSSA-N 1 1 424.589 4.292 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000558454828 943564607 /nfs/dbraw/zinc/56/46/07/943564607.db2.gz ONBNUACJIVRRJX-FQEVSTJZSA-N 1 1 412.541 4.104 20 30 HIEDMO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891607 944078027 /nfs/dbraw/zinc/07/80/27/944078027.db2.gz DGSWRXPTJVXAQG-XXBNENTESA-N 1 1 407.533 4.277 20 30 HIEDMO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891607 944078033 /nfs/dbraw/zinc/07/80/33/944078033.db2.gz DGSWRXPTJVXAQG-XXBNENTESA-N 1 1 407.533 4.277 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976857 944107190 /nfs/dbraw/zinc/10/71/90/944107190.db2.gz QROUKDZRHZJNEP-INIZCTEOSA-N 1 1 408.571 4.025 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000560572769 944259153 /nfs/dbraw/zinc/25/91/53/944259153.db2.gz VFVKJLZQJKGCOY-GOSISDBHSA-N 1 1 422.344 4.022 20 30 HIEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000560617766 944275648 /nfs/dbraw/zinc/27/56/48/944275648.db2.gz PWFQUROCIXKRKZ-SFHVURJKSA-N 1 1 423.467 4.024 20 30 HIEDMO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000561057463 944420087 /nfs/dbraw/zinc/42/00/87/944420087.db2.gz SVBVLHHIGHUYCW-MSOLQXFVSA-N 1 1 416.997 4.055 20 30 HIEDMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000561629653 944716469 /nfs/dbraw/zinc/71/64/69/944716469.db2.gz VKTGZMVTHBZRLD-UHFFFAOYSA-N 1 1 417.465 4.043 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000562050118 944912473 /nfs/dbraw/zinc/91/24/73/944912473.db2.gz VMOFXTUJAAUUCC-IBGZPJMESA-N 1 1 409.338 4.380 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243394 945039029 /nfs/dbraw/zinc/03/90/29/945039029.db2.gz IXPDVPMEOWNGCL-PZJWPPBQSA-N 1 1 423.532 4.424 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000570220995 947148195 /nfs/dbraw/zinc/14/81/95/947148195.db2.gz YQMIAQNWCICLBG-QUCCMNQESA-N 1 1 407.533 4.392 20 30 HIEDMO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(Cl)c1OC ZINC000571153705 947531447 /nfs/dbraw/zinc/53/14/47/947531447.db2.gz QNORBXBBWQTZLQ-UHFFFAOYSA-N 1 1 404.869 4.411 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)cc1 ZINC000572067239 947837961 /nfs/dbraw/zinc/83/79/61/947837961.db2.gz IWNGVMIAODZHGQ-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1C#N ZINC000572736140 947994133 /nfs/dbraw/zinc/99/41/33/947994133.db2.gz WBPZCBOTWKKGAQ-SFTDATJTSA-N 1 1 408.546 4.457 20 30 HIEDMO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000573047549 948069629 /nfs/dbraw/zinc/06/96/29/948069629.db2.gz QBYSFYGEVMEWDR-NFBKMPQASA-N 1 1 416.573 4.112 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000573140640 948086282 /nfs/dbraw/zinc/08/62/82/948086282.db2.gz YRCLJOLKXYNVRB-NRFANRHFSA-N 1 1 404.432 4.417 20 30 HIEDMO C[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@H+](C2CCC2)C1 ZINC000573450560 948205589 /nfs/dbraw/zinc/20/55/89/948205589.db2.gz VRKWCXKUXCNPOK-LJQANCHMSA-N 1 1 403.526 4.084 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000574559485 948473731 /nfs/dbraw/zinc/47/37/31/948473731.db2.gz XPTGTNFKYNSRKE-VQIMIIECSA-N 1 1 411.477 4.003 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000574608238 948490631 /nfs/dbraw/zinc/49/06/31/948490631.db2.gz PNBJORNPOYBYTE-LJQANCHMSA-N 1 1 409.338 4.380 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000574698724 948505952 /nfs/dbraw/zinc/50/59/52/948505952.db2.gz YKKWNDHPNPMYPF-SFHVURJKSA-N 1 1 413.541 4.198 20 30 HIEDMO COC(=O)c1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C#N ZINC000574995339 948570193 /nfs/dbraw/zinc/57/01/93/948570193.db2.gz NWWQGLNXZYUBSO-UHFFFAOYSA-N 1 1 418.415 4.159 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575028910 948577403 /nfs/dbraw/zinc/57/74/03/948577403.db2.gz SNYRDHVBCKVLAJ-HOKHCIIBSA-N 1 1 421.589 4.054 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000575216895 948634189 /nfs/dbraw/zinc/63/41/89/948634189.db2.gz TVQBTBYRMUESOF-UHFFFAOYSA-N 1 1 418.291 4.374 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(Br)c(C#N)cc3F)CC2)cc1 ZINC000575365218 948655240 /nfs/dbraw/zinc/65/52/40/948655240.db2.gz PYEFQIBVSHXWOO-UHFFFAOYSA-N 1 1 413.294 4.044 20 30 HIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626627 719071417 /nfs/dbraw/zinc/07/14/17/719071417.db2.gz OVIVXCRGUNDGSM-QFBILLFUSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629906 719080379 /nfs/dbraw/zinc/08/03/79/719080379.db2.gz ZVNQEGFZFGKJBN-ZWKOTPCHSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722110 720335480 /nfs/dbraw/zinc/33/54/80/720335480.db2.gz FBBOCRZIRDAVQN-HZPDHXFCSA-N 1 1 424.282 4.053 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722110 720335486 /nfs/dbraw/zinc/33/54/86/720335486.db2.gz FBBOCRZIRDAVQN-HZPDHXFCSA-N 1 1 424.282 4.053 20 30 HIEDMO Cc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(C#C[Si](C)(C)C)c1 ZINC001164858956 720986504 /nfs/dbraw/zinc/98/65/04/720986504.db2.gz JOMUPSXPSBPWRQ-IBGZPJMESA-N 1 1 409.654 4.237 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@H]21 ZINC001165028188 721822717 /nfs/dbraw/zinc/82/27/17/721822717.db2.gz UVNMFYWHZYUFJH-QQKQFIJSSA-N 1 1 424.552 4.147 20 30 HIEDMO N#Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)cc1Cl ZINC001164958928 722023944 /nfs/dbraw/zinc/02/39/44/722023944.db2.gz GVYJTHHUDFRDFP-UHFFFAOYSA-N 1 1 402.329 4.148 20 30 HIEDMO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164961294 722024615 /nfs/dbraw/zinc/02/46/15/722024615.db2.gz MNVMQOMRZBGKQD-UHFFFAOYSA-N 1 1 404.634 4.198 20 30 HIEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855840 845986282 /nfs/dbraw/zinc/98/62/82/845986282.db2.gz ZDRQZTNVCNNTOC-QGZVFWFLSA-N 1 1 405.523 4.066 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000436332665 861637953 /nfs/dbraw/zinc/63/79/53/861637953.db2.gz PLLQEKCDZCJDJX-QPTUXGOLSA-N 1 1 405.517 4.336 20 30 HIEDMO C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@@H+](CC)C3 ZINC000019394201 846365497 /nfs/dbraw/zinc/36/54/97/846365497.db2.gz PMNBKJSHGMYLIS-UHFFFAOYSA-N 1 1 413.568 4.112 20 30 HIEDMO C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@H+](CC)C3 ZINC000019394201 846365500 /nfs/dbraw/zinc/36/55/00/846365500.db2.gz PMNBKJSHGMYLIS-UHFFFAOYSA-N 1 1 413.568 4.112 20 30 HIEDMO CC(C)c1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000022850489 846628815 /nfs/dbraw/zinc/62/88/15/846628815.db2.gz MZCZGMZAFWTLPS-UHFFFAOYSA-N 1 1 415.541 4.440 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000023192534 846667220 /nfs/dbraw/zinc/66/72/20/846667220.db2.gz DLPMFQQPHSDYRC-LJQANCHMSA-N 1 1 414.962 4.239 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 ZINC000023753358 846745581 /nfs/dbraw/zinc/74/55/81/846745581.db2.gz CRBGDZFBPGEEGP-UHFFFAOYSA-N 1 1 406.288 4.352 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 ZINC000023753358 846745586 /nfs/dbraw/zinc/74/55/86/846745586.db2.gz CRBGDZFBPGEEGP-UHFFFAOYSA-N 1 1 406.288 4.352 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000023753389 846745668 /nfs/dbraw/zinc/74/56/68/846745668.db2.gz WYHVQXKGAYRWGI-UHFFFAOYSA-N 1 1 422.579 4.020 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000023753389 846745677 /nfs/dbraw/zinc/74/56/77/846745677.db2.gz WYHVQXKGAYRWGI-UHFFFAOYSA-N 1 1 422.579 4.020 20 30 HIEDMO CC(C)CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752648 846746106 /nfs/dbraw/zinc/74/61/06/846746106.db2.gz KNQFYUNYCSQAOO-UHFFFAOYSA-N 1 1 405.542 4.331 20 30 HIEDMO CC(C)CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752648 846746114 /nfs/dbraw/zinc/74/61/14/846746114.db2.gz KNQFYUNYCSQAOO-UHFFFAOYSA-N 1 1 405.542 4.331 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Br)cc1 ZINC000023819519 846752115 /nfs/dbraw/zinc/75/21/15/846752115.db2.gz BOHQQRPSHFOSMI-UHFFFAOYSA-N 1 1 404.333 4.135 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Br)cc1 ZINC000023819519 846752119 /nfs/dbraw/zinc/75/21/19/846752119.db2.gz BOHQQRPSHFOSMI-UHFFFAOYSA-N 1 1 404.333 4.135 20 30 HIEDMO CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000026330588 847126324 /nfs/dbraw/zinc/12/63/24/847126324.db2.gz OAXZFFOFRZNRMS-RUZDIDTESA-N 1 1 401.485 4.377 20 30 HIEDMO CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000026330588 847126327 /nfs/dbraw/zinc/12/63/27/847126327.db2.gz OAXZFFOFRZNRMS-RUZDIDTESA-N 1 1 401.485 4.377 20 30 HIEDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026454491 847153809 /nfs/dbraw/zinc/15/38/09/847153809.db2.gz PSGVRPUGJOWUER-CQSZACIVSA-N 1 1 403.429 4.017 20 30 HIEDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026454491 847153816 /nfs/dbraw/zinc/15/38/16/847153816.db2.gz PSGVRPUGJOWUER-CQSZACIVSA-N 1 1 403.429 4.017 20 30 HIEDMO CCOC(=O)Cc1csc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000026898253 847218696 /nfs/dbraw/zinc/21/86/96/847218696.db2.gz SUSHKXWIIXACDV-UHFFFAOYSA-N 1 1 409.511 4.216 20 30 HIEDMO Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208197 847266228 /nfs/dbraw/zinc/26/62/28/847266228.db2.gz RJDCVFAVPSKWOV-UIOOFZCWSA-N 1 1 400.522 4.466 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028154761 847389692 /nfs/dbraw/zinc/38/96/92/847389692.db2.gz SOVHNSKXXKGESD-UHFFFAOYSA-N 1 1 404.341 4.452 20 30 HIEDMO N#Cc1ccnc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)c1 ZINC000029446788 847565601 /nfs/dbraw/zinc/56/56/01/847565601.db2.gz SMJYSLJNHZBYDO-UHFFFAOYSA-N 1 1 420.520 4.128 20 30 HIEDMO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029980550 847662944 /nfs/dbraw/zinc/66/29/44/847662944.db2.gz WIHJXGVRDQEEAR-UHFFFAOYSA-N 1 1 412.537 4.000 20 30 HIEDMO Cc1cc(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C(C)C ZINC000029984102 847664243 /nfs/dbraw/zinc/66/42/43/847664243.db2.gz BMIJXMDEWYWCDH-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO Cc1cc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C(C)C ZINC000029984102 847664250 /nfs/dbraw/zinc/66/42/50/847664250.db2.gz BMIJXMDEWYWCDH-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1C#N ZINC000045548420 848691292 /nfs/dbraw/zinc/69/12/92/848691292.db2.gz LHMPMGOTUWMHHH-UHFFFAOYSA-N 1 1 416.525 4.436 20 30 HIEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046529077 848867752 /nfs/dbraw/zinc/86/77/52/848867752.db2.gz ZLCOVWMMOSKWHK-UHFFFAOYSA-N 1 1 415.472 4.047 20 30 HIEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046529077 848867759 /nfs/dbraw/zinc/86/77/59/848867759.db2.gz ZLCOVWMMOSKWHK-UHFFFAOYSA-N 1 1 415.472 4.047 20 30 HIEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045860 849544968 /nfs/dbraw/zinc/54/49/68/849544968.db2.gz JZSBKPAFFRMBJS-IBGZPJMESA-N 1 1 404.432 4.176 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000054227777 849830074 /nfs/dbraw/zinc/83/00/74/849830074.db2.gz LAHJADRSCVDCKA-RXVVDRJESA-N 1 1 415.493 4.296 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000055877738 850190875 /nfs/dbraw/zinc/19/08/75/850190875.db2.gz HLCJGLCOAYCSEG-NRFANRHFSA-N 1 1 402.325 4.481 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000056900971 850513166 /nfs/dbraw/zinc/51/31/66/850513166.db2.gz BDRRWNJZCVQFOC-JOCHJYFZSA-N 1 1 408.933 4.116 20 30 HIEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000057597879 850678280 /nfs/dbraw/zinc/67/82/80/850678280.db2.gz IUGZJDULEXPRSX-UHFFFAOYSA-N 1 1 405.420 4.305 20 30 HIEDMO COc1ccc(C2(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)cc1 ZINC000058789453 850927722 /nfs/dbraw/zinc/92/77/22/850927722.db2.gz FVRJZMGWPHINQJ-UHFFFAOYSA-N 1 1 417.553 4.113 20 30 HIEDMO COc1ccc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)cc1 ZINC000058789453 850927726 /nfs/dbraw/zinc/92/77/26/850927726.db2.gz FVRJZMGWPHINQJ-UHFFFAOYSA-N 1 1 417.553 4.113 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000059994461 851029912 /nfs/dbraw/zinc/02/99/12/851029912.db2.gz FCXXJNSMUMNVNB-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000059994461 851029924 /nfs/dbraw/zinc/02/99/24/851029924.db2.gz FCXXJNSMUMNVNB-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000061624059 851415956 /nfs/dbraw/zinc/41/59/56/851415956.db2.gz PVWZEJDGCXUJQA-UHFFFAOYSA-N 1 1 412.449 4.154 20 30 HIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751313 851754045 /nfs/dbraw/zinc/75/40/45/851754045.db2.gz LYZVNQMZDWKMOT-UHFFFAOYSA-N 1 1 401.514 4.210 20 30 HIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751313 851754058 /nfs/dbraw/zinc/75/40/58/851754058.db2.gz LYZVNQMZDWKMOT-UHFFFAOYSA-N 1 1 401.514 4.210 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000065959414 852332191 /nfs/dbraw/zinc/33/21/91/852332191.db2.gz SCEBWDZIDHQLMN-UHFFFAOYSA-N 1 1 407.377 4.200 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000065959414 852332204 /nfs/dbraw/zinc/33/22/04/852332204.db2.gz SCEBWDZIDHQLMN-UHFFFAOYSA-N 1 1 407.377 4.200 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21 ZINC000096967554 852564267 /nfs/dbraw/zinc/56/42/67/852564267.db2.gz VTCKEMYZPRMCEC-FQEVSTJZSA-N 1 1 417.509 4.124 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21 ZINC000096967554 852564278 /nfs/dbraw/zinc/56/42/78/852564278.db2.gz VTCKEMYZPRMCEC-FQEVSTJZSA-N 1 1 417.509 4.124 20 30 HIEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000110451892 853101192 /nfs/dbraw/zinc/10/11/92/853101192.db2.gz LUFNODCJEJCMPW-BGYRXZFFSA-N 1 1 417.553 4.187 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000111018976 853188109 /nfs/dbraw/zinc/18/81/09/853188109.db2.gz UMAXSHCFFMWTFT-FQEVSTJZSA-N 1 1 409.505 4.383 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)N(CCC#N)c1ccccc1 ZINC000111040867 853192375 /nfs/dbraw/zinc/19/23/75/853192375.db2.gz VYKCMIUGXGCBMZ-UHFFFAOYSA-N 1 1 419.504 4.027 20 30 HIEDMO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000139753910 853421551 /nfs/dbraw/zinc/42/15/51/853421551.db2.gz LRHBHWXHMDCGLP-AWEZNQCLSA-N 1 1 414.412 4.291 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000139937002 853426793 /nfs/dbraw/zinc/42/67/93/853426793.db2.gz ZYEZDMCRMYEKKG-XMSQKQJNSA-N 1 1 411.571 4.052 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000139936572 853427218 /nfs/dbraw/zinc/42/72/18/853427218.db2.gz ZYEZDMCRMYEKKG-AVRDEDQJSA-N 1 1 411.571 4.052 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3cccc3[C@H]1c1ccccc1)CCC2 ZINC000164573904 853648674 /nfs/dbraw/zinc/64/86/74/853648674.db2.gz YBEHTDHQNCHHIF-HSZRJFAPSA-N 1 1 416.550 4.344 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3cccc3[C@H]1c1ccccc1)CCC2 ZINC000164573904 853648682 /nfs/dbraw/zinc/64/86/82/853648682.db2.gz YBEHTDHQNCHHIF-HSZRJFAPSA-N 1 1 416.550 4.344 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CCCCC2)cc1OC ZINC000215664735 853835386 /nfs/dbraw/zinc/83/53/86/853835386.db2.gz YDLMLPSYIDXMAK-UHFFFAOYSA-N 1 1 413.562 4.181 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2cc(Br)c(OC(F)F)c(OC)c2)CC1 ZINC000237112822 853966316 /nfs/dbraw/zinc/96/63/16/853966316.db2.gz RARURNYBMKJLQI-UHFFFAOYSA-N 1 1 419.310 4.189 20 30 HIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237645053 854067002 /nfs/dbraw/zinc/06/70/02/854067002.db2.gz NOKLRRAJUSKZOI-VWLOTQADSA-N 1 1 419.546 4.290 20 30 HIEDMO N#Cc1ccccc1COc1cccc(CNCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000237837734 854106639 /nfs/dbraw/zinc/10/66/39/854106639.db2.gz MGRSJHOHFGANLG-UHFFFAOYSA-N 1 1 419.569 4.262 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237894844 854116038 /nfs/dbraw/zinc/11/60/38/854116038.db2.gz MDNIPPDHVZEQAS-DEOSSOPVSA-N 1 1 404.535 4.458 20 30 HIEDMO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261396550 854247174 /nfs/dbraw/zinc/24/71/74/854247174.db2.gz SMHBMKNAZIVPAH-UTKZUKDTSA-N 1 1 410.949 4.308 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000301063569 854284609 /nfs/dbraw/zinc/28/46/09/854284609.db2.gz BOZDYPHINGGUST-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO C[C@H]1C[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301529503 854413297 /nfs/dbraw/zinc/41/32/97/854413297.db2.gz JGMQDPPZPVHLRT-LPHOPBHVSA-N 1 1 401.470 4.480 20 30 HIEDMO CC(C)(C)Oc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301885489 854484063 /nfs/dbraw/zinc/48/40/63/854484063.db2.gz OSVNBQABDMDEAC-UHFFFAOYSA-N 1 1 408.502 4.356 20 30 HIEDMO COc1cccc([C@H]2[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000302050686 854522386 /nfs/dbraw/zinc/52/23/86/854522386.db2.gz ORCLPGZQDRXADM-HKUYNNGSSA-N 1 1 402.420 4.371 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000302811570 854642643 /nfs/dbraw/zinc/64/26/43/854642643.db2.gz WWWWHIFXGBVRHR-UHFFFAOYSA-N 1 1 414.509 4.088 20 30 HIEDMO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302872883 854663369 /nfs/dbraw/zinc/66/33/69/854663369.db2.gz COLVNTMJWIKYGM-HXUWFJFHSA-N 1 1 406.917 4.329 20 30 HIEDMO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000303379778 854900948 /nfs/dbraw/zinc/90/09/48/854900948.db2.gz VNAVMNYOCDOZRJ-OAQYLSRUSA-N 1 1 404.558 4.024 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303619482 855081825 /nfs/dbraw/zinc/08/18/25/855081825.db2.gz PJIPKCUQGOTKEZ-SQNIBIBYSA-N 1 1 402.970 4.125 20 30 HIEDMO N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728700 855623642 /nfs/dbraw/zinc/62/36/42/855623642.db2.gz QCGNGRGFTOCVEF-PXNSSMCTSA-N 1 1 400.448 4.463 20 30 HIEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000437385597 862702734 /nfs/dbraw/zinc/70/27/34/862702734.db2.gz MPYVUMNPRVYXHB-UHFFFAOYSA-N 1 1 417.513 4.391 20 30 HIEDMO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000426143120 856136929 /nfs/dbraw/zinc/13/69/29/856136929.db2.gz YBDSHRRDFVNABO-UHFFFAOYSA-N 1 1 404.848 4.276 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000426377233 856265364 /nfs/dbraw/zinc/26/53/64/856265364.db2.gz HOHDYEHEYFXRMW-UHFFFAOYSA-N 1 1 409.349 4.188 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+]C[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000427817112 856968406 /nfs/dbraw/zinc/96/84/06/856968406.db2.gz LANVZZBJLXVHHZ-GOTSBHOMSA-N 1 1 419.912 4.286 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c1C#N ZINC000437509334 862858824 /nfs/dbraw/zinc/85/88/24/862858824.db2.gz VHBRPZXTKKZWFW-UHFFFAOYSA-N 1 1 422.451 4.221 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c1C#N ZINC000437509334 862858826 /nfs/dbraw/zinc/85/88/26/862858826.db2.gz VHBRPZXTKKZWFW-UHFFFAOYSA-N 1 1 422.451 4.221 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428258088 857129778 /nfs/dbraw/zinc/12/97/78/857129778.db2.gz DGJATRNFAJOECV-XXBNENTESA-N 1 1 422.598 4.144 20 30 HIEDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000428479842 857217425 /nfs/dbraw/zinc/21/74/25/857217425.db2.gz KVSUROVGFKSLHH-JTQLQIEISA-N 1 1 422.291 4.225 20 30 HIEDMO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000428479842 857217434 /nfs/dbraw/zinc/21/74/34/857217434.db2.gz KVSUROVGFKSLHH-JTQLQIEISA-N 1 1 422.291 4.225 20 30 HIEDMO C[C@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000428614234 857278410 /nfs/dbraw/zinc/27/84/10/857278410.db2.gz GADKYKVSJULXJU-HXUWFJFHSA-N 1 1 415.541 4.104 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786394 857338761 /nfs/dbraw/zinc/33/87/61/857338761.db2.gz ICXKHJGRUKWDGM-GMAHTHKFSA-N 1 1 423.476 4.246 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786394 857338767 /nfs/dbraw/zinc/33/87/67/857338767.db2.gz ICXKHJGRUKWDGM-GMAHTHKFSA-N 1 1 423.476 4.246 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789600 857340384 /nfs/dbraw/zinc/34/03/84/857340384.db2.gz AHDKLXAVGQNBAB-WIYYLYMNSA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789600 857340399 /nfs/dbraw/zinc/34/03/99/857340399.db2.gz AHDKLXAVGQNBAB-WIYYLYMNSA-N 1 1 412.493 4.101 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428877334 857383108 /nfs/dbraw/zinc/38/31/08/857383108.db2.gz AHVZTASQNGFXCD-HXUWFJFHSA-N 1 1 410.562 4.423 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935119 857425031 /nfs/dbraw/zinc/42/50/31/857425031.db2.gz YNRSAZGNFAVNTE-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935119 857425037 /nfs/dbraw/zinc/42/50/37/857425037.db2.gz YNRSAZGNFAVNTE-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1Cl ZINC000429733038 857856091 /nfs/dbraw/zinc/85/60/91/857856091.db2.gz AQZHFHHIJCJKDY-OAQYLSRUSA-N 1 1 421.932 4.150 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429759174 857875424 /nfs/dbraw/zinc/87/54/24/857875424.db2.gz SQYJJOIZZBLHTR-HSZRJFAPSA-N 1 1 409.530 4.054 20 30 HIEDMO C=CCn1c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114262 858038223 /nfs/dbraw/zinc/03/82/23/858038223.db2.gz BXZZCSPKEVCGCW-LJQANCHMSA-N 1 1 410.543 4.107 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182735 858070595 /nfs/dbraw/zinc/07/05/95/858070595.db2.gz ZFXLZRMTSVGOCE-GOSISDBHSA-N 1 1 413.403 4.015 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nc1 ZINC000430186159 858072258 /nfs/dbraw/zinc/07/22/58/858072258.db2.gz KESHMRAGKXTJNE-KRWDZBQOSA-N 1 1 402.479 4.476 20 30 HIEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c(C)c1C ZINC000430669628 858260422 /nfs/dbraw/zinc/26/04/22/858260422.db2.gz RNULXMQQRMNQLS-KKSFZXQISA-N 1 1 422.598 4.140 20 30 HIEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000431304028 858555095 /nfs/dbraw/zinc/55/50/95/858555095.db2.gz CVJOWPCKGUHUJO-HJOGWXRNSA-N 1 1 420.557 4.183 20 30 HIEDMO CC[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000431304028 858555101 /nfs/dbraw/zinc/55/51/01/858555101.db2.gz CVJOWPCKGUHUJO-HJOGWXRNSA-N 1 1 420.557 4.183 20 30 HIEDMO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)co2)cc1 ZINC000433025660 859486894 /nfs/dbraw/zinc/48/68/94/859486894.db2.gz AGPFWOVZRJMRET-NRFANRHFSA-N 1 1 409.511 4.270 20 30 HIEDMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000433030003 859489726 /nfs/dbraw/zinc/48/97/26/859489726.db2.gz UWHVWJWNJLLZJM-VWLOTQADSA-N 1 1 418.585 4.054 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433319640 859637653 /nfs/dbraw/zinc/63/76/53/859637653.db2.gz PDBDSZNJTOLTGV-MJGOQNOKSA-N 1 1 411.933 4.473 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433319640 859637660 /nfs/dbraw/zinc/63/76/60/859637660.db2.gz PDBDSZNJTOLTGV-MJGOQNOKSA-N 1 1 411.933 4.473 20 30 HIEDMO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337453 859651943 /nfs/dbraw/zinc/65/19/43/859651943.db2.gz ZACMTZKXLYUWKM-FQEVSTJZSA-N 1 1 414.557 4.174 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700943 859843557 /nfs/dbraw/zinc/84/35/57/859843557.db2.gz YGPNCYYEHZJYLF-RPWUZVMVSA-N 1 1 415.468 4.190 20 30 HIEDMO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000434871030 860529409 /nfs/dbraw/zinc/52/94/09/860529409.db2.gz UVAZZMRFRNITBQ-YDIMBITNSA-N 1 1 405.542 4.040 20 30 HIEDMO C=CCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000435097952 860641260 /nfs/dbraw/zinc/64/12/60/860641260.db2.gz WAXKZKCAOKIYKY-XMMPIXPASA-N 1 1 402.542 4.483 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000435135218 860658164 /nfs/dbraw/zinc/65/81/64/860658164.db2.gz NFXHOLFXYYSXSQ-LJQANCHMSA-N 1 1 407.905 4.165 20 30 HIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435135854 860658333 /nfs/dbraw/zinc/65/83/33/860658333.db2.gz VRFUSMVKKDWXIS-JOCHJYFZSA-N 1 1 417.513 4.213 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000437842420 863199280 /nfs/dbraw/zinc/19/92/80/863199280.db2.gz YFXPZUXLZGFHDJ-OAQYLSRUSA-N 1 1 416.525 4.264 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988467 863351908 /nfs/dbraw/zinc/35/19/08/863351908.db2.gz RMQKWTMYIQJBHW-WBVHZDCISA-N 1 1 406.477 4.278 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cc2)c1 ZINC000438058145 863429586 /nfs/dbraw/zinc/42/95/86/863429586.db2.gz CAPYMAYLSBGZGR-NRFANRHFSA-N 1 1 420.513 4.069 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445964 863871588 /nfs/dbraw/zinc/87/15/88/863871588.db2.gz DKROZNZHFHAUHC-DQEYMECFSA-N 1 1 421.585 4.311 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccncc2OC)cc1OC ZINC000438471114 863890939 /nfs/dbraw/zinc/89/09/39/863890939.db2.gz RFQDFUSSRSBYFM-ZDUSSCGKSA-N 1 1 407.308 4.277 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1C#N ZINC000438503866 863926331 /nfs/dbraw/zinc/92/63/31/863926331.db2.gz GVEFQXQUKNFHSR-VWLOTQADSA-N 1 1 416.525 4.220 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1C#N ZINC000438503866 863926348 /nfs/dbraw/zinc/92/63/48/863926348.db2.gz GVEFQXQUKNFHSR-VWLOTQADSA-N 1 1 416.525 4.220 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1 ZINC000438570439 864003995 /nfs/dbraw/zinc/00/39/95/864003995.db2.gz VZLCCYCCKHQDLO-UHFFFAOYSA-N 1 1 416.447 4.403 20 30 HIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000438720273 864202411 /nfs/dbraw/zinc/20/24/11/864202411.db2.gz XCSFFIGXKUIJEN-INIZCTEOSA-N 1 1 402.395 4.118 20 30 HIEDMO N#CCC[C@H](NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000438859341 864352889 /nfs/dbraw/zinc/35/28/89/864352889.db2.gz BXWALLBQEJANKU-DEOSSOPVSA-N 1 1 404.558 4.382 20 30 HIEDMO Cc1ccc(C(=O)NC2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000439142321 864575647 /nfs/dbraw/zinc/57/56/47/864575647.db2.gz VPZDNYYTCUVIQV-UHFFFAOYSA-N 1 1 422.472 4.201 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439321500 864757277 /nfs/dbraw/zinc/75/72/77/864757277.db2.gz CNHKELOTFFMTLJ-PGRDOPGGSA-N 1 1 422.573 4.220 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439321500 864757310 /nfs/dbraw/zinc/75/73/10/864757310.db2.gz CNHKELOTFFMTLJ-PGRDOPGGSA-N 1 1 422.573 4.220 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 ZINC000439428793 864829217 /nfs/dbraw/zinc/82/92/17/864829217.db2.gz COIGNCUFJMVBOX-GOSISDBHSA-N 1 1 411.937 4.443 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 ZINC000439428793 864829220 /nfs/dbraw/zinc/82/92/20/864829220.db2.gz COIGNCUFJMVBOX-GOSISDBHSA-N 1 1 411.937 4.443 20 30 HIEDMO N#Cc1ccsc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426444 865725269 /nfs/dbraw/zinc/72/52/69/865725269.db2.gz BTJVPPOVJJWQRJ-INIZCTEOSA-N 1 1 407.461 4.146 20 30 HIEDMO N#CCc1cccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440435323 865736961 /nfs/dbraw/zinc/73/69/61/865736961.db2.gz ROKMOKBSEOLXBM-FQEVSTJZSA-N 1 1 415.459 4.279 20 30 HIEDMO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440437271 865739819 /nfs/dbraw/zinc/73/98/19/865739819.db2.gz HMPDUPYTHUMZQM-LJQANCHMSA-N 1 1 401.432 4.085 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000440543402 865812440 /nfs/dbraw/zinc/81/24/40/865812440.db2.gz MOFPXBWXVZDWFX-DHLKQENFSA-N 1 1 419.569 4.332 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000440982329 866064210 /nfs/dbraw/zinc/06/42/10/866064210.db2.gz APBFOCLCNQCUMS-XXZMUIKMSA-N 1 1 404.505 4.118 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000440982329 866064226 /nfs/dbraw/zinc/06/42/26/866064226.db2.gz APBFOCLCNQCUMS-XXZMUIKMSA-N 1 1 404.505 4.118 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 ZINC000441102287 866199538 /nfs/dbraw/zinc/19/95/38/866199538.db2.gz HTEBOEBMQGPMAQ-CQSZACIVSA-N 1 1 419.432 4.463 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 ZINC000441102287 866199547 /nfs/dbraw/zinc/19/95/47/866199547.db2.gz HTEBOEBMQGPMAQ-CQSZACIVSA-N 1 1 419.432 4.463 20 30 HIEDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441232714 866308442 /nfs/dbraw/zinc/30/84/42/866308442.db2.gz YTCOPNNFULZGEU-HZPDHXFCSA-N 1 1 410.905 4.076 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[N@@H+]1C ZINC000441357420 866426969 /nfs/dbraw/zinc/42/69/69/866426969.db2.gz NQEUXSGWZBIXHZ-QGZVFWFLSA-N 1 1 402.608 4.023 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[N@H+]1C ZINC000441357420 866426973 /nfs/dbraw/zinc/42/69/73/866426973.db2.gz NQEUXSGWZBIXHZ-QGZVFWFLSA-N 1 1 402.608 4.023 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000441469202 866546282 /nfs/dbraw/zinc/54/62/82/866546282.db2.gz DGCKLWXFLNVCIN-XMMPIXPASA-N 1 1 420.557 4.235 20 30 HIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000441480487 866559507 /nfs/dbraw/zinc/55/95/07/866559507.db2.gz YAFJZRHKQYKAPI-QFIPXVFZSA-N 1 1 410.949 4.490 20 30 HIEDMO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000441548322 866624902 /nfs/dbraw/zinc/62/49/02/866624902.db2.gz YVMKQJJHNUIYOE-AVRDEDQJSA-N 1 1 401.514 4.266 20 30 HIEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442893615 867725640 /nfs/dbraw/zinc/72/56/40/867725640.db2.gz TVROYWZFIRCNDZ-INIZCTEOSA-N 1 1 413.381 4.086 20 30 HIEDMO N#Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C(F)(F)F ZINC000443507111 868073337 /nfs/dbraw/zinc/07/33/37/868073337.db2.gz FLXKEYQGEBNPIC-NRFANRHFSA-N 1 1 400.448 4.465 20 30 HIEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000443661038 868266855 /nfs/dbraw/zinc/26/68/55/868266855.db2.gz ZZGUNGFSLPRCGQ-BGYRXZFFSA-N 1 1 421.541 4.164 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCCCC2 ZINC000444168495 868646254 /nfs/dbraw/zinc/64/62/54/868646254.db2.gz IALHLZJUAPQWFC-LJQANCHMSA-N 1 1 423.582 4.366 20 30 HIEDMO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCCCC2 ZINC000444168495 868646262 /nfs/dbraw/zinc/64/62/62/868646262.db2.gz IALHLZJUAPQWFC-LJQANCHMSA-N 1 1 423.582 4.366 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c2ccccc21 ZINC000444169978 868647437 /nfs/dbraw/zinc/64/74/37/868647437.db2.gz SHYGVHNAYDTGRE-OAQYLSRUSA-N 1 1 401.510 4.276 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)sc2c1CCCC2 ZINC000444211800 868668369 /nfs/dbraw/zinc/66/83/69/868668369.db2.gz ISOZQHFHHCPMHZ-KRWDZBQOSA-N 1 1 401.576 4.251 20 30 HIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444233983 868683212 /nfs/dbraw/zinc/68/32/12/868683212.db2.gz CBBWBAJAENXUMA-ZWKOTPCHSA-N 1 1 411.571 4.448 20 30 HIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)NCc1cccs1 ZINC000444646673 868929128 /nfs/dbraw/zinc/92/91/28/868929128.db2.gz FJYHBPGSXHFEII-UHFFFAOYSA-N 1 1 403.551 4.196 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)NCc1cccs1 ZINC000444646673 868929139 /nfs/dbraw/zinc/92/91/39/868929139.db2.gz FJYHBPGSXHFEII-UHFFFAOYSA-N 1 1 403.551 4.196 20 30 HIEDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667203 868946400 /nfs/dbraw/zinc/94/64/00/868946400.db2.gz SIHSNEZJBQZKBP-DSITVLBTSA-N 1 1 403.570 4.070 20 30 HIEDMO CS[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000444684877 868958380 /nfs/dbraw/zinc/95/83/80/868958380.db2.gz LYXJMAZDKDLXAB-BJKOFHAPSA-N 1 1 405.611 4.398 20 30 HIEDMO CS[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000444684877 868958388 /nfs/dbraw/zinc/95/83/88/868958388.db2.gz LYXJMAZDKDLXAB-BJKOFHAPSA-N 1 1 405.611 4.398 20 30 HIEDMO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3Br)CCOCC2)cc1F ZINC000444812951 869024485 /nfs/dbraw/zinc/02/44/85/869024485.db2.gz MAHSWEAJMFXKFR-UHFFFAOYSA-N 1 1 419.294 4.264 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445898000 869877082 /nfs/dbraw/zinc/87/70/82/869877082.db2.gz FFPDISBUEZCCGA-SFHVURJKSA-N 1 1 414.303 4.105 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000447730269 871679123 /nfs/dbraw/zinc/67/91/23/871679123.db2.gz QXVMYDKNRHPYSI-CJAUYULYSA-N 1 1 413.452 4.463 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000447730269 871679138 /nfs/dbraw/zinc/67/91/38/871679138.db2.gz QXVMYDKNRHPYSI-CJAUYULYSA-N 1 1 413.452 4.463 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448035860 871868908 /nfs/dbraw/zinc/86/89/08/871868908.db2.gz SWECRYLGBMBNPG-YWZLYKJASA-N 1 1 408.571 4.339 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448035860 871868909 /nfs/dbraw/zinc/86/89/09/871868909.db2.gz SWECRYLGBMBNPG-YWZLYKJASA-N 1 1 408.571 4.339 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460378838 873018938 /nfs/dbraw/zinc/01/89/38/873018938.db2.gz ZVBMJWDGRFFMIY-QUCCMNQESA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460392332 873040295 /nfs/dbraw/zinc/04/02/95/873040295.db2.gz XVJDQJZGRBWPGJ-UHFFFAOYSA-N 1 1 409.578 4.026 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460552835 873264962 /nfs/dbraw/zinc/26/49/62/873264962.db2.gz GWPXOKWWJSYPHW-UHFFFAOYSA-N 1 1 402.546 4.438 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460556454 873275763 /nfs/dbraw/zinc/27/57/63/873275763.db2.gz HHGLUNQHNCUREY-APWZRJJASA-N 1 1 415.969 4.321 20 30 HIEDMO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460784813 873642294 /nfs/dbraw/zinc/64/22/94/873642294.db2.gz TZXHEHHRDZEJKS-UHFFFAOYSA-N 1 1 409.578 4.196 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460791944 873656302 /nfs/dbraw/zinc/65/63/02/873656302.db2.gz HXQOHGXHLIBOQU-CEXWTWQISA-N 1 1 415.557 4.442 20 30 HIEDMO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795067 873664664 /nfs/dbraw/zinc/66/46/64/873664664.db2.gz RKJOOGUDGAUMSS-UHFFFAOYSA-N 1 1 406.578 4.027 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460924045 873828993 /nfs/dbraw/zinc/82/89/93/873828993.db2.gz FOGOGWPNYZDHHJ-TZIWHRDSSA-N 1 1 404.562 4.339 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460953660 873851763 /nfs/dbraw/zinc/85/17/63/873851763.db2.gz ATPBXYFXDDGHSR-MALNDZBISA-N 1 1 423.605 4.408 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461482028 874542419 /nfs/dbraw/zinc/54/24/19/874542419.db2.gz BPRKXYRURUWFEG-LAUBAEHRSA-N 1 1 420.586 4.093 20 30 HIEDMO C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000461581579 874689388 /nfs/dbraw/zinc/68/93/88/874689388.db2.gz HPTIXCCFPZNXLH-LJQANCHMSA-N 1 1 419.525 4.114 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000461732179 874878560 /nfs/dbraw/zinc/87/85/60/874878560.db2.gz YNCVACZRHNZZDD-UHFFFAOYSA-N 1 1 411.505 4.094 20 30 HIEDMO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccc(F)c(F)c2)c1 ZINC000462192681 875297613 /nfs/dbraw/zinc/29/76/13/875297613.db2.gz UDPNYTGJZTUJKF-FGZHOGPDSA-N 1 1 417.525 4.420 20 30 HIEDMO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462246629 875363257 /nfs/dbraw/zinc/36/32/57/875363257.db2.gz LQYRHTGTMWUWCQ-AUSIDOKSSA-N 1 1 413.525 4.252 20 30 HIEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000462413997 875521411 /nfs/dbraw/zinc/52/14/11/875521411.db2.gz YKWCAJZWIWSSQP-YMSRPXOMSA-N 1 1 409.533 4.446 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000462788370 875841443 /nfs/dbraw/zinc/84/14/43/875841443.db2.gz GUVWTOFJPCEDKO-QGZVFWFLSA-N 1 1 415.497 5.001 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248312 876306237 /nfs/dbraw/zinc/30/62/37/876306237.db2.gz SYNOWOZMYNHHSR-FNXXIHLHSA-N 1 1 404.482 4.130 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(-c4cscn4)c3)CC2)cc1 ZINC000463360351 876414733 /nfs/dbraw/zinc/41/47/33/876414733.db2.gz KFAMIJFIVRMSKE-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(-c4cscn4)c3)CC2)cc1 ZINC000463360351 876414738 /nfs/dbraw/zinc/41/47/38/876414738.db2.gz KFAMIJFIVRMSKE-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000463443523 876500554 /nfs/dbraw/zinc/50/05/54/876500554.db2.gz OSTBMEGDPIGLAU-SANMLTNESA-N 1 1 415.537 4.055 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000463443523 876500558 /nfs/dbraw/zinc/50/05/58/876500558.db2.gz OSTBMEGDPIGLAU-SANMLTNESA-N 1 1 415.537 4.055 20 30 HIEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000464326136 877515406 /nfs/dbraw/zinc/51/54/06/877515406.db2.gz DFTFYBKLOKBMOB-IBGZPJMESA-N 1 1 407.489 4.484 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1C ZINC000464331948 877523603 /nfs/dbraw/zinc/52/36/03/877523603.db2.gz JBJAYXFOWCLUAA-JOCHJYFZSA-N 1 1 419.573 4.075 20 30 HIEDMO C=CCc1cc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464954241 878292792 /nfs/dbraw/zinc/29/27/92/878292792.db2.gz XAQFFWIMLLIKKS-OAQYLSRUSA-N 1 1 422.569 4.417 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1C ZINC000465364759 878805257 /nfs/dbraw/zinc/80/52/57/878805257.db2.gz NSGCSMWXEUCPMS-YADHBBJMSA-N 1 1 419.573 4.168 20 30 HIEDMO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466187641 879882456 /nfs/dbraw/zinc/88/24/56/879882456.db2.gz HPKYIDKXUXUDRE-OAQYLSRUSA-N 1 1 404.558 4.024 20 30 HIEDMO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000466606372 880376524 /nfs/dbraw/zinc/37/65/24/880376524.db2.gz HMLHVFPQEWVKCV-FPOVZHCZSA-N 1 1 421.545 4.453 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466628108 880400106 /nfs/dbraw/zinc/40/01/06/880400106.db2.gz OXQKBHFKBWWZMN-LJQANCHMSA-N 1 1 421.545 4.460 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1Cc1ccccc1 ZINC000467043886 880838634 /nfs/dbraw/zinc/83/86/34/880838634.db2.gz HFAQZTSHCNSGIY-GHTZIAJQSA-N 1 1 415.493 4.123 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467052630 880843202 /nfs/dbraw/zinc/84/32/02/880843202.db2.gz ZVTUENVGWNWPAD-UHFFFAOYSA-N 1 1 419.319 4.336 20 30 HIEDMO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467058738 880846120 /nfs/dbraw/zinc/84/61/20/880846120.db2.gz QYZRSNPFMHJJFM-DEOSSOPVSA-N 1 1 422.548 4.182 20 30 HIEDMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281123 881027415 /nfs/dbraw/zinc/02/74/15/881027415.db2.gz UERBTQLTCZSPIM-DLBZAZTESA-N 1 1 403.592 4.354 20 30 HIEDMO Cc1ccc(-c2cncc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)cc1 ZINC000467298652 881046228 /nfs/dbraw/zinc/04/62/28/881046228.db2.gz WDVUMTUPHBLGQY-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO Cc1ccc(-c2cncc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2)cc1 ZINC000467298652 881046245 /nfs/dbraw/zinc/04/62/45/881046245.db2.gz WDVUMTUPHBLGQY-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000469291759 883388618 /nfs/dbraw/zinc/38/86/18/883388618.db2.gz VLLQBUDSUYWQCX-HSZRJFAPSA-N 1 1 402.542 4.346 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000469751356 883912381 /nfs/dbraw/zinc/91/23/81/883912381.db2.gz HSPYJGJLIAHVKC-LLVKDONJSA-N 1 1 422.710 4.272 20 30 HIEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)CCC2 ZINC000470222921 884551163 /nfs/dbraw/zinc/55/11/63/884551163.db2.gz JWMBWXBOABVQRJ-SFHVURJKSA-N 1 1 402.951 4.361 20 30 HIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)CCC2 ZINC000470222921 884551177 /nfs/dbraw/zinc/55/11/77/884551177.db2.gz JWMBWXBOABVQRJ-SFHVURJKSA-N 1 1 402.951 4.361 20 30 HIEDMO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000470363247 884756050 /nfs/dbraw/zinc/75/60/50/884756050.db2.gz HKCYLZBSCQUYPR-QFIPXVFZSA-N 1 1 412.896 4.156 20 30 HIEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000470363247 884756063 /nfs/dbraw/zinc/75/60/63/884756063.db2.gz HKCYLZBSCQUYPR-QFIPXVFZSA-N 1 1 412.896 4.156 20 30 HIEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471381513 886028495 /nfs/dbraw/zinc/02/84/95/886028495.db2.gz LYNAIQXHEXQBNP-ZRZAMGCNSA-N 1 1 407.517 4.429 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000472186009 886986205 /nfs/dbraw/zinc/98/62/05/886986205.db2.gz FHMMXPLFEAPJGS-DEOSSOPVSA-N 1 1 407.558 4.065 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472305168 887129660 /nfs/dbraw/zinc/12/96/60/887129660.db2.gz JFNXWRDPXIVTQG-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000472305168 887129667 /nfs/dbraw/zinc/12/96/67/887129667.db2.gz JFNXWRDPXIVTQG-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2ccc(F)cc2)c1C#N ZINC000472433627 887281992 /nfs/dbraw/zinc/28/19/92/887281992.db2.gz OJBKIIXLOBGWPV-UHFFFAOYSA-N 1 1 422.504 4.260 20 30 HIEDMO N#CC(CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000472582197 887463906 /nfs/dbraw/zinc/46/39/06/887463906.db2.gz QDIXTKXZOFANAT-RUZDIDTESA-N 1 1 409.533 4.450 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000473493900 888215395 /nfs/dbraw/zinc/21/53/95/888215395.db2.gz GCGWDVFEASIFGF-SANMLTNESA-N 1 1 420.553 4.388 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473507684 888235261 /nfs/dbraw/zinc/23/52/61/888235261.db2.gz OJJONLMLJHAABX-VWLOTQADSA-N 1 1 419.594 4.306 20 30 HIEDMO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614802 888354628 /nfs/dbraw/zinc/35/46/28/888354628.db2.gz NIZGGMLJCKMUQF-CJFMBICVSA-N 1 1 402.542 4.317 20 30 HIEDMO N#C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000474395221 889264682 /nfs/dbraw/zinc/26/46/82/889264682.db2.gz TZLKOZWKEYVXTR-GCJKJVERSA-N 1 1 413.443 4.374 20 30 HIEDMO N#C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000474395221 889264692 /nfs/dbraw/zinc/26/46/92/889264692.db2.gz TZLKOZWKEYVXTR-GCJKJVERSA-N 1 1 413.443 4.374 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1F ZINC000475497839 890406650 /nfs/dbraw/zinc/40/66/50/890406650.db2.gz ZTMLPWPHQPELAP-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1F ZINC000475497839 890406661 /nfs/dbraw/zinc/40/66/61/890406661.db2.gz ZTMLPWPHQPELAP-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO CC[N@H+](CCOc1cc(Br)c(OC)cc1Br)C[C@H](C)C#N ZINC000475530784 890454455 /nfs/dbraw/zinc/45/44/55/890454455.db2.gz OCLRRLBXKHPFCE-LLVKDONJSA-N 1 1 420.145 4.081 20 30 HIEDMO CC[N@@H+](CCOc1cc(Br)c(OC)cc1Br)C[C@H](C)C#N ZINC000475530784 890454464 /nfs/dbraw/zinc/45/44/64/890454464.db2.gz OCLRRLBXKHPFCE-LLVKDONJSA-N 1 1 420.145 4.081 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cc1Cl ZINC000475630510 890571110 /nfs/dbraw/zinc/57/11/10/890571110.db2.gz GFQOSINWXAIJQS-GOSISDBHSA-N 1 1 404.942 4.083 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)c(C#N)c1C ZINC000475743405 890686042 /nfs/dbraw/zinc/68/60/42/890686042.db2.gz GZKLIIFZMOMHFY-UHFFFAOYSA-N 1 1 416.319 4.381 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)c(C#N)c1C ZINC000475743405 890686050 /nfs/dbraw/zinc/68/60/50/890686050.db2.gz GZKLIIFZMOMHFY-UHFFFAOYSA-N 1 1 416.319 4.381 20 30 HIEDMO CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000476431055 891343141 /nfs/dbraw/zinc/34/31/41/891343141.db2.gz RTKNDTKRTUTVMS-JOCHJYFZSA-N 1 1 413.525 4.384 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000476809682 891796413 /nfs/dbraw/zinc/79/64/13/891796413.db2.gz UNVGPRUVDIXNPI-JTSKRJEESA-N 1 1 419.529 4.005 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477049088 891979628 /nfs/dbraw/zinc/97/96/28/891979628.db2.gz JBSVUISTYKEWLC-KSFYIVLOSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477049088 891979642 /nfs/dbraw/zinc/97/96/42/891979642.db2.gz JBSVUISTYKEWLC-KSFYIVLOSA-N 1 1 401.576 4.108 20 30 HIEDMO C=C(C)[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721989 892826542 /nfs/dbraw/zinc/82/65/42/892826542.db2.gz KBKQSAZGYKLAJI-HYFFOGBASA-N 1 1 421.532 4.113 20 30 HIEDMO C=C(C)[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000477749004 892842541 /nfs/dbraw/zinc/84/25/41/892842541.db2.gz LIYZVHWJYTVDRD-HXUWFJFHSA-N 1 1 405.514 4.213 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000477759379 892848709 /nfs/dbraw/zinc/84/87/09/892848709.db2.gz BPCJUARGDJTCIK-LJQANCHMSA-N 1 1 406.461 4.396 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000477984616 893084872 /nfs/dbraw/zinc/08/48/72/893084872.db2.gz KVSMRQAKLFOBGB-PWIZWCRZSA-N 1 1 401.576 4.299 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000477984616 893084894 /nfs/dbraw/zinc/08/48/94/893084894.db2.gz KVSMRQAKLFOBGB-PWIZWCRZSA-N 1 1 401.576 4.299 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478055528 893208825 /nfs/dbraw/zinc/20/88/25/893208825.db2.gz RPJQAXHLHPBCFI-FCHUYYIVSA-N 1 1 410.606 4.298 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478055528 893208848 /nfs/dbraw/zinc/20/88/48/893208848.db2.gz RPJQAXHLHPBCFI-FCHUYYIVSA-N 1 1 410.606 4.298 20 30 HIEDMO N#CC1(NC(=O)c2cc(-c3ccccc3Cl)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000479350511 894646430 /nfs/dbraw/zinc/64/64/30/894646430.db2.gz UQGJOYGTOBQMPL-UHFFFAOYSA-N 1 1 420.900 4.283 20 30 HIEDMO C=C(C)[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000480282229 895686282 /nfs/dbraw/zinc/68/62/82/895686282.db2.gz YEKYGIQCTCWMCU-JOCHJYFZSA-N 1 1 415.484 4.278 20 30 HIEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481397030 896804068 /nfs/dbraw/zinc/80/40/68/896804068.db2.gz ADPJFNXMGCEVEB-DEOSSOPVSA-N 1 1 412.493 4.212 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccc(F)c(F)c1 ZINC000481598078 896978540 /nfs/dbraw/zinc/97/85/40/896978540.db2.gz YJTLJUCEGHMAJN-IQMFZBJNSA-N 1 1 418.484 4.375 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481609790 896991420 /nfs/dbraw/zinc/99/14/20/896991420.db2.gz OOXYOWFJLWHRLX-DFFLPILJSA-N 1 1 416.468 4.209 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481617689 896999545 /nfs/dbraw/zinc/99/95/45/896999545.db2.gz WHFLHRDIIJDOLI-BUXKBTBVSA-N 1 1 405.401 4.116 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481618313 897000747 /nfs/dbraw/zinc/00/07/47/897000747.db2.gz DTSCHSCBJGGNRL-OYHNWAKOSA-N 1 1 418.484 4.236 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)c1 ZINC000481620069 897002603 /nfs/dbraw/zinc/00/26/03/897002603.db2.gz CIHLHJBVRCWVRY-UXHICEINSA-N 1 1 408.477 4.025 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1C ZINC000481714795 897106222 /nfs/dbraw/zinc/10/62/22/897106222.db2.gz HIHPUNZREHHSHE-VWLOTQADSA-N 1 1 403.526 4.072 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1C ZINC000481714795 897106227 /nfs/dbraw/zinc/10/62/27/897106227.db2.gz HIHPUNZREHHSHE-VWLOTQADSA-N 1 1 403.526 4.072 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)cc1 ZINC000482135503 897593974 /nfs/dbraw/zinc/59/39/74/897593974.db2.gz IWYVJBFXEJPIJY-UHFFFAOYSA-N 1 1 401.466 4.292 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)cc1 ZINC000482135503 897593980 /nfs/dbraw/zinc/59/39/80/897593980.db2.gz IWYVJBFXEJPIJY-UHFFFAOYSA-N 1 1 401.466 4.292 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482627742 898231064 /nfs/dbraw/zinc/23/10/64/898231064.db2.gz HVMGALWJLWXVKX-FPOVZHCZSA-N 1 1 403.473 4.193 20 30 HIEDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC[NH2+]2)cc1 ZINC000505543849 914241548 /nfs/dbraw/zinc/24/15/48/914241548.db2.gz WGYMRQZAZKSOEP-QHCPKHFHSA-N 1 1 412.493 4.095 20 30 HIEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866722 898479136 /nfs/dbraw/zinc/47/91/36/898479136.db2.gz HBCZHRWXVRBGEG-QFIPXVFZSA-N 1 1 407.583 4.240 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@H]21 ZINC000483230955 898874295 /nfs/dbraw/zinc/87/42/95/898874295.db2.gz QPVXJTRGOQZEKF-FXAWDEMLSA-N 1 1 408.477 4.438 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000505620608 914322485 /nfs/dbraw/zinc/32/24/85/914322485.db2.gz KRIMBCYFGSZDQS-GHTZIAJQSA-N 1 1 411.571 4.005 20 30 HIEDMO Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000483585319 899236739 /nfs/dbraw/zinc/23/67/39/899236739.db2.gz OPBUZASVUVSOJQ-UHFFFAOYSA-N 1 1 422.554 4.022 20 30 HIEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645276 899301420 /nfs/dbraw/zinc/30/14/20/899301420.db2.gz GLRBBUWXFDANFZ-GOSISDBHSA-N 1 1 415.541 4.486 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483682316 899342017 /nfs/dbraw/zinc/34/20/17/899342017.db2.gz ORFMQTIHRMXGET-DEOSSOPVSA-N 1 1 402.542 4.166 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000505683134 914373606 /nfs/dbraw/zinc/37/36/06/914373606.db2.gz HTXSUZCURZNTOP-IBGZPJMESA-N 1 1 400.910 4.423 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484938983 900309469 /nfs/dbraw/zinc/30/94/69/900309469.db2.gz ZEOVJTUFVXPLFP-NRFANRHFSA-N 1 1 415.459 4.329 20 30 HIEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCC)C2CCN(C(=O)c3ccccc3)CC2)c1C ZINC000485038941 900376688 /nfs/dbraw/zinc/37/66/88/900376688.db2.gz FWEJLLHZAGKMFV-UHFFFAOYSA-N 1 1 421.585 4.490 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C#N ZINC000485210376 900499801 /nfs/dbraw/zinc/49/98/01/900499801.db2.gz QZPMIJCSHXTFMB-MRXNPFEDSA-N 1 1 408.546 4.299 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(F)ccc3OCC3CC3)CC2)cc1 ZINC000485265679 900549141 /nfs/dbraw/zinc/54/91/41/900549141.db2.gz UWQFQJDJLXTNAD-UHFFFAOYSA-N 1 1 422.504 4.226 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(F)ccc3OCC3CC3)CC2)cc1 ZINC000485265679 900549148 /nfs/dbraw/zinc/54/91/48/900549148.db2.gz UWQFQJDJLXTNAD-UHFFFAOYSA-N 1 1 422.504 4.226 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485306406 900584965 /nfs/dbraw/zinc/58/49/65/900584965.db2.gz RECGSRSEDPTCLK-REWPJTCUSA-N 1 1 422.960 4.137 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337788 900626321 /nfs/dbraw/zinc/62/63/21/900626321.db2.gz PHHAGWIDNIPDOR-RBBKRZOGSA-N 1 1 422.598 4.162 20 30 HIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000485771171 901027798 /nfs/dbraw/zinc/02/77/98/901027798.db2.gz PWCPNZIQFJUCQC-LSTHTHJFSA-N 1 1 403.592 4.402 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3c(F)cc(F)cc3C2)sc2c1CCCC2 ZINC000486149284 901336997 /nfs/dbraw/zinc/33/69/97/901336997.db2.gz UNKQSTLRGXWUEZ-UHFFFAOYSA-N 1 1 401.482 4.164 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCc3c(F)cc(F)cc3C2)sc2c1CCCC2 ZINC000486149284 901337001 /nfs/dbraw/zinc/33/70/01/901337001.db2.gz UNKQSTLRGXWUEZ-UHFFFAOYSA-N 1 1 401.482 4.164 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000487204720 902100572 /nfs/dbraw/zinc/10/05/72/902100572.db2.gz DPHXLZGIXFAJSP-REHUZNOOSA-N 1 1 405.542 4.461 20 30 HIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000487381739 902172228 /nfs/dbraw/zinc/17/22/28/902172228.db2.gz UMZHHSAXNOXUKA-KRWDZBQOSA-N 1 1 406.448 4.378 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937328 902467893 /nfs/dbraw/zinc/46/78/93/902467893.db2.gz XJDZCQKZXSCALT-JKSUJKDBSA-N 1 1 419.367 4.439 20 30 HIEDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000488243679 902718160 /nfs/dbraw/zinc/71/81/60/902718160.db2.gz NLUHWADWUZUYFE-LMDPOFIKSA-N 1 1 403.592 4.140 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000488326378 902765204 /nfs/dbraw/zinc/76/52/04/902765204.db2.gz DEGMNCFJKUVDLO-OALUTQOASA-N 1 1 416.294 4.117 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344704 902777618 /nfs/dbraw/zinc/77/76/18/902777618.db2.gz IDYOBLHDLUOZDT-GOSISDBHSA-N 1 1 420.513 4.068 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488556385 902882226 /nfs/dbraw/zinc/88/22/26/902882226.db2.gz IEAWEFWBMYMFAE-VXKWHMMOSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488556385 902882233 /nfs/dbraw/zinc/88/22/33/902882233.db2.gz IEAWEFWBMYMFAE-VXKWHMMOSA-N 1 1 412.484 4.202 20 30 HIEDMO C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000489015854 903121832 /nfs/dbraw/zinc/12/18/32/903121832.db2.gz PZQCVCUWNSEZBZ-GOTSBHOMSA-N 1 1 405.542 4.151 20 30 HIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866794 903638517 /nfs/dbraw/zinc/63/85/17/903638517.db2.gz SJAMSVIJTNSDNF-WMLDXEAASA-N 1 1 413.319 4.127 20 30 HIEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)s1 ZINC000492658158 904883545 /nfs/dbraw/zinc/88/35/45/904883545.db2.gz UPYIVTRNCFOJRK-UHFFFAOYSA-N 1 1 418.360 4.085 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512393011 921128641 /nfs/dbraw/zinc/12/86/41/921128641.db2.gz NBUFMPRBMUBJFL-SIKLNZKXSA-N 1 1 402.542 4.147 20 30 HIEDMO N#CCCCOc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000512405362 921139380 /nfs/dbraw/zinc/13/93/80/921139380.db2.gz YZAYTXPIHAEOCI-UHFFFAOYSA-N 1 1 411.509 4.111 20 30 HIEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495051478 906205686 /nfs/dbraw/zinc/20/56/86/906205686.db2.gz VXWBKMDVEXZPDW-MOPGFXCFSA-N 1 1 412.578 4.011 20 30 HIEDMO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495373214 906410605 /nfs/dbraw/zinc/41/06/05/906410605.db2.gz DIOYCCWFJPGIAD-PXDATVDWSA-N 1 1 402.586 4.023 20 30 HIEDMO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512599716 921254864 /nfs/dbraw/zinc/25/48/64/921254864.db2.gz IFSMEQSDKIWYEI-UHFFFAOYSA-N 1 1 418.585 4.367 20 30 HIEDMO N#CC1CCC(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000512640661 921270596 /nfs/dbraw/zinc/27/05/96/921270596.db2.gz ZGRPEJSGTKLIMI-JNNLDFGZSA-N 1 1 416.569 4.284 20 30 HIEDMO C[N@H+]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403913 906882564 /nfs/dbraw/zinc/88/25/64/906882564.db2.gz NSENFXGYAIAVKW-JWQCQUIFSA-N 1 1 411.505 4.373 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593790 907073676 /nfs/dbraw/zinc/07/36/76/907073676.db2.gz JTOKKQIOJJIRNY-AVRDEDQJSA-N 1 1 421.541 4.322 20 30 HIEDMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497612665 907091821 /nfs/dbraw/zinc/09/18/21/907091821.db2.gz STNXDYSCUCQCHJ-SFHVURJKSA-N 1 1 406.530 4.062 20 30 HIEDMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000497612665 907091838 /nfs/dbraw/zinc/09/18/38/907091838.db2.gz STNXDYSCUCQCHJ-SFHVURJKSA-N 1 1 406.530 4.062 20 30 HIEDMO Cc1ccc(CN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C2CC2)cc1 ZINC000512829131 921334735 /nfs/dbraw/zinc/33/47/35/921334735.db2.gz TUVBREQZIJHIPN-UHFFFAOYSA-N 1 1 421.516 4.040 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000498166613 907696588 /nfs/dbraw/zinc/69/65/88/907696588.db2.gz OGDMACDZIWYPPF-UHFFFAOYSA-N 1 1 414.509 4.272 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000498166613 907696601 /nfs/dbraw/zinc/69/66/01/907696601.db2.gz OGDMACDZIWYPPF-UHFFFAOYSA-N 1 1 414.509 4.272 20 30 HIEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512844728 921347205 /nfs/dbraw/zinc/34/72/05/921347205.db2.gz OVZIHPSBCLUZJM-QZTJIDSGSA-N 1 1 409.505 4.115 20 30 HIEDMO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512853279 921358741 /nfs/dbraw/zinc/35/87/41/921358741.db2.gz VSUWKJZGHSSWSX-PZJWPPBQSA-N 1 1 402.542 4.256 20 30 HIEDMO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000498392760 907876599 /nfs/dbraw/zinc/87/65/99/907876599.db2.gz UNAOMRXUCKNFPU-XZOQPEGZSA-N 1 1 407.514 4.360 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@H+]2C2CC2)c1 ZINC000498531048 908001007 /nfs/dbraw/zinc/00/10/07/908001007.db2.gz YUJOJGSCHXDHDH-RTWAWAEBSA-N 1 1 410.905 4.320 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703824 908128682 /nfs/dbraw/zinc/12/86/82/908128682.db2.gz LQXGVMNXGGJHHW-YKSBVNFPSA-N 1 1 402.542 4.166 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499194577 908548400 /nfs/dbraw/zinc/54/84/00/908548400.db2.gz PLFUBALSEHLXJN-OFNKIYASSA-N 1 1 409.578 4.215 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000499564676 908841664 /nfs/dbraw/zinc/84/16/64/908841664.db2.gz SXOOGHHVCJBNPF-MOPGFXCFSA-N 1 1 406.530 4.392 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564870 908841921 /nfs/dbraw/zinc/84/19/21/908841921.db2.gz QHGQDIMRYKIKMG-QHCPKHFHSA-N 1 1 405.542 4.135 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000500641842 909987020 /nfs/dbraw/zinc/98/70/20/909987020.db2.gz KBMDXLGLUGQNDZ-BGYRXZFFSA-N 1 1 404.558 4.378 20 30 HIEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000500970935 910212578 /nfs/dbraw/zinc/21/25/78/910212578.db2.gz LNLCKWXRZUDOSM-QHCPKHFHSA-N 1 1 406.530 4.136 20 30 HIEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000501028631 910246619 /nfs/dbraw/zinc/24/66/19/910246619.db2.gz FPFGCZAHCOPJBV-NRFANRHFSA-N 1 1 421.342 4.380 20 30 HIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502173432 911094738 /nfs/dbraw/zinc/09/47/38/911094738.db2.gz KHEZLLRJXBCXNK-INIZCTEOSA-N 1 1 424.932 4.198 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190259 911127861 /nfs/dbraw/zinc/12/78/61/911127861.db2.gz UKFFEVBXILHGBA-NLFFAJNJSA-N 1 1 414.553 4.268 20 30 HIEDMO CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000502279060 911228941 /nfs/dbraw/zinc/22/89/41/911228941.db2.gz UHMZGBITGCNOLS-UHFFFAOYSA-N 1 1 414.553 4.194 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502305554 911269642 /nfs/dbraw/zinc/26/96/42/911269642.db2.gz UZPCEHZTJWTXBA-UHFFFAOYSA-N 1 1 402.542 4.397 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1 ZINC000502321543 911298138 /nfs/dbraw/zinc/29/81/38/911298138.db2.gz OLIWZOVFZVVEMB-UHFFFAOYSA-N 1 1 415.459 4.401 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1 ZINC000502321543 911298168 /nfs/dbraw/zinc/29/81/68/911298168.db2.gz OLIWZOVFZVVEMB-UHFFFAOYSA-N 1 1 415.459 4.401 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC000502356456 911338915 /nfs/dbraw/zinc/33/89/15/911338915.db2.gz BQJNAWGBUFHSJX-IBGZPJMESA-N 1 1 410.949 4.423 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC000502356456 911338935 /nfs/dbraw/zinc/33/89/35/911338935.db2.gz BQJNAWGBUFHSJX-IBGZPJMESA-N 1 1 410.949 4.423 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000513261254 921666101 /nfs/dbraw/zinc/66/61/01/921666101.db2.gz JIDIQKWDBUQUAE-QFIPXVFZSA-N 1 1 415.493 4.125 20 30 HIEDMO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507462 911511779 /nfs/dbraw/zinc/51/17/79/911511779.db2.gz OEFJWEZYFJQDEO-XXGSHBOYSA-N 1 1 404.510 4.129 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000506279664 914880270 /nfs/dbraw/zinc/88/02/70/914880270.db2.gz LCQAOEGFVQVHGM-UHFFFAOYSA-N 1 1 411.933 4.081 20 30 HIEDMO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000506452130 915051320 /nfs/dbraw/zinc/05/13/20/915051320.db2.gz MZFUBVJZUZHRQK-UHFFFAOYSA-N 1 1 402.897 4.438 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)ccc1OC ZINC000506482181 915089062 /nfs/dbraw/zinc/08/90/62/915089062.db2.gz SKVWFAHCKGNPBC-UHFFFAOYSA-N 1 1 400.563 4.265 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)ccc1OC ZINC000506482181 915089080 /nfs/dbraw/zinc/08/90/80/915089080.db2.gz SKVWFAHCKGNPBC-UHFFFAOYSA-N 1 1 400.563 4.265 20 30 HIEDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000506484990 915090513 /nfs/dbraw/zinc/09/05/13/915090513.db2.gz HAKAXAPFOVSWHB-IBGZPJMESA-N 1 1 400.567 4.169 20 30 HIEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000506484990 915090535 /nfs/dbraw/zinc/09/05/35/915090535.db2.gz HAKAXAPFOVSWHB-IBGZPJMESA-N 1 1 400.567 4.169 20 30 HIEDMO 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ZINC000520899430 928866557 /nfs/dbraw/zinc/86/65/57/928866557.db2.gz ZEKCOFKKTOAELB-UNMCSNQZSA-N 1 1 418.541 4.331 20 30 HIEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000520934919 928881603 /nfs/dbraw/zinc/88/16/03/928881603.db2.gz UJUZMVIYSLBIQM-MRXNPFEDSA-N 1 1 422.392 4.260 20 30 HIEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000520934919 928881608 /nfs/dbraw/zinc/88/16/08/928881608.db2.gz UJUZMVIYSLBIQM-MRXNPFEDSA-N 1 1 422.392 4.260 20 30 HIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520937563 928882507 /nfs/dbraw/zinc/88/25/07/928882507.db2.gz DBGRNHLJSXCPRB-AWEZNQCLSA-N 1 1 416.298 4.313 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520937563 928882508 /nfs/dbraw/zinc/88/25/08/928882508.db2.gz DBGRNHLJSXCPRB-AWEZNQCLSA-N 1 1 416.298 4.313 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCc2ccccc21 ZINC000521819987 929477611 /nfs/dbraw/zinc/47/76/11/929477611.db2.gz PXLGHVPVNPLMDL-HSZRJFAPSA-N 1 1 422.573 4.351 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000521851853 929502090 /nfs/dbraw/zinc/50/20/90/929502090.db2.gz OFEZYORAIMEQJD-SFTDATJTSA-N 1 1 402.542 4.474 20 30 HIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000524993301 929960295 /nfs/dbraw/zinc/96/02/95/929960295.db2.gz LXQOCJWJYBJEHW-PNLZDCPESA-N 1 1 405.970 4.046 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525124131 930049842 /nfs/dbraw/zinc/04/98/42/930049842.db2.gz YRIWZFQJKXFOAX-JAXLGGSGSA-N 1 1 405.542 4.456 20 30 HIEDMO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000525858727 930469329 /nfs/dbraw/zinc/46/93/29/930469329.db2.gz YAEOQRGNUBKNJS-VXPHMXNRSA-N 1 1 404.558 4.143 20 30 HIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000526973626 930560230 /nfs/dbraw/zinc/56/02/30/930560230.db2.gz ZSXFXRHMJONURN-LJQANCHMSA-N 1 1 412.578 4.012 20 30 HIEDMO CCCc1c(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000527132473 930599106 /nfs/dbraw/zinc/59/91/06/930599106.db2.gz BRBVCOFJNNWSKL-JOCHJYFZSA-N 1 1 414.513 4.005 20 30 HIEDMO CCCc1c(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000527132473 930599109 /nfs/dbraw/zinc/59/91/09/930599109.db2.gz BRBVCOFJNNWSKL-JOCHJYFZSA-N 1 1 414.513 4.005 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000527316881 930633336 /nfs/dbraw/zinc/63/33/36/930633336.db2.gz GPUUEYPXYRSFCH-FPOVZHCZSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000527316881 930633342 /nfs/dbraw/zinc/63/33/42/930633342.db2.gz GPUUEYPXYRSFCH-FPOVZHCZSA-N 1 1 414.456 4.191 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ccccn2)cc1OCC ZINC000527358169 930645096 /nfs/dbraw/zinc/64/50/96/930645096.db2.gz VMXXQZMTVKYXBI-UHFFFAOYSA-N 1 1 405.336 4.482 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000530356731 930692802 /nfs/dbraw/zinc/69/28/02/930692802.db2.gz CAMPXHGENVMPCG-PKTZIBPZSA-N 1 1 418.541 4.068 20 30 HIEDMO CC(C)(C)[C@@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532158730 931331767 /nfs/dbraw/zinc/33/17/67/931331767.db2.gz HKSOQAYSVZGPIY-QHCPKHFHSA-N 1 1 424.614 4.031 20 30 HIEDMO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2)cc1 ZINC000532181714 931338373 /nfs/dbraw/zinc/33/83/73/931338373.db2.gz TXOFQZOQTWZNEM-GOTSBHOMSA-N 1 1 420.513 4.115 20 30 HIEDMO CCC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000532412198 931426439 /nfs/dbraw/zinc/42/64/39/931426439.db2.gz HQNIZMVHGDSOFL-UHFFFAOYSA-N 1 1 420.376 4.253 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)cc1 ZINC000532437498 931433761 /nfs/dbraw/zinc/43/37/61/931433761.db2.gz KQJMULJHZCLAKZ-PKTZIBPZSA-N 1 1 420.513 4.115 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000532571285 931533031 /nfs/dbraw/zinc/53/30/31/931533031.db2.gz LWPQMIUAKVQTTK-SFHVURJKSA-N 1 1 422.573 4.303 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000532571285 931533039 /nfs/dbraw/zinc/53/30/39/931533039.db2.gz LWPQMIUAKVQTTK-SFHVURJKSA-N 1 1 422.573 4.303 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000532590543 931548458 /nfs/dbraw/zinc/54/84/58/931548458.db2.gz NQNGICFPERMLGM-LADGPHEKSA-N 1 1 415.537 4.226 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970900 931720262 /nfs/dbraw/zinc/72/02/62/931720262.db2.gz ACDHSLGBLKLVDJ-ZLGUVYLKSA-N 1 1 415.603 4.353 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC1(c2ccc(Br)cc2)CC1 ZINC000532973764 931722497 /nfs/dbraw/zinc/72/24/97/931722497.db2.gz DDSCFTPEEPTBND-UHFFFAOYSA-N 1 1 418.360 4.374 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532975845 931723258 /nfs/dbraw/zinc/72/32/58/931723258.db2.gz UPCZWDKEPPDHHL-NRFANRHFSA-N 1 1 405.542 4.045 20 30 HIEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](C[C@H](C)C#N)C2CC2)c2ccccc2)cc1 ZINC000533139186 931780034 /nfs/dbraw/zinc/78/00/34/931780034.db2.gz POOUPEJEKSIKPF-AUSIDOKSSA-N 1 1 411.571 4.029 20 30 HIEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](C[C@H](C)C#N)C2CC2)c2ccccc2)cc1 ZINC000533139186 931780038 /nfs/dbraw/zinc/78/00/38/931780038.db2.gz POOUPEJEKSIKPF-AUSIDOKSSA-N 1 1 411.571 4.029 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533295119 931831530 /nfs/dbraw/zinc/83/15/30/931831530.db2.gz OVCKMGKWSYVSEM-HNNXBMFYSA-N 1 1 412.331 4.311 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000533311567 931836356 /nfs/dbraw/zinc/83/63/56/931836356.db2.gz VBWVXILRTOWFHE-IBGZPJMESA-N 1 1 405.395 4.169 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374837 931852478 /nfs/dbraw/zinc/85/24/78/931852478.db2.gz CWRZMOFXANTETN-IYWMVGAKSA-N 1 1 414.619 4.357 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375256 931852703 /nfs/dbraw/zinc/85/27/03/931852703.db2.gz LCKPTBWRCQKBCS-FGTMMUONSA-N 1 1 414.619 4.164 20 30 HIEDMO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000533531489 931895421 /nfs/dbraw/zinc/89/54/21/931895421.db2.gz HCTOPIOGYZCWKT-LJQANCHMSA-N 1 1 408.521 4.346 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000533531100 931895561 /nfs/dbraw/zinc/89/55/61/931895561.db2.gz JOHFWQWFBYOQCV-UHFFFAOYSA-N 1 1 420.557 4.217 20 30 HIEDMO C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000533936327 932110122 /nfs/dbraw/zinc/11/01/22/932110122.db2.gz AYQYYUQCMCTQNL-AUSIDOKSSA-N 1 1 405.542 4.151 20 30 HIEDMO C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000534205436 932330560 /nfs/dbraw/zinc/33/05/60/932330560.db2.gz FVFAOXLJPUPZBU-PKTZIBPZSA-N 1 1 414.594 4.052 20 30 HIEDMO N#CCc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000534689729 932661244 /nfs/dbraw/zinc/66/12/44/932661244.db2.gz CLYKGNOSJQSPHT-HXUWFJFHSA-N 1 1 415.459 4.279 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859060 932809880 /nfs/dbraw/zinc/80/98/80/932809880.db2.gz PWVBMGMUYIKCTO-GHTZIAJQSA-N 1 1 400.906 4.089 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859060 932809882 /nfs/dbraw/zinc/80/98/82/932809882.db2.gz PWVBMGMUYIKCTO-GHTZIAJQSA-N 1 1 400.906 4.089 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534970355 932868255 /nfs/dbraw/zinc/86/82/55/932868255.db2.gz AUSVURONVMWCKR-RXVVDRJESA-N 1 1 414.912 4.185 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000535572089 933247345 /nfs/dbraw/zinc/24/73/45/933247345.db2.gz PEHAJYVJMOVVAL-JTHBVZDNSA-N 1 1 411.933 4.322 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000535572089 933247350 /nfs/dbraw/zinc/24/73/50/933247350.db2.gz PEHAJYVJMOVVAL-JTHBVZDNSA-N 1 1 411.933 4.322 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000535667683 933313921 /nfs/dbraw/zinc/31/39/21/933313921.db2.gz NWOHIHWPVXBZKA-NRFANRHFSA-N 1 1 405.502 4.035 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000535667683 933313934 /nfs/dbraw/zinc/31/39/34/933313934.db2.gz NWOHIHWPVXBZKA-NRFANRHFSA-N 1 1 405.502 4.035 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676987 933326745 /nfs/dbraw/zinc/32/67/45/933326745.db2.gz SVIIVYVQWPUHLJ-LJQANCHMSA-N 1 1 420.557 4.083 20 30 HIEDMO C=CCOc1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000536033671 933582841 /nfs/dbraw/zinc/58/28/41/933582841.db2.gz AAAUZENLDWNQCK-NRFANRHFSA-N 1 1 424.541 4.092 20 30 HIEDMO C=C[C@H](CC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000536119978 933670347 /nfs/dbraw/zinc/67/03/47/933670347.db2.gz TZIIKDOHCCJFME-OAQYLSRUSA-N 1 1 421.585 4.490 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cc1OC ZINC000537623167 938337021 /nfs/dbraw/zinc/33/70/21/938337021.db2.gz YVXCMXFUPVLPSE-GOSISDBHSA-N 1 1 406.320 4.188 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000537623169 938337273 /nfs/dbraw/zinc/33/72/73/938337273.db2.gz YVXCMXFUPVLPSE-SFHVURJKSA-N 1 1 406.320 4.188 20 30 HIEDMO C=CCOc1cccc(C[N@@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1 ZINC000537711744 938361658 /nfs/dbraw/zinc/36/16/58/938361658.db2.gz WIPNDXMJDRZPJP-SFHVURJKSA-N 1 1 401.576 4.123 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000537841556 938387350 /nfs/dbraw/zinc/38/73/50/938387350.db2.gz PVYGLZVKGVPDPQ-GOSISDBHSA-N 1 1 408.571 4.227 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CC2)cc1 ZINC000537884174 938399269 /nfs/dbraw/zinc/39/92/69/938399269.db2.gz XLKKDXKXMSESCP-UHFFFAOYSA-N 1 1 424.455 4.112 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnc(OC4CCCCC4)c3)CC2)cc1 ZINC000537915769 938411549 /nfs/dbraw/zinc/41/15/49/938411549.db2.gz HCHNECHJEFFEJJ-UHFFFAOYSA-N 1 1 418.541 4.013 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc(OC4CCCCC4)c3)CC2)cc1 ZINC000537915769 938411558 /nfs/dbraw/zinc/41/15/58/938411558.db2.gz HCHNECHJEFFEJJ-UHFFFAOYSA-N 1 1 418.541 4.013 20 30 HIEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000538187917 938543850 /nfs/dbraw/zinc/54/38/50/938543850.db2.gz KDDUQETWCLEEAD-KRWDZBQOSA-N 1 1 413.493 4.057 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C(N)=O)cc1 ZINC000538322556 938591975 /nfs/dbraw/zinc/59/19/75/938591975.db2.gz CASCTBFEGUUHLS-ROUUACIJSA-N 1 1 407.823 4.498 20 30 HIEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000538996463 938763746 /nfs/dbraw/zinc/76/37/46/938763746.db2.gz BJNNBCPLUSZUNM-UHFFFAOYSA-N 1 1 408.552 4.439 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000539210973 938819598 /nfs/dbraw/zinc/81/95/98/938819598.db2.gz LOUAJHLSGILMFV-UHFFFAOYSA-N 1 1 402.542 4.385 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539247773 938825197 /nfs/dbraw/zinc/82/51/97/938825197.db2.gz NFSGXXADSFZQHG-NWDGAFQWSA-N 1 1 405.470 4.388 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000539378517 938851539 /nfs/dbraw/zinc/85/15/39/938851539.db2.gz DOUUIKKTTWPKOM-HXUWFJFHSA-N 1 1 403.885 4.012 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000539669351 938897880 /nfs/dbraw/zinc/89/78/80/938897880.db2.gz QHBBFAQHHAMHFT-SFHVURJKSA-N 1 1 410.352 4.414 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539813172 938940754 /nfs/dbraw/zinc/94/07/54/938940754.db2.gz JQHSWVQAMNXYON-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539813172 938940760 /nfs/dbraw/zinc/94/07/60/938940760.db2.gz JQHSWVQAMNXYON-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942730 /nfs/dbraw/zinc/94/27/30/938942730.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831252 938950881 /nfs/dbraw/zinc/95/08/81/938950881.db2.gz FVVVKGARCDEUNJ-CYBMUJFWSA-N 1 1 404.337 4.236 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)CC(F)(F)F ZINC000539849516 938957075 /nfs/dbraw/zinc/95/70/75/938957075.db2.gz BHOWIWMIUCCLQV-GOSISDBHSA-N 1 1 419.495 4.170 20 30 HIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1cc(F)ccc1F ZINC000540457033 939258397 /nfs/dbraw/zinc/25/83/97/939258397.db2.gz UPXYOSGAEJLNAM-HNAYVOBHSA-N 1 1 401.457 4.349 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799778 939377099 /nfs/dbraw/zinc/37/70/99/939377099.db2.gz QCMKRKXUODYCAC-UNMCSNQZSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799778 939377101 /nfs/dbraw/zinc/37/71/01/939377101.db2.gz QCMKRKXUODYCAC-UNMCSNQZSA-N 1 1 415.896 4.070 20 30 HIEDMO N#CCC1CC[NH+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)CC1 ZINC000541019533 939431904 /nfs/dbraw/zinc/43/19/04/939431904.db2.gz JLOMSCJUPDAZGP-FQEVSTJZSA-N 1 1 416.481 4.329 20 30 HIEDMO N#CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000541033580 939436876 /nfs/dbraw/zinc/43/68/76/939436876.db2.gz ALXFMZULYABESH-NRFANRHFSA-N 1 1 408.571 4.183 20 30 HIEDMO N#CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000541033580 939436877 /nfs/dbraw/zinc/43/68/77/939436877.db2.gz ALXFMZULYABESH-NRFANRHFSA-N 1 1 408.571 4.183 20 30 HIEDMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)co2)cc1 ZINC000541066424 939447798 /nfs/dbraw/zinc/44/77/98/939447798.db2.gz CYAHJVQUNOLAPE-UHFFFAOYSA-N 1 1 417.465 4.043 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158576 939480744 /nfs/dbraw/zinc/48/07/44/939480744.db2.gz HTNFBMWOHUBGGO-NTUVXCKYSA-N 1 1 402.542 4.412 20 30 HIEDMO N#Cc1cccc(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000541299858 939489967 /nfs/dbraw/zinc/48/99/67/939489967.db2.gz WKAMGDUDWNHLPE-UHFFFAOYSA-N 1 1 402.325 4.188 20 30 HIEDMO N#Cc1ccc(C[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C2CC2)cc1 ZINC000541315893 939490666 /nfs/dbraw/zinc/49/06/66/939490666.db2.gz NAMYSCQIVWRRGA-UHFFFAOYSA-N 1 1 403.555 4.231 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000541383289 939502289 /nfs/dbraw/zinc/50/22/89/939502289.db2.gz ROIBGDOYRPOVTN-MRXNPFEDSA-N 1 1 421.570 4.155 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000541383289 939502292 /nfs/dbraw/zinc/50/22/92/939502292.db2.gz ROIBGDOYRPOVTN-MRXNPFEDSA-N 1 1 421.570 4.155 20 30 HIEDMO N#Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000541600909 939565259 /nfs/dbraw/zinc/56/52/59/939565259.db2.gz CSIGQIHBLJTNLT-IBGZPJMESA-N 1 1 405.889 4.107 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C2CC2)s1 ZINC000541603203 939566278 /nfs/dbraw/zinc/56/62/78/939566278.db2.gz PIVWFSYHJCBCCI-IBGZPJMESA-N 1 1 402.951 4.401 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000541648064 939586307 /nfs/dbraw/zinc/58/63/07/939586307.db2.gz DEXSTEHONWXTMO-LJQANCHMSA-N 1 1 403.910 4.164 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541921899 939654698 /nfs/dbraw/zinc/65/46/98/939654698.db2.gz HTYGTFBWZPFOBU-UXHICEINSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541921899 939654699 /nfs/dbraw/zinc/65/46/99/939654699.db2.gz HTYGTFBWZPFOBU-UXHICEINSA-N 1 1 406.933 4.338 20 30 HIEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)cc1 ZINC000543299043 940021802 /nfs/dbraw/zinc/02/18/02/940021802.db2.gz ZGWRNUPRVUYQPJ-HXUWFJFHSA-N 1 1 408.571 4.206 20 30 HIEDMO C[NH+](C)[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000543389469 940048743 /nfs/dbraw/zinc/04/87/43/940048743.db2.gz TVEYBVJWUIPUDH-IRXDYDNUSA-N 1 1 406.711 4.086 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000544019753 940301466 /nfs/dbraw/zinc/30/14/66/940301466.db2.gz MKNOWLVQDDYZFY-UHFFFAOYSA-N 1 1 407.480 4.351 20 30 HIEDMO N#CCc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000544069257 940316750 /nfs/dbraw/zinc/31/67/50/940316750.db2.gz MBNBBWKECMIWQD-UHFFFAOYSA-N 1 1 404.392 4.002 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000544143026 940336929 /nfs/dbraw/zinc/33/69/29/940336929.db2.gz VNLVZJOHNBBJFZ-GGPKGHCWSA-N 1 1 404.432 4.217 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000544143026 940336935 /nfs/dbraw/zinc/33/69/35/940336935.db2.gz VNLVZJOHNBBJFZ-GGPKGHCWSA-N 1 1 404.432 4.217 20 30 HIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000545872580 940646672 /nfs/dbraw/zinc/64/66/72/940646672.db2.gz ISPKINMJWVGUNZ-MRXNPFEDSA-N 1 1 401.894 4.148 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C5(C#N)CC5)cc4)n3)cc2F)CC1 ZINC000547080024 940987280 /nfs/dbraw/zinc/98/72/80/940987280.db2.gz UJCRPPPEALXAHX-UHFFFAOYSA-N 1 1 417.488 4.240 20 30 HIEDMO C=CCOCCCc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000547088881 940991018 /nfs/dbraw/zinc/99/10/18/940991018.db2.gz YSUKBQMFHQBHAO-UHFFFAOYSA-N 1 1 419.525 4.371 20 30 HIEDMO C=C(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc(F)c(F)c1 ZINC000547512808 941066716 /nfs/dbraw/zinc/06/67/16/941066716.db2.gz RZDMEIBEKKPBOW-IBGZPJMESA-N 1 1 420.257 4.142 20 30 HIEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000547984521 941081985 /nfs/dbraw/zinc/08/19/85/941081985.db2.gz LLSFUDOZKVSYLW-LJQANCHMSA-N 1 1 405.889 4.107 20 30 HIEDMO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000548617418 941115293 /nfs/dbraw/zinc/11/52/93/941115293.db2.gz ZIJYPEPIJDJUKK-FQEVSTJZSA-N 1 1 419.916 4.416 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548854396 941126839 /nfs/dbraw/zinc/12/68/39/941126839.db2.gz KFHGLHINOXXDGS-UHFFFAOYSA-N 1 1 405.949 4.480 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000549095923 941157496 /nfs/dbraw/zinc/15/74/96/941157496.db2.gz UQUXGOMNRHRIHM-KRWDZBQOSA-N 1 1 420.948 4.373 20 30 HIEDMO N#Cc1cc2c(nc1N1CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CCC2 ZINC000549814743 941208295 /nfs/dbraw/zinc/20/82/95/941208295.db2.gz NTVSOXDUJZPEEF-UHFFFAOYSA-N 1 1 400.448 4.173 20 30 HIEDMO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cc(F)cc(C#N)c1 ZINC000552290110 941623468 /nfs/dbraw/zinc/62/34/68/941623468.db2.gz ZFKUEACBJDGRFU-AREMUKBSSA-N 1 1 419.544 4.490 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000552372245 941648068 /nfs/dbraw/zinc/64/80/68/941648068.db2.gz ZUHQSJNFTJLDOE-QUCCMNQESA-N 1 1 405.517 4.146 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000552429413 941668740 /nfs/dbraw/zinc/66/87/40/941668740.db2.gz BZMQXQWXKSIKJF-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000552429413 941668745 /nfs/dbraw/zinc/66/87/45/941668745.db2.gz BZMQXQWXKSIKJF-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO N#Cc1ccsc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000552850251 941787660 /nfs/dbraw/zinc/78/76/60/941787660.db2.gz VFWWHZVRXSOYEM-JOCHJYFZSA-N 1 1 416.550 4.322 20 30 HIEDMO C[N@@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000552861677 941790971 /nfs/dbraw/zinc/79/09/71/941790971.db2.gz ZUMWBXXQCBIKGU-UHFFFAOYSA-N 1 1 424.976 4.066 20 30 HIEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553041753 941823077 /nfs/dbraw/zinc/82/30/77/941823077.db2.gz GTVUMNBJDRRNLV-FQEVSTJZSA-N 1 1 416.997 4.151 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 ZINC000553394284 941878615 /nfs/dbraw/zinc/87/86/15/941878615.db2.gz KVIUTSXNEFFCJC-QGZVFWFLSA-N 1 1 411.571 4.222 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840676 942278924 /nfs/dbraw/zinc/27/89/24/942278924.db2.gz ZROAFGHNZGFKOB-XUZZJYLKSA-N 1 1 416.481 4.113 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555241099 942442400 /nfs/dbraw/zinc/44/24/00/942442400.db2.gz YLXNLUHDNBWREC-JOCHJYFZSA-N 1 1 416.573 4.183 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000555241165 942442496 /nfs/dbraw/zinc/44/24/96/942442496.db2.gz ULDBYKKHCUVBNT-LJQANCHMSA-N 1 1 406.578 4.094 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000556862143 942943239 /nfs/dbraw/zinc/94/32/39/942943239.db2.gz ABMDNQXAWAHUQG-QGZVFWFLSA-N 1 1 424.854 4.270 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000556862143 942943250 /nfs/dbraw/zinc/94/32/50/942943250.db2.gz ABMDNQXAWAHUQG-QGZVFWFLSA-N 1 1 424.854 4.270 20 30 HIEDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920523 942966219 /nfs/dbraw/zinc/96/62/19/942966219.db2.gz MUQPDHGYUOMLJT-ZJSXRUAMSA-N 1 1 419.544 4.488 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000559000720 943797495 /nfs/dbraw/zinc/79/74/95/943797495.db2.gz AXWROXMXBUCZEB-UGKGYDQZSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000559003927 943799505 /nfs/dbraw/zinc/79/95/05/943799505.db2.gz JCWOINIKXRDCAB-GGAORHGYSA-N 1 1 405.590 4.207 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728748 944038058 /nfs/dbraw/zinc/03/80/58/944038058.db2.gz CKEQTYZCZRKXNH-GOSISDBHSA-N 1 1 423.538 4.045 20 30 HIEDMO N#Cc1c(F)cc(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1F ZINC000560453085 944232901 /nfs/dbraw/zinc/23/29/01/944232901.db2.gz BFWPLCYKFJSYAV-UHFFFAOYSA-N 1 1 405.448 4.155 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560997361 944391154 /nfs/dbraw/zinc/39/11/54/944391154.db2.gz BAEINOCRLAUOKV-QFIPXVFZSA-N 1 1 402.542 4.147 20 30 HIEDMO C=CCCO[C@@H](C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074128 944429321 /nfs/dbraw/zinc/42/93/21/944429321.db2.gz GOWCGFQOLWEFDN-XUZZJYLKSA-N 1 1 407.558 4.056 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085337 944440116 /nfs/dbraw/zinc/44/01/16/944440116.db2.gz SOUYZGQNMBCJEJ-XUZZJYLKSA-N 1 1 417.509 4.202 20 30 HIEDMO C=CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000561552931 944670378 /nfs/dbraw/zinc/67/03/78/944670378.db2.gz AWKVVUWSEPEWNY-NOTZXAQLSA-N 1 1 405.542 4.246 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000564375334 945539339 /nfs/dbraw/zinc/53/93/39/945539339.db2.gz DCBISSAVAQCWKE-HTAPYJJXSA-N 1 1 404.562 4.154 20 30 HIEDMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000567646451 946390687 /nfs/dbraw/zinc/39/06/87/946390687.db2.gz PJFMWZKBINANHJ-OAQYLSRUSA-N 1 1 407.407 4.003 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000569564126 946891908 /nfs/dbraw/zinc/89/19/08/946891908.db2.gz IHGZKUWEIJUEEA-JOCHJYFZSA-N 1 1 410.926 4.365 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3ccncc3)C1)CCCCC2 ZINC000569969437 947057933 /nfs/dbraw/zinc/05/79/33/947057933.db2.gz ZUWQDZCHXQEOSP-SFHVURJKSA-N 1 1 408.571 4.492 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccccc1 ZINC000570621774 947318467 /nfs/dbraw/zinc/31/84/67/947318467.db2.gz GLZJRMDALIWGPJ-UHFFFAOYSA-N 1 1 406.461 4.093 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000570671142 947324731 /nfs/dbraw/zinc/32/47/31/947324731.db2.gz UADDOJPLRYSJRS-FPOVZHCZSA-N 1 1 404.432 4.130 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000570886324 947383701 /nfs/dbraw/zinc/38/37/01/947383701.db2.gz SSNOUMDRMKFEQK-LLVKDONJSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000570886324 947383715 /nfs/dbraw/zinc/38/37/15/947383715.db2.gz SSNOUMDRMKFEQK-LLVKDONJSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000572108877 947846058 /nfs/dbraw/zinc/84/60/58/947846058.db2.gz IYITWHKDZAPJRH-LLVKDONJSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000572108877 947846062 /nfs/dbraw/zinc/84/60/62/947846062.db2.gz IYITWHKDZAPJRH-LLVKDONJSA-N 1 1 400.338 4.125 20 30 HIEDMO C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000573274021 948135023 /nfs/dbraw/zinc/13/50/23/948135023.db2.gz IHBALHOIEBETSQ-UHFFFAOYSA-N 1 1 406.711 4.087 20 30 HIEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000573274021 948135031 /nfs/dbraw/zinc/13/50/31/948135031.db2.gz IHBALHOIEBETSQ-UHFFFAOYSA-N 1 1 406.711 4.087 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573360069 948165428 /nfs/dbraw/zinc/16/54/28/948165428.db2.gz CRQQWVCQULYOLP-MRXNPFEDSA-N 1 1 415.921 4.004 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573360069 948165436 /nfs/dbraw/zinc/16/54/36/948165436.db2.gz CRQQWVCQULYOLP-MRXNPFEDSA-N 1 1 415.921 4.004 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000574240390 948395768 /nfs/dbraw/zinc/39/57/68/948395768.db2.gz LPPFIPCZFNJXKW-LPHOPBHVSA-N 1 1 411.477 4.003 20 30 HIEDMO CS(=O)(=O)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000328608442 569419424 /nfs/dbraw/zinc/41/94/24/569419424.db2.gz ZATDBYVRNCVQPY-NFBKMPQASA-N 1 1 412.555 4.122 20 30 HIEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810225 720206626 /nfs/dbraw/zinc/20/66/26/720206626.db2.gz AOYPYYWJFDZBTD-HOYKHHGWSA-N 1 1 424.976 4.253 20 30 HIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811699 720207432 /nfs/dbraw/zinc/20/74/32/720207432.db2.gz JSSHASXSVFVSHS-MHECFPHRSA-N 1 1 424.976 4.253 20 30 HIEDMO Cc1ccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729027 720489333 /nfs/dbraw/zinc/48/93/33/720489333.db2.gz QRTXCQCKMFWONZ-LEWJYISDSA-N 1 1 403.917 4.317 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164842341 720727577 /nfs/dbraw/zinc/72/75/77/720727577.db2.gz YNESEPVQFOQPKN-QFIPXVFZSA-N 1 1 416.569 4.092 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)[C@@H]2C ZINC001164861357 720927715 /nfs/dbraw/zinc/92/77/15/720927715.db2.gz SVKIJKUMGRASNW-QGZVFWFLSA-N 1 1 418.520 4.377 20 30 HIEDMO C=CCOCc1nn(C)c2c1CN(c1ccc([C@H]3CCCC[N@@H+]3CCC)cn1)CC2 ZINC001164790296 721446904 /nfs/dbraw/zinc/44/69/04/721446904.db2.gz XXUUVMZUKNFKCL-JOCHJYFZSA-N 1 1 409.578 4.017 20 30 HIEDMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C#N)c(C)c1Cl ZINC001164908334 721746131 /nfs/dbraw/zinc/74/61/31/721746131.db2.gz GNRUEFPZODKOKK-UHFFFAOYSA-N 1 1 421.932 4.406 20 30 HIEDMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C#N)c(C)c1Cl ZINC001164908334 721746139 /nfs/dbraw/zinc/74/61/39/721746139.db2.gz GNRUEFPZODKOKK-UHFFFAOYSA-N 1 1 421.932 4.406 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164910482 721760958 /nfs/dbraw/zinc/76/09/58/721760958.db2.gz GKUDIRZIQSGORG-UHFFFAOYSA-N 1 1 413.525 4.015 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164910482 721760962 /nfs/dbraw/zinc/76/09/62/721760962.db2.gz GKUDIRZIQSGORG-UHFFFAOYSA-N 1 1 413.525 4.015 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]21 ZINC001165028951 721830019 /nfs/dbraw/zinc/83/00/19/721830019.db2.gz WAIBVYBOIRTFAW-DKSSEZFCSA-N 1 1 416.356 4.392 20 30 HIEDMO N#CC1(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996611 722206841 /nfs/dbraw/zinc/20/68/41/722206841.db2.gz UJNKGIZPCHHOEA-RUZDIDTESA-N 1 1 420.532 4.037 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000015144272 846013233 /nfs/dbraw/zinc/01/32/33/846013233.db2.gz TVQUDZPCWKOJMX-GFCCVEGCSA-N 1 1 423.847 4.281 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000015144272 846013242 /nfs/dbraw/zinc/01/32/42/846013242.db2.gz TVQUDZPCWKOJMX-GFCCVEGCSA-N 1 1 423.847 4.281 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016379927 846162354 /nfs/dbraw/zinc/16/23/54/846162354.db2.gz PJBBPYIYHFWKJN-VWLOTQADSA-N 1 1 408.542 4.076 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016379927 846162356 /nfs/dbraw/zinc/16/23/56/846162356.db2.gz PJBBPYIYHFWKJN-VWLOTQADSA-N 1 1 408.542 4.076 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000017517665 846256105 /nfs/dbraw/zinc/25/61/05/846256105.db2.gz UENKZPNCLRMCJX-UHFFFAOYSA-N 1 1 402.926 4.255 20 30 HIEDMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)n2c3ccccc3nc2c1C#N ZINC000024949946 846895038 /nfs/dbraw/zinc/89/50/38/846895038.db2.gz UTVYHISBIHXGOY-UHFFFAOYSA-N 1 1 411.509 4.112 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026347086 847130475 /nfs/dbraw/zinc/13/04/75/847130475.db2.gz GYLHOWYQXWDEHW-UHFFFAOYSA-N 1 1 412.515 4.257 20 30 HIEDMO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961453 847484539 /nfs/dbraw/zinc/48/45/39/847484539.db2.gz RWOBDEWBFSPFHU-HXUWFJFHSA-N 1 1 412.537 4.246 20 30 HIEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+](CC)C1CC1)c1ccc2c(c1)OCCO2 ZINC000029912997 847649421 /nfs/dbraw/zinc/64/94/21/847649421.db2.gz IVLSINAKXNCCGQ-UHFFFAOYSA-N 1 1 422.525 4.040 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643474 848338471 /nfs/dbraw/zinc/33/84/71/848338471.db2.gz XLKKVUQBHMUYQC-FQEVSTJZSA-N 1 1 418.585 4.218 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127609 848989181 /nfs/dbraw/zinc/98/91/81/848989181.db2.gz MGTAXFLHBIWFDH-OYRHEFFESA-N 1 1 407.558 4.194 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127609 848989184 /nfs/dbraw/zinc/98/91/84/848989184.db2.gz MGTAXFLHBIWFDH-OYRHEFFESA-N 1 1 407.558 4.194 20 30 HIEDMO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048121453 849171354 /nfs/dbraw/zinc/17/13/54/849171354.db2.gz WYDFJAZWFYPOTM-UHFFFAOYSA-N 1 1 406.530 4.394 20 30 HIEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000051059337 849430468 /nfs/dbraw/zinc/43/04/68/849430468.db2.gz NBXPBPNMUGMYBU-UONOGXRCSA-N 1 1 406.527 4.040 20 30 HIEDMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000051059337 849430472 /nfs/dbraw/zinc/43/04/72/849430472.db2.gz NBXPBPNMUGMYBU-UONOGXRCSA-N 1 1 406.527 4.040 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000055512820 850043040 /nfs/dbraw/zinc/04/30/40/850043040.db2.gz WAFXAIHZMUVHQM-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000055512820 850043047 /nfs/dbraw/zinc/04/30/47/850043047.db2.gz WAFXAIHZMUVHQM-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000055889966 850196150 /nfs/dbraw/zinc/19/61/50/850196150.db2.gz JQFFSCRYHAWCLU-NHCUHLMSSA-N 1 1 402.325 4.481 20 30 HIEDMO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000055889964 850196299 /nfs/dbraw/zinc/19/62/99/850196299.db2.gz JQFFSCRYHAWCLU-LEWJYISDSA-N 1 1 402.325 4.481 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000056458840 850369600 /nfs/dbraw/zinc/36/96/00/850369600.db2.gz LPUIBSSTUDCTJI-UHFFFAOYSA-N 1 1 416.447 4.041 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490828 850837884 /nfs/dbraw/zinc/83/78/84/850837884.db2.gz UIBBUZLYORUIBO-GOSISDBHSA-N 1 1 423.538 4.045 20 30 HIEDMO CCCCN(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063536701 851709875 /nfs/dbraw/zinc/70/98/75/851709875.db2.gz RTKBNHXOKYKTIM-UHFFFAOYSA-N 1 1 404.558 4.143 20 30 HIEDMO CCCCN(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063536701 851709880 /nfs/dbraw/zinc/70/98/80/851709880.db2.gz RTKBNHXOKYKTIM-UHFFFAOYSA-N 1 1 404.558 4.143 20 30 HIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560022 851714107 /nfs/dbraw/zinc/71/41/07/851714107.db2.gz ARZUAXJGGIPMRE-UHFFFAOYSA-N 1 1 412.515 4.256 20 30 HIEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 ZINC000063750469 851754738 /nfs/dbraw/zinc/75/47/38/851754738.db2.gz ILKKVCRDMBPYGX-HSZRJFAPSA-N 1 1 421.541 4.150 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC(F)F ZINC000097221290 852591477 /nfs/dbraw/zinc/59/14/77/852591477.db2.gz SXKSXTJWULOROM-JXORXQGFSA-N 1 1 423.504 4.048 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC(F)F ZINC000097221290 852591481 /nfs/dbraw/zinc/59/14/81/852591481.db2.gz SXKSXTJWULOROM-JXORXQGFSA-N 1 1 423.504 4.048 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097359731 852604828 /nfs/dbraw/zinc/60/48/28/852604828.db2.gz ZKAIQGOTJPUFDO-UHFFFAOYSA-N 1 1 417.475 4.397 20 30 HIEDMO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000105418869 852704716 /nfs/dbraw/zinc/70/47/16/852704716.db2.gz XNQHEHAMFDFNCI-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000105418869 852704718 /nfs/dbraw/zinc/70/47/18/852704718.db2.gz XNQHEHAMFDFNCI-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423653 852704725 /nfs/dbraw/zinc/70/47/25/852704725.db2.gz WGMYXRWUNCFYSY-FQEVSTJZSA-N 1 1 413.905 4.395 20 30 HIEDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000105729402 852725079 /nfs/dbraw/zinc/72/50/79/852725079.db2.gz INUQFKYQRANPCJ-SFHVURJKSA-N 1 1 420.513 4.258 20 30 HIEDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000105729402 852725090 /nfs/dbraw/zinc/72/50/90/852725090.db2.gz INUQFKYQRANPCJ-SFHVURJKSA-N 1 1 420.513 4.258 20 30 HIEDMO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000106319933 852770098 /nfs/dbraw/zinc/77/00/98/852770098.db2.gz KUAUKGUJTUSGIZ-NRFANRHFSA-N 1 1 424.548 4.166 20 30 HIEDMO Cc1cc(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000108060519 852820180 /nfs/dbraw/zinc/82/01/80/852820180.db2.gz GZDVFMOPYRFCSL-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1cc(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000108060519 852820182 /nfs/dbraw/zinc/82/01/82/852820182.db2.gz GZDVFMOPYRFCSL-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000108122234 852823877 /nfs/dbraw/zinc/82/38/77/852823877.db2.gz NSRADVGCJPKXMQ-HNNXBMFYSA-N 1 1 414.937 4.392 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000108171305 852827037 /nfs/dbraw/zinc/82/70/37/852827037.db2.gz SPZHLKJBLLYTOK-LJQANCHMSA-N 1 1 404.297 4.267 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000108171305 852827042 /nfs/dbraw/zinc/82/70/42/852827042.db2.gz SPZHLKJBLLYTOK-LJQANCHMSA-N 1 1 404.297 4.267 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000437232081 862435288 /nfs/dbraw/zinc/43/52/88/862435288.db2.gz AHLOWCAAKHTWEW-UHFFFAOYSA-N 1 1 410.587 4.336 20 30 HIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H](O)c1ccc(F)cc1 ZINC000112654578 853236546 /nfs/dbraw/zinc/23/65/46/853236546.db2.gz VVZGOLHQNKKXIJ-NRFANRHFSA-N 1 1 417.912 4.371 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000116729808 853330568 /nfs/dbraw/zinc/33/05/68/853330568.db2.gz ULUBVVCVCPOYAL-QFIPXVFZSA-N 1 1 422.573 4.049 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CCCCC2)cc1OC ZINC000195732993 853784013 /nfs/dbraw/zinc/78/40/13/853784013.db2.gz MHOCQSGVKPMNKM-UHFFFAOYSA-N 1 1 413.543 4.410 20 30 HIEDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 ZINC000217146462 853860489 /nfs/dbraw/zinc/86/04/89/853860489.db2.gz IGOKOZYBMQBBGA-MRXNPFEDSA-N 1 1 415.921 4.263 20 30 HIEDMO CCc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236980168 853946221 /nfs/dbraw/zinc/94/62/21/853946221.db2.gz LNAIYPXHKOCGCY-DEOSSOPVSA-N 1 1 404.535 4.403 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236982325 853946633 /nfs/dbraw/zinc/94/66/33/853946633.db2.gz DGQMIYMWSUXAIH-RBUKOAKNSA-N 1 1 410.537 4.109 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000237216409 853984522 /nfs/dbraw/zinc/98/45/22/853984522.db2.gz XAHOXKPWZHNWSO-BGYRXZFFSA-N 1 1 410.558 4.159 20 30 HIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237501428 854046194 /nfs/dbraw/zinc/04/61/94/854046194.db2.gz JBMBSMAXTAWBJM-UUOWRZLLSA-N 1 1 420.534 4.260 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNc3nc(C(F)(F)F)ccc3C#N)CC2)cs1 ZINC000301308252 854354324 /nfs/dbraw/zinc/35/43/24/854354324.db2.gz WJJJJTNICDBFFV-UHFFFAOYSA-N 1 1 409.481 4.315 20 30 HIEDMO N#Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301411028 854386541 /nfs/dbraw/zinc/38/65/41/854386541.db2.gz PAICDSFCIICNHY-OAHLLOKOSA-N 1 1 407.499 4.400 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781314 854464660 /nfs/dbraw/zinc/46/46/60/854464660.db2.gz JHYATTVPTACXOC-HNAYVOBHSA-N 1 1 417.479 4.412 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781314 854464667 /nfs/dbraw/zinc/46/46/67/854464667.db2.gz JHYATTVPTACXOC-HNAYVOBHSA-N 1 1 417.479 4.412 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303331670 854876083 /nfs/dbraw/zinc/87/60/83/854876083.db2.gz BSPXAIZRUKAKJW-UHFFFAOYSA-N 1 1 406.313 4.078 20 30 HIEDMO C=C(C)COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000437350050 862627431 /nfs/dbraw/zinc/62/74/31/862627431.db2.gz ZSNINDJSKJDPLM-WZONZLPQSA-N 1 1 417.571 4.223 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000303502842 854990782 /nfs/dbraw/zinc/99/07/82/854990782.db2.gz VIEACYBVDNTPNW-UXHICEINSA-N 1 1 422.598 4.226 20 30 HIEDMO C=CCOc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303518273 855006797 /nfs/dbraw/zinc/00/67/97/855006797.db2.gz YKPABVUWKDJFKQ-NOTZXAQLSA-N 1 1 405.542 4.246 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844800 855242127 /nfs/dbraw/zinc/24/21/27/855242127.db2.gz NMEVDWPXSFXECM-SFHVURJKSA-N 1 1 422.460 4.014 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000409572835 855546570 /nfs/dbraw/zinc/54/65/70/855546570.db2.gz CTAQXWMPGYHVFS-HNNXBMFYSA-N 1 1 412.347 4.018 20 30 HIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000410315986 855924852 /nfs/dbraw/zinc/92/48/52/855924852.db2.gz YAKQULARFRCKOB-UHFFFAOYSA-N 1 1 417.859 4.330 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000426445615 856295089 /nfs/dbraw/zinc/29/50/89/856295089.db2.gz NPRZWQLHIKMKTG-DEOSSOPVSA-N 1 1 422.598 4.163 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000426456654 856299453 /nfs/dbraw/zinc/29/94/53/856299453.db2.gz DKDNVOYVNCEKGB-UHFFFAOYSA-N 1 1 411.412 4.164 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426849749 856511922 /nfs/dbraw/zinc/51/19/22/856511922.db2.gz VZQWZPXDRWDOAB-JOCHJYFZSA-N 1 1 405.889 4.052 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428258086 857129539 /nfs/dbraw/zinc/12/95/39/857129539.db2.gz DGJATRNFAJOECV-WMZHIEFXSA-N 1 1 422.598 4.144 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428258078 857129942 /nfs/dbraw/zinc/12/99/42/857129942.db2.gz DGJATRNFAJOECV-AUSIDOKSSA-N 1 1 422.598 4.144 20 30 HIEDMO C=CC[N@H+](C)Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000428392023 857187991 /nfs/dbraw/zinc/18/79/91/857187991.db2.gz SDLABEJQLVEBRM-UHFFFAOYSA-N 1 1 414.458 4.057 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1OCC ZINC000428456452 857209058 /nfs/dbraw/zinc/20/90/58/857209058.db2.gz HZVRPGDXUKKHPE-HXUWFJFHSA-N 1 1 412.368 4.397 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@](CC)(CO)C2)cc1OCC ZINC000428456452 857209069 /nfs/dbraw/zinc/20/90/69/857209069.db2.gz HZVRPGDXUKKHPE-HXUWFJFHSA-N 1 1 412.368 4.397 20 30 HIEDMO C=C(C)COc1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546603 857255943 /nfs/dbraw/zinc/25/59/43/857255943.db2.gz KYRLEMGUNLGKIE-HSZRJFAPSA-N 1 1 410.558 4.031 20 30 HIEDMO C=C(C)COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1OC ZINC000428546603 857255955 /nfs/dbraw/zinc/25/59/55/857255955.db2.gz KYRLEMGUNLGKIE-HSZRJFAPSA-N 1 1 410.558 4.031 20 30 HIEDMO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428666199 857293101 /nfs/dbraw/zinc/29/31/01/857293101.db2.gz GXJMEZZKRXYAFJ-LJQANCHMSA-N 1 1 408.452 4.088 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000437584811 862899399 /nfs/dbraw/zinc/89/93/99/862899399.db2.gz YIMLRFDXJBOVBS-MRXNPFEDSA-N 1 1 408.386 4.143 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000429048842 857475920 /nfs/dbraw/zinc/47/59/20/857475920.db2.gz UATVZPDMLDMIBZ-NRFANRHFSA-N 1 1 421.545 4.259 20 30 HIEDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000429274402 857586411 /nfs/dbraw/zinc/58/64/11/857586411.db2.gz PFAXRKDLVGBPHO-FQEVSTJZSA-N 1 1 410.587 4.038 20 30 HIEDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000429274402 857586420 /nfs/dbraw/zinc/58/64/20/857586420.db2.gz PFAXRKDLVGBPHO-FQEVSTJZSA-N 1 1 410.587 4.038 20 30 HIEDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000429291706 857593319 /nfs/dbraw/zinc/59/33/19/857593319.db2.gz IVQLSDKMGNRREI-KRWDZBQOSA-N 1 1 414.550 4.118 20 30 HIEDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000429291706 857593327 /nfs/dbraw/zinc/59/33/27/857593327.db2.gz IVQLSDKMGNRREI-KRWDZBQOSA-N 1 1 414.550 4.118 20 30 HIEDMO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+](C2CCC2)C1 ZINC000429396922 857641636 /nfs/dbraw/zinc/64/16/36/857641636.db2.gz XTWLKMMSURGLIH-QGZVFWFLSA-N 1 1 414.619 4.023 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429785718 857883743 /nfs/dbraw/zinc/88/37/43/857883743.db2.gz RUXUPKGNBXKWLO-UHFFFAOYSA-N 1 1 407.562 4.048 20 30 HIEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCc1ccccc1 ZINC000430178766 858068664 /nfs/dbraw/zinc/06/86/64/858068664.db2.gz NBELRNAUZAMWKG-QFIPXVFZSA-N 1 1 415.493 4.194 20 30 HIEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183485 858070368 /nfs/dbraw/zinc/07/03/68/858070368.db2.gz CVEHVJBGKPTPTI-QHCPKHFHSA-N 1 1 414.509 4.197 20 30 HIEDMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000430193883 858076265 /nfs/dbraw/zinc/07/62/65/858076265.db2.gz GUGRJMATPFSUSZ-UHFFFAOYSA-N 1 1 422.476 4.047 20 30 HIEDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000430193883 858076269 /nfs/dbraw/zinc/07/62/69/858076269.db2.gz GUGRJMATPFSUSZ-UHFFFAOYSA-N 1 1 422.476 4.047 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000430652266 858249669 /nfs/dbraw/zinc/24/96/69/858249669.db2.gz HLTFXYFUKOAUEK-REWPJTCUSA-N 1 1 405.542 4.277 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719169 858277927 /nfs/dbraw/zinc/27/79/27/858277927.db2.gz YTZUMIGLHZOEMU-SJLPKXTDSA-N 1 1 408.468 4.081 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430926004 858372866 /nfs/dbraw/zinc/37/28/66/858372866.db2.gz MWIJGQKZFCUZMV-QPPBQGQZSA-N 1 1 405.542 4.045 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430926004 858372870 /nfs/dbraw/zinc/37/28/70/858372870.db2.gz MWIJGQKZFCUZMV-QPPBQGQZSA-N 1 1 405.542 4.045 20 30 HIEDMO C=CCN1C(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165825 858481878 /nfs/dbraw/zinc/48/18/78/858481878.db2.gz HHAUWKQEGWDOJA-RBBKRZOGSA-N 1 1 423.582 4.022 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673270 858730212 /nfs/dbraw/zinc/73/02/12/858730212.db2.gz MHQIMYWLYPUWCB-REWPJTCUSA-N 1 1 407.558 4.446 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433361283 859660356 /nfs/dbraw/zinc/66/03/56/859660356.db2.gz CGYDKQVIEORBLJ-JQVVWYNYSA-N 1 1 413.924 4.361 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434348159 860304523 /nfs/dbraw/zinc/30/45/23/860304523.db2.gz DKIYWGYVYYIWBA-DEOSSOPVSA-N 1 1 420.532 4.426 20 30 HIEDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434375531 860321356 /nfs/dbraw/zinc/32/13/56/860321356.db2.gz XOSSKJLUHYFDPY-LJQANCHMSA-N 1 1 420.557 4.038 20 30 HIEDMO C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434375531 860321362 /nfs/dbraw/zinc/32/13/62/860321362.db2.gz XOSSKJLUHYFDPY-LJQANCHMSA-N 1 1 420.557 4.038 20 30 HIEDMO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000434871027 860529220 /nfs/dbraw/zinc/52/92/20/860529220.db2.gz UVAZZMRFRNITBQ-GLDPYIMESA-N 1 1 405.542 4.040 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000434902038 860546515 /nfs/dbraw/zinc/54/65/15/860546515.db2.gz GUOQWCMPHTXVLZ-UHFFFAOYSA-N 1 1 413.562 4.003 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1OC ZINC000435060106 860621667 /nfs/dbraw/zinc/62/16/67/860621667.db2.gz YACOTHQSNUYECY-QGZVFWFLSA-N 1 1 419.319 4.071 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1OC ZINC000435060106 860621673 /nfs/dbraw/zinc/62/16/73/860621673.db2.gz YACOTHQSNUYECY-QGZVFWFLSA-N 1 1 419.319 4.071 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124286 860651740 /nfs/dbraw/zinc/65/17/40/860651740.db2.gz NVMMIWXQSGULEN-HSZRJFAPSA-N 1 1 401.514 4.040 20 30 HIEDMO C[N@H+](Cc1csc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435135701 860658575 /nfs/dbraw/zinc/65/85/75/860658575.db2.gz UDMBFMFVMYLKQM-UHFFFAOYSA-N 1 1 416.348 4.315 20 30 HIEDMO C[N@@H+](Cc1csc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435135701 860658578 /nfs/dbraw/zinc/65/85/78/860658578.db2.gz UDMBFMFVMYLKQM-UHFFFAOYSA-N 1 1 416.348 4.315 20 30 HIEDMO N#CCCn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccncc2)n1 ZINC000435138447 860660222 /nfs/dbraw/zinc/66/02/22/860660222.db2.gz RWVDUXAUDUQQSB-UHFFFAOYSA-N 1 1 413.481 4.360 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccncc2)n1 ZINC000435138447 860660224 /nfs/dbraw/zinc/66/02/24/860660224.db2.gz RWVDUXAUDUQQSB-UHFFFAOYSA-N 1 1 413.481 4.360 20 30 HIEDMO N#CCSc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435366315 860765303 /nfs/dbraw/zinc/76/53/03/860765303.db2.gz LBFTZXUGYWTACY-HXUWFJFHSA-N 1 1 417.538 4.198 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000435383625 860778622 /nfs/dbraw/zinc/77/86/22/860778622.db2.gz JKBIEHGTHNXPMM-ROUUACIJSA-N 1 1 407.514 4.207 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000435562322 860883963 /nfs/dbraw/zinc/88/39/63/860883963.db2.gz DQNFLWOWKZMLNL-SFHVURJKSA-N 1 1 400.526 4.157 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437763697 863084638 /nfs/dbraw/zinc/08/46/38/863084638.db2.gz MNQGPQPXRZLYLR-SEVLPDGMSA-N 1 1 423.960 4.283 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437763697 863084657 /nfs/dbraw/zinc/08/46/57/863084657.db2.gz MNQGPQPXRZLYLR-SEVLPDGMSA-N 1 1 423.960 4.283 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437825421 863170880 /nfs/dbraw/zinc/17/08/80/863170880.db2.gz ACIISJZDCWMIPA-NRFANRHFSA-N 1 1 406.530 4.333 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000437897264 863268409 /nfs/dbraw/zinc/26/84/09/863268409.db2.gz NNIWXKLLIPURKR-WIYYLYMNSA-N 1 1 406.530 4.278 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000437968444 863337961 /nfs/dbraw/zinc/33/79/61/863337961.db2.gz DKVMPPSMDUEVMF-SFHVURJKSA-N 1 1 414.456 4.145 20 30 HIEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437992290 863354439 /nfs/dbraw/zinc/35/44/39/863354439.db2.gz ZPWVIHNJHAXEAN-UHFFFAOYSA-N 1 1 421.476 4.383 20 30 HIEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636256 864068322 /nfs/dbraw/zinc/06/83/22/864068322.db2.gz KBQBKUJRTYSMJC-SFHVURJKSA-N 1 1 402.420 4.363 20 30 HIEDMO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(F)(F)F ZINC000438654919 864096020 /nfs/dbraw/zinc/09/60/20/864096020.db2.gz WQGBUCFCBZSATO-QGZVFWFLSA-N 1 1 416.447 4.263 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000439064162 864514019 /nfs/dbraw/zinc/51/40/19/864514019.db2.gz DOVPSONBXNEGOP-MRXNPFEDSA-N 1 1 408.477 4.071 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000439064162 864514040 /nfs/dbraw/zinc/51/40/40/864514040.db2.gz DOVPSONBXNEGOP-MRXNPFEDSA-N 1 1 408.477 4.071 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC000439249279 864667317 /nfs/dbraw/zinc/66/73/17/864667317.db2.gz RLWHYEOSHWQVTA-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC000439249279 864667336 /nfs/dbraw/zinc/66/73/36/864667336.db2.gz RLWHYEOSHWQVTA-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO CC[C@@](C)(O)C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000439258450 864674560 /nfs/dbraw/zinc/67/45/60/864674560.db2.gz IIANARXLCPKXOL-RUZDIDTESA-N 1 1 403.526 4.401 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439440075 864832326 /nfs/dbraw/zinc/83/23/26/864832326.db2.gz PMYYVGRIHLEEGU-OAHLLOKOSA-N 1 1 404.967 4.083 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439440075 864832334 /nfs/dbraw/zinc/83/23/34/864832334.db2.gz PMYYVGRIHLEEGU-OAHLLOKOSA-N 1 1 404.967 4.083 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 ZINC000439461895 864841188 /nfs/dbraw/zinc/84/11/88/864841188.db2.gz MZBVBCIHEMEDBZ-INIZCTEOSA-N 1 1 400.885 4.384 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2COc2ccccc2Cl)C(N)=O)cc1 ZINC000439639611 864966918 /nfs/dbraw/zinc/96/69/18/864966918.db2.gz LEYQKHXNCRJGCI-QFIPXVFZSA-N 1 1 405.885 4.107 20 30 HIEDMO C=CCC[C@@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000440875865 865971249 /nfs/dbraw/zinc/97/12/49/865971249.db2.gz PKDIBMGWDAAWPJ-QGZVFWFLSA-N 1 1 409.456 4.012 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441076074 866168140 /nfs/dbraw/zinc/16/81/40/866168140.db2.gz QNRNOGSMLCZZTI-AWEZNQCLSA-N 1 1 411.449 4.301 20 30 HIEDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000441076781 866170824 /nfs/dbraw/zinc/17/08/24/866170824.db2.gz YMPRBPWIFHSPIJ-SFHVURJKSA-N 1 1 411.571 4.100 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095803 866191203 /nfs/dbraw/zinc/19/12/03/866191203.db2.gz RPINJRLTLFXSBY-HOCLYGCPSA-N 1 1 420.460 4.018 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095803 866191213 /nfs/dbraw/zinc/19/12/13/866191213.db2.gz RPINJRLTLFXSBY-HOCLYGCPSA-N 1 1 420.460 4.018 20 30 HIEDMO CS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133983 866227107 /nfs/dbraw/zinc/22/71/07/866227107.db2.gz IIGLHUXVOFCDHB-LJQANCHMSA-N 1 1 414.575 4.164 20 30 HIEDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441232721 866308624 /nfs/dbraw/zinc/30/86/24/866308624.db2.gz YTCOPNNFULZGEU-JKSUJKDBSA-N 1 1 410.905 4.076 20 30 HIEDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441281224 866356962 /nfs/dbraw/zinc/35/69/62/866356962.db2.gz TUVJHMQAENDOBT-LSDHHAIUSA-N 1 1 420.340 4.118 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329811 866401416 /nfs/dbraw/zinc/40/14/16/866401416.db2.gz DTMXVXDBXLXXGR-FDDCHVKYSA-N 1 1 408.521 4.364 20 30 HIEDMO N#Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442217874 867241792 /nfs/dbraw/zinc/24/17/92/867241792.db2.gz QGNWFXMRKARJBA-UHFFFAOYSA-N 1 1 418.419 4.197 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961565 867765630 /nfs/dbraw/zinc/76/56/30/867765630.db2.gz BJZFZRMPHSTPBI-FXAWDEMLSA-N 1 1 417.431 4.096 20 30 HIEDMO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)C[C@@H]1CCCCO1 ZINC000443121272 867829948 /nfs/dbraw/zinc/82/99/48/867829948.db2.gz XMEMRHNQTWFAIM-QFIPXVFZSA-N 1 1 407.514 4.296 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)C[C@@H]1CCCCO1 ZINC000443121272 867829950 /nfs/dbraw/zinc/82/99/50/867829950.db2.gz XMEMRHNQTWFAIM-QFIPXVFZSA-N 1 1 407.514 4.296 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000443536522 868096201 /nfs/dbraw/zinc/09/62/01/868096201.db2.gz AUOKUTLZZYBVAW-QHCPKHFHSA-N 1 1 409.938 4.474 20 30 HIEDMO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1C#N ZINC000444004510 868526004 /nfs/dbraw/zinc/52/60/04/868526004.db2.gz MHRALOSKIFAGDR-QHCPKHFHSA-N 1 1 408.498 4.289 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444204403 868665177 /nfs/dbraw/zinc/66/51/77/868665177.db2.gz IGHBZLJKJLWLCN-IEBWSBKVSA-N 1 1 401.576 4.443 20 30 HIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000444236744 868686019 /nfs/dbraw/zinc/68/60/19/868686019.db2.gz JJKDANPAQKTPOQ-MRXNPFEDSA-N 1 1 411.571 4.399 20 30 HIEDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667206 868945796 /nfs/dbraw/zinc/94/57/96/868945796.db2.gz SIHSNEZJBQZKBP-SDHSZQHLSA-N 1 1 403.570 4.070 20 30 HIEDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444741592 868984499 /nfs/dbraw/zinc/98/44/99/868984499.db2.gz HTDMVXRPRCOCQJ-NSHDSACASA-N 1 1 410.280 4.309 20 30 HIEDMO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c(F)c1 ZINC000445799276 869829051 /nfs/dbraw/zinc/82/90/51/869829051.db2.gz VJSVEWVFNFBCEX-KRWDZBQOSA-N 1 1 403.860 4.274 20 30 HIEDMO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(F)c1 ZINC000445799276 869829052 /nfs/dbraw/zinc/82/90/52/869829052.db2.gz VJSVEWVFNFBCEX-KRWDZBQOSA-N 1 1 403.860 4.274 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895082 869876614 /nfs/dbraw/zinc/87/66/14/869876614.db2.gz DXYXUEWICJRZNP-GOSISDBHSA-N 1 1 414.303 4.105 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000446519295 870437939 /nfs/dbraw/zinc/43/79/39/870437939.db2.gz GTIPVJKLWRZEMI-UHFFFAOYSA-N 1 1 417.962 4.280 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000446519295 870437946 /nfs/dbraw/zinc/43/79/46/870437946.db2.gz GTIPVJKLWRZEMI-UHFFFAOYSA-N 1 1 417.962 4.280 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)c1 ZINC000446832109 870747702 /nfs/dbraw/zinc/74/77/02/870747702.db2.gz MBHDLEVWBWBEDM-UHFFFAOYSA-N 1 1 413.437 4.212 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000447842765 871768844 /nfs/dbraw/zinc/76/88/44/871768844.db2.gz CUWZCCZXGDHRCC-OXQOHEQNSA-N 1 1 400.567 4.046 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000447842765 871768866 /nfs/dbraw/zinc/76/88/66/871768866.db2.gz CUWZCCZXGDHRCC-OXQOHEQNSA-N 1 1 400.567 4.046 20 30 HIEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000448252376 872170405 /nfs/dbraw/zinc/17/04/05/872170405.db2.gz OIHVDOXIGUSPOG-UHFFFAOYSA-N 1 1 414.509 4.373 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460786515 873644354 /nfs/dbraw/zinc/64/43/54/873644354.db2.gz KCXITTYUFGLQNS-AEFFLSMTSA-N 1 1 417.985 4.492 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460791946 873657138 /nfs/dbraw/zinc/65/71/38/873657138.db2.gz HXQOHGXHLIBOQU-FHWLQOOXSA-N 1 1 415.557 4.442 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460801305 873673498 /nfs/dbraw/zinc/67/34/98/873673498.db2.gz WCCFATFSFZJHAT-LVCYWYKZSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460942865 873842919 /nfs/dbraw/zinc/84/29/19/873842919.db2.gz FOHRWIXCJBCOQQ-UHFFFAOYSA-N 1 1 420.561 4.149 20 30 HIEDMO COc1ccc(OC)c(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)c1 ZINC000461442915 874498873 /nfs/dbraw/zinc/49/88/73/874498873.db2.gz MHXPTQZZVFUXMX-UHFFFAOYSA-N 1 1 416.525 4.063 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448168 874506063 /nfs/dbraw/zinc/50/60/63/874506063.db2.gz KFZXEHSLANGGOF-DNQXCXABSA-N 1 1 417.553 4.088 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448164 874506462 /nfs/dbraw/zinc/50/64/62/874506462.db2.gz KFZXEHSLANGGOF-BJKOFHAPSA-N 1 1 417.553 4.088 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cc1 ZINC000461459803 874520255 /nfs/dbraw/zinc/52/02/55/874520255.db2.gz FDYZFHWUIALXES-UHFFFAOYSA-N 1 1 400.526 4.444 20 30 HIEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000461710126 874858693 /nfs/dbraw/zinc/85/86/93/874858693.db2.gz ZUPBUQUPOTTXCO-ROUUACIJSA-N 1 1 406.530 4.242 20 30 HIEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000461710124 874859016 /nfs/dbraw/zinc/85/90/16/874859016.db2.gz ZUPBUQUPOTTXCO-HDICACEKSA-N 1 1 406.530 4.242 20 30 HIEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000461710124 874859017 /nfs/dbraw/zinc/85/90/17/874859017.db2.gz ZUPBUQUPOTTXCO-HDICACEKSA-N 1 1 406.530 4.242 20 30 HIEDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067424 875178313 /nfs/dbraw/zinc/17/83/13/875178313.db2.gz NDHNOYMYGVBFNJ-YWZLYKJASA-N 1 1 401.432 4.071 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462239316 875353966 /nfs/dbraw/zinc/35/39/66/875353966.db2.gz RWCHUPAPSIBXMZ-SFHVURJKSA-N 1 1 421.545 4.079 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462258142 875381556 /nfs/dbraw/zinc/38/15/56/875381556.db2.gz QRPRXEQIUHKUPD-VAXXYWNWSA-N 1 1 404.558 4.124 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462258142 875381572 /nfs/dbraw/zinc/38/15/72/875381572.db2.gz QRPRXEQIUHKUPD-VAXXYWNWSA-N 1 1 404.558 4.124 20 30 HIEDMO OC[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870069 875898990 /nfs/dbraw/zinc/89/89/90/875898990.db2.gz YSQOLASWKMIVEW-AAEUAGOBSA-N 1 1 407.301 4.008 20 30 HIEDMO OC[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870071 875899219 /nfs/dbraw/zinc/89/92/19/875899219.db2.gz YSQOLASWKMIVEW-WCQYABFASA-N 1 1 407.301 4.008 20 30 HIEDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468915901 882975801 /nfs/dbraw/zinc/97/58/01/882975801.db2.gz JIFCYLKNVIFXBJ-BVAGGSTKSA-N 1 1 414.505 4.106 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1OCC ZINC000463025816 876045555 /nfs/dbraw/zinc/04/55/55/876045555.db2.gz SHHWACBEEWDYOK-INIZCTEOSA-N 1 1 406.324 4.056 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1OCC ZINC000463025816 876045576 /nfs/dbraw/zinc/04/55/76/876045576.db2.gz SHHWACBEEWDYOK-INIZCTEOSA-N 1 1 406.324 4.056 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1C ZINC000463195173 876254181 /nfs/dbraw/zinc/25/41/81/876254181.db2.gz VUCFLCSLHYDWHO-LJAMWKNPSA-N 1 1 411.590 4.202 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463209007 876270272 /nfs/dbraw/zinc/27/02/72/876270272.db2.gz HPTRHBCKXVCIOD-JYRKZWEQSA-N 1 1 415.603 4.425 20 30 HIEDMO C[N@H+](CCOCC(F)(F)C(F)F)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000468983545 883050316 /nfs/dbraw/zinc/05/03/16/883050316.db2.gz OGPXAFMLCKBRHO-UHFFFAOYSA-N 1 1 424.744 4.146 20 30 HIEDMO C[N@@H+](CCOCC(F)(F)C(F)F)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000468983545 883050337 /nfs/dbraw/zinc/05/03/37/883050337.db2.gz OGPXAFMLCKBRHO-UHFFFAOYSA-N 1 1 424.744 4.146 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503262032 912243002 /nfs/dbraw/zinc/24/30/02/912243002.db2.gz JIHMSJHCCCJFAB-OAQYLSRUSA-N 1 1 419.550 4.096 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464850897 878127673 /nfs/dbraw/zinc/12/76/73/878127673.db2.gz PIMCZKHIYVSDGC-NHCUHLMSSA-N 1 1 422.548 4.057 20 30 HIEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000465363176 878803503 /nfs/dbraw/zinc/80/35/03/878803503.db2.gz IHDSSJNHPQCUIE-UHFFFAOYSA-N 1 1 414.465 4.103 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503413091 912397824 /nfs/dbraw/zinc/39/78/24/912397824.db2.gz RVODMEGUQCPVOR-GOSISDBHSA-N 1 1 403.448 4.349 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437103 912445423 /nfs/dbraw/zinc/44/54/23/912445423.db2.gz WWYMYJYRQIKIKZ-MOPGFXCFSA-N 1 1 412.603 4.064 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000465887068 879542061 /nfs/dbraw/zinc/54/20/61/879542061.db2.gz GUHYWLLQFXZPMH-ICDZXHCJSA-N 1 1 416.569 4.032 20 30 HIEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000466004791 879682695 /nfs/dbraw/zinc/68/26/95/879682695.db2.gz BGLWLWFOZOJESQ-UHFFFAOYSA-N 1 1 417.513 4.439 20 30 HIEDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466006330 879687016 /nfs/dbraw/zinc/68/70/16/879687016.db2.gz NVTYNGVRNLOMNI-UHFFFAOYSA-N 1 1 419.504 4.395 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000503464756 912496188 /nfs/dbraw/zinc/49/61/88/912496188.db2.gz RHKGOQUQLNFIAL-HXUWFJFHSA-N 1 1 409.555 4.135 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466106441 879821903 /nfs/dbraw/zinc/82/19/03/879821903.db2.gz RZTPAAINTRHKJP-IRLDBZIGSA-N 1 1 408.571 4.400 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cc(Cl)cn3C)sc2C1 ZINC000466945545 880718273 /nfs/dbraw/zinc/71/82/73/880718273.db2.gz CNRYXAJMBYGRHG-CYBMUJFWSA-N 1 1 404.967 4.197 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469281121 883379103 /nfs/dbraw/zinc/37/91/03/883379103.db2.gz NPAKUQNMYUKWJR-OAQYLSRUSA-N 1 1 414.509 4.197 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469298340 883395271 /nfs/dbraw/zinc/39/52/71/883395271.db2.gz KBIYQDKPWXUPQT-QUCCMNQESA-N 1 1 409.555 4.168 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469298340 883395290 /nfs/dbraw/zinc/39/52/90/883395290.db2.gz KBIYQDKPWXUPQT-QUCCMNQESA-N 1 1 409.555 4.168 20 30 HIEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000469742226 883897361 /nfs/dbraw/zinc/89/73/61/883897361.db2.gz BIYSMCAUGRJPHI-UHFFFAOYSA-N 1 1 402.376 4.138 20 30 HIEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000469742226 883897369 /nfs/dbraw/zinc/89/73/69/883897369.db2.gz BIYSMCAUGRJPHI-UHFFFAOYSA-N 1 1 402.376 4.138 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000470170110 884448254 /nfs/dbraw/zinc/44/82/54/884448254.db2.gz OTQGDCICQNIBOL-KWDCZQRMSA-N 1 1 418.560 4.451 20 30 HIEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)sc1C ZINC000470192444 884494798 /nfs/dbraw/zinc/49/47/98/884494798.db2.gz APMCSFKVAGMCDZ-UHFFFAOYSA-N 1 1 404.967 4.493 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000470239863 884567711 /nfs/dbraw/zinc/56/77/11/884567711.db2.gz XMJMMNXSXZQHGQ-OAQYLSRUSA-N 1 1 403.526 4.349 20 30 HIEDMO C=CCc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658311 885082843 /nfs/dbraw/zinc/08/28/43/885082843.db2.gz QKFCAJHKEJITEM-JOCHJYFZSA-N 1 1 408.542 4.169 20 30 HIEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000471156120 885707136 /nfs/dbraw/zinc/70/71/36/885707136.db2.gz JHAWKFPMLLEMFM-IBGZPJMESA-N 1 1 417.340 4.204 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471983963 886811796 /nfs/dbraw/zinc/81/17/96/886811796.db2.gz DQHYEVMYEHWEFW-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471983963 886811807 /nfs/dbraw/zinc/81/18/07/886811807.db2.gz DQHYEVMYEHWEFW-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000472235502 887043654 /nfs/dbraw/zinc/04/36/54/887043654.db2.gz ARRDXECLYDTLME-UHFFFAOYSA-N 1 1 410.543 4.448 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000472265098 887079834 /nfs/dbraw/zinc/07/98/34/887079834.db2.gz XJTVFTLJFXBHNJ-MHZLTWQESA-N 1 1 409.533 4.500 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000473009207 887839287 /nfs/dbraw/zinc/83/92/87/887839287.db2.gz GEYMKBSSWIAFIV-QDSKXPNFSA-N 1 1 404.558 4.378 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)ccc1Cl ZINC000473174733 887952804 /nfs/dbraw/zinc/95/28/04/887952804.db2.gz ZIAKELUCAOKXCJ-UHFFFAOYSA-N 1 1 423.948 4.307 20 30 HIEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829491 888663190 /nfs/dbraw/zinc/66/31/90/888663190.db2.gz NPKOEXZUQIAPHH-YFVAEKQCSA-N 1 1 412.496 4.433 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234790 889078380 /nfs/dbraw/zinc/07/83/80/889078380.db2.gz SOYKSQWWMVPJCO-HSZRJFAPSA-N 1 1 422.573 4.406 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1)C1CC1 ZINC000504547910 913324438 /nfs/dbraw/zinc/32/44/38/913324438.db2.gz SYDUIXXCYHCSJM-FQEVSTJZSA-N 1 1 412.331 4.428 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000475167912 890034007 /nfs/dbraw/zinc/03/40/07/890034007.db2.gz RMBKTHIVLLIUMO-ICSRJNTNSA-N 1 1 411.590 4.246 20 30 HIEDMO C=CC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475717134 890655273 /nfs/dbraw/zinc/65/52/73/890655273.db2.gz STSVAIVBLGIYLU-HNNXBMFYSA-N 1 1 406.515 4.030 20 30 HIEDMO C=CC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475717134 890655280 /nfs/dbraw/zinc/65/52/80/890655280.db2.gz STSVAIVBLGIYLU-HNNXBMFYSA-N 1 1 406.515 4.030 20 30 HIEDMO N#CC[C@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428232 891341074 /nfs/dbraw/zinc/34/10/74/891341074.db2.gz NYEWVIRVMISBMY-DHIUTWEWSA-N 1 1 413.525 4.356 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477049089 891978402 /nfs/dbraw/zinc/97/84/02/891978402.db2.gz JBSVUISTYKEWLC-OPAMFIHVSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477049089 891978417 /nfs/dbraw/zinc/97/84/17/891978417.db2.gz JBSVUISTYKEWLC-OPAMFIHVSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000477593816 892668937 /nfs/dbraw/zinc/66/89/37/892668937.db2.gz VUCDUXAMSWYJGQ-HNNXBMFYSA-N 1 1 408.468 4.089 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000477597411 892674328 /nfs/dbraw/zinc/67/43/28/892674328.db2.gz KWQWFDZIIJEEQJ-UHFFFAOYSA-N 1 1 412.603 4.315 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000479110071 894376818 /nfs/dbraw/zinc/37/68/18/894376818.db2.gz ZRGUMFUYGNDVIV-YJPCQTTLSA-N 1 1 424.589 4.071 20 30 HIEDMO N#CC1(NC(=O)c2cc(-c3cccc(Cl)c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000479283128 894563064 /nfs/dbraw/zinc/56/30/64/894563064.db2.gz LNGALOANXDSFMR-UHFFFAOYSA-N 1 1 420.900 4.283 20 30 HIEDMO Cc1ccc(-c2nc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000479316880 894605154 /nfs/dbraw/zinc/60/51/54/894605154.db2.gz YHYZYLHCACPXPB-UHFFFAOYSA-N 1 1 416.550 4.407 20 30 HIEDMO N#Cc1ccc2ncc(C[NH2+]Cc3cc(Br)ccc3Br)n2c1 ZINC000479578428 894870218 /nfs/dbraw/zinc/87/02/18/894870218.db2.gz QWRDAVFQJYXBFF-UHFFFAOYSA-N 1 1 420.108 4.021 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000479611081 894884770 /nfs/dbraw/zinc/88/47/70/894884770.db2.gz NURVGGFQZMQNTK-LJQANCHMSA-N 1 1 411.889 4.152 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000479611081 894884771 /nfs/dbraw/zinc/88/47/71/894884771.db2.gz NURVGGFQZMQNTK-LJQANCHMSA-N 1 1 411.889 4.152 20 30 HIEDMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1c(F)c(F)cc(F)c1F ZINC000480855206 896223334 /nfs/dbraw/zinc/22/33/34/896223334.db2.gz QNMGUDNOOFLZFW-GFCCVEGCSA-N 1 1 420.328 4.266 20 30 HIEDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1c(F)c(F)cc(F)c1F ZINC000480855206 896223354 /nfs/dbraw/zinc/22/33/54/896223354.db2.gz QNMGUDNOOFLZFW-GFCCVEGCSA-N 1 1 420.328 4.266 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000481067015 896386925 /nfs/dbraw/zinc/38/69/25/896386925.db2.gz ANSUGLZXKHNPBU-GOSISDBHSA-N 1 1 415.607 4.060 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000481067015 896386943 /nfs/dbraw/zinc/38/69/43/896386943.db2.gz ANSUGLZXKHNPBU-GOSISDBHSA-N 1 1 415.607 4.060 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(Br)c1 ZINC000481282051 896628822 /nfs/dbraw/zinc/62/88/22/896628822.db2.gz HZYZONRSVPHCDU-SFHVURJKSA-N 1 1 422.330 4.485 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000481588694 896968448 /nfs/dbraw/zinc/96/84/48/896968448.db2.gz WAPQXZKHVLQHHG-DEOSSOPVSA-N 1 1 424.495 4.291 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1ccc(F)c(F)c1 ZINC000481593749 896972970 /nfs/dbraw/zinc/97/29/70/896972970.db2.gz FMLWAAHZIHTBBM-FQEVSTJZSA-N 1 1 402.470 4.117 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1ccc(F)c(F)c1 ZINC000481593751 896973618 /nfs/dbraw/zinc/97/36/18/896973618.db2.gz FMLWAAHZIHTBBM-HXUWFJFHSA-N 1 1 402.470 4.117 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481597849 896976755 /nfs/dbraw/zinc/97/67/55/896976755.db2.gz KYUDGLNDQSNLBY-BUXKBTBVSA-N 1 1 405.401 4.116 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481603436 896983057 /nfs/dbraw/zinc/98/30/57/896983057.db2.gz BYTAMFRDVUBCLL-HLFMIMNKSA-N 1 1 418.484 4.455 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481609794 896991850 /nfs/dbraw/zinc/99/18/50/896991850.db2.gz OOXYOWFJLWHRLX-KIMHZCHSSA-N 1 1 416.468 4.209 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000481692239 897077818 /nfs/dbraw/zinc/07/78/18/897077818.db2.gz PTALSQCXFYWZJR-VWLOTQADSA-N 1 1 403.526 4.072 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000481692239 897077834 /nfs/dbraw/zinc/07/78/34/897077834.db2.gz PTALSQCXFYWZJR-VWLOTQADSA-N 1 1 403.526 4.072 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481864196 897232033 /nfs/dbraw/zinc/23/20/33/897232033.db2.gz NRVJEHZLGCIVFA-JTHBVZDNSA-N 1 1 405.567 4.163 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894318 897271717 /nfs/dbraw/zinc/27/17/17/897271717.db2.gz ZNUPNNFTBJAAEA-GOTSBHOMSA-N 1 1 420.553 4.387 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000482098627 897544468 /nfs/dbraw/zinc/54/44/68/897544468.db2.gz LJFHOPJBUDURLE-SIKLNZKXSA-N 1 1 405.542 4.227 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F ZINC000483251582 898893204 /nfs/dbraw/zinc/89/32/04/898893204.db2.gz SBSSKNQSIDFJIH-MRXNPFEDSA-N 1 1 417.200 4.302 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@H]21 ZINC000483369706 899006879 /nfs/dbraw/zinc/00/68/79/899006879.db2.gz SXPFNEBJHPOZBZ-DENIHFKCSA-N 1 1 422.504 4.224 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483399462 899032784 /nfs/dbraw/zinc/03/27/84/899032784.db2.gz CCBYXYQEYNJEEA-MRXNPFEDSA-N 1 1 403.448 4.146 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424386 899054579 /nfs/dbraw/zinc/05/45/79/899054579.db2.gz DEQAMLRJFQMSJY-HOYKHHGWSA-N 1 1 409.505 4.133 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424386 899054594 /nfs/dbraw/zinc/05/45/94/899054594.db2.gz DEQAMLRJFQMSJY-HOYKHHGWSA-N 1 1 409.505 4.133 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507300 899167259 /nfs/dbraw/zinc/16/72/59/899167259.db2.gz XTFZFFRYGOVDNV-DHIUTWEWSA-N 1 1 413.525 4.095 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505620118 914321676 /nfs/dbraw/zinc/32/16/76/914321676.db2.gz JVSQDVGLNWUBAK-QFIPXVFZSA-N 1 1 419.569 4.114 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000484719472 900150637 /nfs/dbraw/zinc/15/06/37/900150637.db2.gz NKKWSNUJWMLORB-OFNKIYASSA-N 1 1 409.578 4.387 20 30 HIEDMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632674 /nfs/dbraw/zinc/63/26/74/900632674.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 1 1 405.542 4.062 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505819591 914477800 /nfs/dbraw/zinc/47/78/00/914477800.db2.gz OIDUGZNZNAYNLO-RTBURBONSA-N 1 1 409.555 4.278 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505819591 914477807 /nfs/dbraw/zinc/47/78/07/914477807.db2.gz OIDUGZNZNAYNLO-RTBURBONSA-N 1 1 409.555 4.278 20 30 HIEDMO CCCN(C(=O)c1cccc(SCC#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485533470 900812378 /nfs/dbraw/zinc/81/23/78/900812378.db2.gz XYOLAFZMWFELBV-UHFFFAOYSA-N 1 1 423.586 4.230 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000505856266 914502989 /nfs/dbraw/zinc/50/29/89/914502989.db2.gz IQGJOUIWPFPBLP-HOTGVXAUSA-N 1 1 409.555 4.360 20 30 HIEDMO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000486262065 901445027 /nfs/dbraw/zinc/44/50/27/901445027.db2.gz WGWXTYMZWVUMFP-QHCPKHFHSA-N 1 1 406.530 4.136 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486273863 901456444 /nfs/dbraw/zinc/45/64/44/901456444.db2.gz ZDJSRYZJDRSIIR-ARBPTSGCSA-N 1 1 412.484 4.421 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486273863 901456453 /nfs/dbraw/zinc/45/64/53/901456453.db2.gz ZDJSRYZJDRSIIR-ARBPTSGCSA-N 1 1 412.484 4.421 20 30 HIEDMO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000486309577 901488791 /nfs/dbraw/zinc/48/87/91/901488791.db2.gz NIMIUHOTOJUNBI-UHFFFAOYSA-N 1 1 418.472 4.437 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907394 914549557 /nfs/dbraw/zinc/54/95/57/914549557.db2.gz SFFPJIPJRQOELB-CTNGQTDRSA-N 1 1 421.541 4.457 20 30 HIEDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)n2)c1 ZINC000486807059 901866042 /nfs/dbraw/zinc/86/60/42/901866042.db2.gz CQKLQKPBNSYBSX-GOSISDBHSA-N 1 1 424.508 4.477 20 30 HIEDMO Clc1cccc(C#CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486837725 901887549 /nfs/dbraw/zinc/88/75/49/901887549.db2.gz DVBAXBGSSRCWSC-AUSIDOKSSA-N 1 1 404.901 4.190 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966073 901994493 /nfs/dbraw/zinc/99/44/93/901994493.db2.gz JQXAJGCCGLOEKO-IIBYNOLFSA-N 1 1 401.470 4.337 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000505935922 914587080 /nfs/dbraw/zinc/58/70/80/914587080.db2.gz QWILGVPSAGWLKP-SJORKVTESA-N 1 1 412.603 4.279 20 30 HIEDMO C=CCn1c(SCCc2c[nH+]cn2C)nc2scc(-c3cccs3)c2c1=O ZINC000487145467 902074305 /nfs/dbraw/zinc/07/43/05/902074305.db2.gz LPOQBYWASLCIOV-UHFFFAOYSA-N 1 1 414.581 4.441 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317232 902763636 /nfs/dbraw/zinc/76/36/36/902763636.db2.gz SKQYFSZHMFCKAM-SFHVURJKSA-N 1 1 420.513 4.068 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509069 902863255 /nfs/dbraw/zinc/86/32/55/902863255.db2.gz UUIVINCBGOAXMQ-RDPSFJRHSA-N 1 1 405.542 4.134 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489851797 903630670 /nfs/dbraw/zinc/63/06/70/903630670.db2.gz IFPHKTKSFUYXRF-XXBNENTESA-N 1 1 422.529 4.203 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489851795 903631407 /nfs/dbraw/zinc/63/14/07/903631407.db2.gz IFPHKTKSFUYXRF-CVDCTZTESA-N 1 1 422.529 4.203 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490492488 904045826 /nfs/dbraw/zinc/04/58/26/904045826.db2.gz MRTWEWTVKAHTIJ-UHFFFAOYSA-N 1 1 419.982 4.175 20 30 HIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1Cl ZINC000490624662 904144314 /nfs/dbraw/zinc/14/43/14/904144314.db2.gz VJAPWWLNVKZHLY-LJQANCHMSA-N 1 1 414.962 4.166 20 30 HIEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000491195319 904476981 /nfs/dbraw/zinc/47/69/81/904476981.db2.gz UPLVDQJIDMDOFY-NRFANRHFSA-N 1 1 402.498 4.011 20 30 HIEDMO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492271682 904826567 /nfs/dbraw/zinc/82/65/67/904826567.db2.gz PSSBYELXRVVDOX-MAUKXSAKSA-N 1 1 414.456 4.192 20 30 HIEDMO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492271676 904826781 /nfs/dbraw/zinc/82/67/81/904826781.db2.gz PSSBYELXRVVDOX-CRAIPNDOSA-N 1 1 414.456 4.192 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000506249052 914862730 /nfs/dbraw/zinc/86/27/30/914862730.db2.gz YLPSAYOSGIGNSZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000506249052 914862735 /nfs/dbraw/zinc/86/27/35/914862735.db2.gz YLPSAYOSGIGNSZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000506249052 914862740 /nfs/dbraw/zinc/86/27/40/914862740.db2.gz YLPSAYOSGIGNSZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000512438923 921163160 /nfs/dbraw/zinc/16/31/60/921163160.db2.gz LLGKAZMUCCRPMF-UHFFFAOYSA-N 1 1 422.492 4.011 20 30 HIEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)C2)n1 ZINC000494494554 905782056 /nfs/dbraw/zinc/78/20/56/905782056.db2.gz OLWCLIDCJNBIST-NRFANRHFSA-N 1 1 417.557 4.088 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1C ZINC000494562487 905837601 /nfs/dbraw/zinc/83/76/01/905837601.db2.gz HBQSFPJBQAFADH-XMMPIXPASA-N 1 1 407.558 4.069 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000495023287 906181042 /nfs/dbraw/zinc/18/10/42/906181042.db2.gz GLAGZMNTYSNXHJ-IBGZPJMESA-N 1 1 412.578 4.009 20 30 HIEDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000495546934 906500860 /nfs/dbraw/zinc/50/08/60/906500860.db2.gz KDQBSGDWECOZLO-MRXNPFEDSA-N 1 1 410.587 4.067 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496785365 906757628 /nfs/dbraw/zinc/75/76/28/906757628.db2.gz HIDAFEYLOFMMQZ-FQEVSTJZSA-N 1 1 421.541 4.121 20 30 HIEDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000497094371 906803617 /nfs/dbraw/zinc/80/36/17/906803617.db2.gz DLCIAUFKMNXSAC-JOCHJYFZSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000497094371 906803623 /nfs/dbraw/zinc/80/36/23/906803623.db2.gz DLCIAUFKMNXSAC-JOCHJYFZSA-N 1 1 421.541 4.404 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)c1 ZINC000512630706 921267984 /nfs/dbraw/zinc/26/79/84/921267984.db2.gz ZEDXCLYEMFIRTQ-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1F ZINC000512646603 921273209 /nfs/dbraw/zinc/27/32/09/921273209.db2.gz BQUNYDBZDPGGEM-KPZWWZAWSA-N 1 1 407.367 4.052 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618651 907096005 /nfs/dbraw/zinc/09/60/05/907096005.db2.gz GAPMRZYAUJIJAM-IBGZPJMESA-N 1 1 415.541 4.060 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1)CC(C)C ZINC000497695143 907200099 /nfs/dbraw/zinc/20/00/99/907200099.db2.gz ADRGAWPZECWREV-UHFFFAOYSA-N 1 1 410.484 4.192 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(OC2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000497739894 907237108 /nfs/dbraw/zinc/23/71/08/907237108.db2.gz QQQZRKYJLBITEQ-UHFFFAOYSA-N 1 1 403.954 4.400 20 30 HIEDMO CCOC1CC2(C1)CC[N@@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512801483 921314194 /nfs/dbraw/zinc/31/41/94/921314194.db2.gz MDXWSFPSHHBDNG-HOKUHMFPSA-N 1 1 401.576 4.107 20 30 HIEDMO CCOC1CC2(C1)CC[N@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512801483 921314196 /nfs/dbraw/zinc/31/41/96/921314196.db2.gz MDXWSFPSHHBDNG-HOKUHMFPSA-N 1 1 401.576 4.107 20 30 HIEDMO CC(C)c1ccc(OCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000497933046 907397369 /nfs/dbraw/zinc/39/73/69/907397369.db2.gz DXLVDVOKZFEIOZ-UHFFFAOYSA-N 1 1 405.542 4.185 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000498412365 907889207 /nfs/dbraw/zinc/88/92/07/907889207.db2.gz VJONUIUBDZVVDI-KDURUIRLSA-N 1 1 421.589 4.178 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1C ZINC000498473094 907943896 /nfs/dbraw/zinc/94/38/96/907943896.db2.gz MAURYSKISCDAOC-WOJBJXKFSA-N 1 1 407.562 4.073 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000498482409 907952609 /nfs/dbraw/zinc/95/26/09/907952609.db2.gz URVXXOMPCPSDJE-LJQANCHMSA-N 1 1 421.589 4.323 20 30 HIEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498552662 908013320 /nfs/dbraw/zinc/01/33/20/908013320.db2.gz GJXDFGXLSSPTAO-PKTZIBPZSA-N 1 1 409.530 4.006 20 30 HIEDMO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498552663 908013950 /nfs/dbraw/zinc/01/39/50/908013950.db2.gz GJXDFGXLSSPTAO-XZOQPEGZSA-N 1 1 409.530 4.006 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706265 908131286 /nfs/dbraw/zinc/13/12/86/908131286.db2.gz RAEPGWNOTDGEQU-NFBKMPQASA-N 1 1 407.558 4.303 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1OCC ZINC000512896590 921390004 /nfs/dbraw/zinc/39/00/04/921390004.db2.gz WGYVCHOPYGBURE-SFHVURJKSA-N 1 1 420.351 4.387 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]12 ZINC000499524031 908828621 /nfs/dbraw/zinc/82/86/21/908828621.db2.gz RRUXIEWWHNBOKS-RTOMLYRKSA-N 1 1 403.611 4.271 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)CC2)cs1 ZINC000499809842 908941302 /nfs/dbraw/zinc/94/13/02/908941302.db2.gz HYCVOMZJHNPVFD-QGZVFWFLSA-N 1 1 423.369 4.351 20 30 HIEDMO CC(C)Cn1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000499994362 909446419 /nfs/dbraw/zinc/44/64/19/909446419.db2.gz ALVBFMLNCFCVKT-UHFFFAOYSA-N 1 1 422.577 4.274 20 30 HIEDMO CC(C)Cn1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000499994362 909446455 /nfs/dbraw/zinc/44/64/55/909446455.db2.gz ALVBFMLNCFCVKT-UHFFFAOYSA-N 1 1 422.577 4.274 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500236414 909725598 /nfs/dbraw/zinc/72/55/98/909725598.db2.gz NHGZLONOXICMNJ-RUZDIDTESA-N 1 1 422.573 4.005 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500236414 909725607 /nfs/dbraw/zinc/72/56/07/909725607.db2.gz NHGZLONOXICMNJ-RUZDIDTESA-N 1 1 422.573 4.005 20 30 HIEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000500970934 910213356 /nfs/dbraw/zinc/21/33/56/910213356.db2.gz LNLCKWXRZUDOSM-HSZRJFAPSA-N 1 1 406.530 4.136 20 30 HIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000501133579 910313212 /nfs/dbraw/zinc/31/32/12/910313212.db2.gz KVEQLOUXJGTIKL-UHFFFAOYSA-N 1 1 421.541 4.089 20 30 HIEDMO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501959772 910944937 /nfs/dbraw/zinc/94/49/37/910944937.db2.gz IJUKSLHTMZXARV-NFBKMPQASA-N 1 1 421.589 4.030 20 30 HIEDMO Cc1[nH+]ccn1CCCCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000502103786 911040085 /nfs/dbraw/zinc/04/00/85/911040085.db2.gz XFPWBGBJTYDRGR-UHFFFAOYSA-N 1 1 415.522 4.335 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000502193946 911133944 /nfs/dbraw/zinc/13/39/44/911133944.db2.gz YSQSPJOXORDXGU-CJFMBICVSA-N 1 1 414.553 4.410 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000502307935 911274031 /nfs/dbraw/zinc/27/40/31/911274031.db2.gz WBORNGZCAJKOFQ-HXUWFJFHSA-N 1 1 420.582 4.331 20 30 HIEDMO COc1ccc([C@H](NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504595 911509266 /nfs/dbraw/zinc/50/92/66/911509266.db2.gz AJUDOWXGPCIASN-RUZDIDTESA-N 1 1 403.526 4.169 20 30 HIEDMO COc1ccc([C@H](NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504595 911509283 /nfs/dbraw/zinc/50/92/83/911509283.db2.gz AJUDOWXGPCIASN-RUZDIDTESA-N 1 1 403.526 4.169 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000502552788 911559569 /nfs/dbraw/zinc/55/95/69/911559569.db2.gz ISFLGEDHLWGFCX-SFHVURJKSA-N 1 1 403.309 4.394 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742855 911766954 /nfs/dbraw/zinc/76/69/54/911766954.db2.gz AYEOZDHRRZIRAX-OFNKIYASSA-N 1 1 420.488 4.054 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742855 911766968 /nfs/dbraw/zinc/76/69/68/911766968.db2.gz AYEOZDHRRZIRAX-OFNKIYASSA-N 1 1 420.488 4.054 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503063635 912027742 /nfs/dbraw/zinc/02/77/42/912027742.db2.gz OGPRPLWKXIMNSN-VGOFRKELSA-N 1 1 422.577 4.200 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503063635 912027758 /nfs/dbraw/zinc/02/77/58/912027758.db2.gz OGPRPLWKXIMNSN-VGOFRKELSA-N 1 1 422.577 4.200 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000503083397 912053283 /nfs/dbraw/zinc/05/32/83/912053283.db2.gz CNQIBYXXUKKWLV-HSZRJFAPSA-N 1 1 410.518 4.255 20 30 HIEDMO Cn1nccc1-c1ccccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000513347052 921728746 /nfs/dbraw/zinc/72/87/46/921728746.db2.gz CFTAHMTYYDYRCQ-HSZRJFAPSA-N 1 1 405.933 4.123 20 30 HIEDMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338754 914953236 /nfs/dbraw/zinc/95/32/36/914953236.db2.gz OLZZEWNCDIWWBL-AZGAKELHSA-N 1 1 400.522 4.466 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620109 915279300 /nfs/dbraw/zinc/27/93/00/915279300.db2.gz UBVZKROCDNKBCA-FQEVSTJZSA-N 1 1 423.561 4.075 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000513406206 921775258 /nfs/dbraw/zinc/77/52/58/921775258.db2.gz OEIXTVQPUUDUFC-WZONZLPQSA-N 1 1 407.533 4.486 20 30 HIEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000506807970 915558570 /nfs/dbraw/zinc/55/85/70/915558570.db2.gz WZVLZKYUXFGALQ-NRFANRHFSA-N 1 1 402.498 4.126 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c(F)c1 ZINC000507165180 915905143 /nfs/dbraw/zinc/90/51/43/915905143.db2.gz OCFIMKUJLFDTNS-UHFFFAOYSA-N 1 1 421.303 4.155 20 30 HIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507181066 915927072 /nfs/dbraw/zinc/92/70/72/915927072.db2.gz PMQCJOVQRYRCHH-UHFFFAOYSA-N 1 1 408.889 4.370 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507181066 915927081 /nfs/dbraw/zinc/92/70/81/915927081.db2.gz PMQCJOVQRYRCHH-UHFFFAOYSA-N 1 1 408.889 4.370 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)c1C#N ZINC000507180538 915927203 /nfs/dbraw/zinc/92/72/03/915927203.db2.gz MDBAOUNDAQGBKS-HXUWFJFHSA-N 1 1 416.525 4.354 20 30 HIEDMO CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702264 916484949 /nfs/dbraw/zinc/48/49/49/916484949.db2.gz PMVHCOIVULKBBA-HNAYVOBHSA-N 1 1 403.320 4.144 20 30 HIEDMO CC(C)C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000507731520 916526154 /nfs/dbraw/zinc/52/61/54/916526154.db2.gz JOWRYSPCBGSQOG-UHFFFAOYSA-N 1 1 402.498 4.378 20 30 HIEDMO CC(C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000507788405 916574368 /nfs/dbraw/zinc/57/43/68/916574368.db2.gz MNQMZGGFVBTBDP-XMMPIXPASA-N 1 1 409.505 4.054 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000507802358 916588090 /nfs/dbraw/zinc/58/80/90/916588090.db2.gz UHEQPKZEASFMLN-UHFFFAOYSA-N 1 1 419.506 4.454 20 30 HIEDMO CC(C)(C)C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000507820009 916615462 /nfs/dbraw/zinc/61/54/62/916615462.db2.gz YSLMKQFFLYGQSV-UHFFFAOYSA-N 1 1 401.514 4.231 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508480092 917265149 /nfs/dbraw/zinc/26/51/49/917265149.db2.gz CYWDRHJQUQCAJF-UHFFFAOYSA-N 1 1 416.554 4.063 20 30 HIEDMO CCOc1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601883 917371734 /nfs/dbraw/zinc/37/17/34/917371734.db2.gz BERUXQIUFRCKDA-RBUKOAKNSA-N 1 1 423.557 4.396 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508745550 917503184 /nfs/dbraw/zinc/50/31/84/917503184.db2.gz GDLRFMKYMKSENI-FCHUYYIVSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000508790218 917546075 /nfs/dbraw/zinc/54/60/75/917546075.db2.gz JMWLMKPDYGCJLC-QGZVFWFLSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508814780 917569178 /nfs/dbraw/zinc/56/91/78/917569178.db2.gz WKQKNTPNKMQYIQ-MDNUFGMLSA-N 1 1 405.590 4.459 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508829213 917582119 /nfs/dbraw/zinc/58/21/19/917582119.db2.gz SIVMGGSUKMHLIA-RTWAWAEBSA-N 1 1 423.605 4.154 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508864305 917618510 /nfs/dbraw/zinc/61/85/10/917618510.db2.gz NNLFBPFBXVZCNX-KRWDZBQOSA-N 1 1 411.550 4.139 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508886098 917640121 /nfs/dbraw/zinc/64/01/21/917640121.db2.gz WXULANRSJQZZIM-UHFFFAOYSA-N 1 1 418.589 4.341 20 30 HIEDMO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508906720 917661742 /nfs/dbraw/zinc/66/17/42/917661742.db2.gz IEFGACMPZZBAFE-OYRHEFFESA-N 1 1 423.605 4.155 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508936916 917693567 /nfs/dbraw/zinc/69/35/67/917693567.db2.gz APWYPIJBAVQJPK-DENIHFKCSA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000509001081 917755095 /nfs/dbraw/zinc/75/50/95/917755095.db2.gz VQBDRMSNUDOIRU-SFHVURJKSA-N 1 1 422.964 4.371 20 30 HIEDMO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509069651 917815552 /nfs/dbraw/zinc/81/55/52/917815552.db2.gz LGQNXBHPTFZMOT-APWZRJJASA-N 1 1 424.408 4.362 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509069651 917815560 /nfs/dbraw/zinc/81/55/60/917815560.db2.gz LGQNXBHPTFZMOT-APWZRJJASA-N 1 1 424.408 4.362 20 30 HIEDMO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000509101243 917839673 /nfs/dbraw/zinc/83/96/73/917839673.db2.gz VSWCGZYAYJLQAE-UHFFFAOYSA-N 1 1 413.447 4.176 20 30 HIEDMO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000509101243 917839678 /nfs/dbraw/zinc/83/96/78/917839678.db2.gz VSWCGZYAYJLQAE-UHFFFAOYSA-N 1 1 413.447 4.176 20 30 HIEDMO COc1ccc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572696 918222612 /nfs/dbraw/zinc/22/26/12/918222612.db2.gz DBCZPXBFNPAQGG-HSZRJFAPSA-N 1 1 407.558 4.474 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572696 918222628 /nfs/dbraw/zinc/22/26/28/918222628.db2.gz DBCZPXBFNPAQGG-HSZRJFAPSA-N 1 1 407.558 4.474 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572696 918222646 /nfs/dbraw/zinc/22/26/46/918222646.db2.gz DBCZPXBFNPAQGG-HSZRJFAPSA-N 1 1 407.558 4.474 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000509603009 918252259 /nfs/dbraw/zinc/25/22/59/918252259.db2.gz QHQOOAXSUDWYER-MGPUTAFESA-N 1 1 405.468 4.220 20 30 HIEDMO C=C(CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000510026066 918601657 /nfs/dbraw/zinc/60/16/57/918601657.db2.gz BEGHVHTYTYMORB-UHFFFAOYSA-N 1 1 405.542 4.219 20 30 HIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000510074587 918642742 /nfs/dbraw/zinc/64/27/42/918642742.db2.gz RGHYXAIOISLPIC-RUZDIDTESA-N 1 1 413.525 4.126 20 30 HIEDMO C=CCOc1cccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000510537009 918981965 /nfs/dbraw/zinc/98/19/65/918981965.db2.gz ZZCBFYUWKCRQHX-KDURUIRLSA-N 1 1 409.530 4.182 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000510640962 919082718 /nfs/dbraw/zinc/08/27/18/919082718.db2.gz NSTWZYKFPCBEBC-INIZCTEOSA-N 1 1 420.351 4.136 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)CCO1 ZINC000510694271 919131823 /nfs/dbraw/zinc/13/18/23/919131823.db2.gz WYDVIRKBVBCLNW-GOSISDBHSA-N 1 1 420.513 4.068 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511136639 919753355 /nfs/dbraw/zinc/75/33/55/919753355.db2.gz JSCWFWFZMVXUTI-IBGZPJMESA-N 1 1 401.432 4.073 20 30 HIEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2C1 ZINC000511524128 920142089 /nfs/dbraw/zinc/14/20/89/920142089.db2.gz GXMXIRLEINCMDE-UHFFFAOYSA-N 1 1 406.505 4.278 20 30 HIEDMO CCC[N@H+]1Cc2cccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2C1 ZINC000511524128 920142097 /nfs/dbraw/zinc/14/20/97/920142097.db2.gz GXMXIRLEINCMDE-UHFFFAOYSA-N 1 1 406.505 4.278 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512179901 920917914 /nfs/dbraw/zinc/91/79/14/920917914.db2.gz NDNLAMCFXDHADU-INIZCTEOSA-N 1 1 412.704 4.170 20 30 HIEDMO CCCN(C(=O)c1cc(C#N)ccc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512287986 921043488 /nfs/dbraw/zinc/04/34/88/921043488.db2.gz XPRNEOZBQPNIRD-UHFFFAOYSA-N 1 1 411.937 4.140 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000514046208 922366541 /nfs/dbraw/zinc/36/65/41/922366541.db2.gz NZKTVYULIDQGFL-GOTSBHOMSA-N 1 1 406.505 4.036 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000514119813 922452348 /nfs/dbraw/zinc/45/23/48/922452348.db2.gz AHKCMAWGHLAVJK-IBGZPJMESA-N 1 1 413.905 4.395 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000515096124 922907638 /nfs/dbraw/zinc/90/76/38/922907638.db2.gz APBSFYPPIGXMKI-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000515096124 922907648 /nfs/dbraw/zinc/90/76/48/922907648.db2.gz APBSFYPPIGXMKI-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO N#CCc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000515934655 923449019 /nfs/dbraw/zinc/44/90/19/923449019.db2.gz HGZKTCUYKINVMK-UHFFFAOYSA-N 1 1 401.432 4.166 20 30 HIEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000516204904 923597428 /nfs/dbraw/zinc/59/74/28/923597428.db2.gz SVQSXZGVGYHOFQ-INIZCTEOSA-N 1 1 411.575 4.238 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000516686127 923844199 /nfs/dbraw/zinc/84/41/99/923844199.db2.gz QKKYRMCXEQCEIZ-GOSISDBHSA-N 1 1 423.395 4.186 20 30 HIEDMO C[N@@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000518016568 926955123 /nfs/dbraw/zinc/95/51/23/926955123.db2.gz PZADDDPNAJEJKR-UHFFFAOYSA-N 1 1 403.457 4.351 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000518152687 927049899 /nfs/dbraw/zinc/04/98/99/927049899.db2.gz UDLKYTITCFWUBI-PZJWPPBQSA-N 1 1 402.546 4.015 20 30 HIEDMO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000519201718 927824240 /nfs/dbraw/zinc/82/42/40/927824240.db2.gz WCBIVZPTUBNYEE-DVECYGJZSA-N 1 1 405.542 4.448 20 30 HIEDMO CC(C)C[C@@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000519201470 927824374 /nfs/dbraw/zinc/82/43/74/927824374.db2.gz NCGSZNRNPXPTOJ-XMMPIXPASA-N 1 1 405.542 4.305 20 30 HIEDMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000519907870 928142401 /nfs/dbraw/zinc/14/24/01/928142401.db2.gz MGQSNCLRMBWWFA-UHFFFAOYSA-N 1 1 403.551 4.289 20 30 HIEDMO CC(C)(C)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000520157997 928350582 /nfs/dbraw/zinc/35/05/82/928350582.db2.gz SVMLIOKESRKPBD-UHFFFAOYSA-N 1 1 404.558 4.273 20 30 HIEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938278 928883563 /nfs/dbraw/zinc/88/35/63/928883563.db2.gz RQOXIGQNBLOWSC-OAHLLOKOSA-N 1 1 406.515 4.436 20 30 HIEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938278 928883564 /nfs/dbraw/zinc/88/35/64/928883564.db2.gz RQOXIGQNBLOWSC-OAHLLOKOSA-N 1 1 406.515 4.436 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000521121437 929007274 /nfs/dbraw/zinc/00/72/74/929007274.db2.gz IZBFSJBBZWVNLM-WIYYLYMNSA-N 1 1 408.502 4.128 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808079 929466518 /nfs/dbraw/zinc/46/65/18/929466518.db2.gz BTZITKLNPOILOD-QGZVFWFLSA-N 1 1 416.485 4.075 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808079 929466522 /nfs/dbraw/zinc/46/65/22/929466522.db2.gz BTZITKLNPOILOD-QGZVFWFLSA-N 1 1 416.485 4.075 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000521881582 929531300 /nfs/dbraw/zinc/53/13/00/929531300.db2.gz ZQKLPUGYOHURDS-UHFFFAOYSA-N 1 1 421.589 4.273 20 30 HIEDMO N#CCc1ccc(Oc2ccc(C(=O)NCC[N@@H+]3CCc4sccc4C3)cc2)cc1 ZINC000521967871 929605180 /nfs/dbraw/zinc/60/51/80/929605180.db2.gz IFNXCDPGKPUGRE-UHFFFAOYSA-N 1 1 417.534 4.395 20 30 HIEDMO N#CCc1ccc(Oc2ccc(C(=O)NCC[N@H+]3CCc4sccc4C3)cc2)cc1 ZINC000521967871 929605187 /nfs/dbraw/zinc/60/51/87/929605187.db2.gz IFNXCDPGKPUGRE-UHFFFAOYSA-N 1 1 417.534 4.395 20 30 HIEDMO CC(C)[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000524666202 929781304 /nfs/dbraw/zinc/78/13/04/929781304.db2.gz RRLCGBBNAYTSHR-DEOSSOPVSA-N 1 1 409.505 4.054 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000525039107 929994877 /nfs/dbraw/zinc/99/48/77/929994877.db2.gz FOHQIALLRJJMHP-XXBNENTESA-N 1 1 411.571 4.368 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662912 930791455 /nfs/dbraw/zinc/79/14/55/930791455.db2.gz OADMEKQMFIWTMU-SJORKVTESA-N 1 1 402.608 4.022 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662912 930791460 /nfs/dbraw/zinc/79/14/60/930791460.db2.gz OADMEKQMFIWTMU-SJORKVTESA-N 1 1 402.608 4.022 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000531587880 931111591 /nfs/dbraw/zinc/11/15/91/931111591.db2.gz KFDHULGELIKSCH-YOEHRIQHSA-N 1 1 424.408 4.316 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000531587880 931111595 /nfs/dbraw/zinc/11/15/95/931111595.db2.gz KFDHULGELIKSCH-YOEHRIQHSA-N 1 1 424.408 4.316 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1OCC ZINC000531696864 931161300 /nfs/dbraw/zinc/16/13/00/931161300.db2.gz KPQPRHTULUVAMN-MRXNPFEDSA-N 1 1 406.324 4.303 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1OCC ZINC000531696864 931161306 /nfs/dbraw/zinc/16/13/06/931161306.db2.gz KPQPRHTULUVAMN-MRXNPFEDSA-N 1 1 406.324 4.303 20 30 HIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000532351761 931404956 /nfs/dbraw/zinc/40/49/56/931404956.db2.gz QPFFNULCBGBBAK-SFHVURJKSA-N 1 1 409.559 4.076 20 30 HIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000532351761 931404961 /nfs/dbraw/zinc/40/49/61/931404961.db2.gz QPFFNULCBGBBAK-SFHVURJKSA-N 1 1 409.559 4.076 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)c1 ZINC000532433623 931431969 /nfs/dbraw/zinc/43/19/69/931431969.db2.gz WQPMBAGVOHYULK-GOTSBHOMSA-N 1 1 420.513 4.115 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000532483548 931456398 /nfs/dbraw/zinc/45/63/98/931456398.db2.gz NYJRVDAHNTZMNQ-QFIPXVFZSA-N 1 1 424.541 4.064 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000532483548 931456401 /nfs/dbraw/zinc/45/64/01/931456401.db2.gz NYJRVDAHNTZMNQ-QFIPXVFZSA-N 1 1 424.541 4.064 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000532486557 931457567 /nfs/dbraw/zinc/45/75/67/931457567.db2.gz DIHSFCLVZFGAEH-KRWDZBQOSA-N 1 1 405.477 4.213 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000532486557 931457575 /nfs/dbraw/zinc/45/75/75/931457575.db2.gz DIHSFCLVZFGAEH-KRWDZBQOSA-N 1 1 405.477 4.213 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560867 931524505 /nfs/dbraw/zinc/52/45/05/931524505.db2.gz ZPWWMBKERWJEBC-MOPGFXCFSA-N 1 1 416.525 4.082 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560867 931524512 /nfs/dbraw/zinc/52/45/12/931524512.db2.gz ZPWWMBKERWJEBC-MOPGFXCFSA-N 1 1 416.525 4.082 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532643393 931565341 /nfs/dbraw/zinc/56/53/41/931565341.db2.gz CWCZCQCHIKAORL-KRWDZBQOSA-N 1 1 406.555 4.317 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532643393 931565348 /nfs/dbraw/zinc/56/53/48/931565348.db2.gz CWCZCQCHIKAORL-KRWDZBQOSA-N 1 1 406.555 4.317 20 30 HIEDMO C=C1CC[NH+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000532960045 931714274 /nfs/dbraw/zinc/71/42/74/931714274.db2.gz PXPHQHVHJOWGGW-QFIPXVFZSA-N 1 1 403.526 4.077 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000533045940 931751157 /nfs/dbraw/zinc/75/11/57/931751157.db2.gz XEQORHQJHHOSHI-UHFFFAOYSA-N 1 1 405.473 4.225 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047256 931752169 /nfs/dbraw/zinc/75/21/69/931752169.db2.gz HPJUHOKUFBYZPF-GOSISDBHSA-N 1 1 422.460 4.014 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(OC)cc1 ZINC000533240608 931816604 /nfs/dbraw/zinc/81/66/04/931816604.db2.gz VXLJTKRLCBAMIX-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(OC)cc1 ZINC000533240608 931816606 /nfs/dbraw/zinc/81/66/06/931816606.db2.gz VXLJTKRLCBAMIX-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533283773 931827588 /nfs/dbraw/zinc/82/75/88/931827588.db2.gz MYQKBCHXVHZHHB-GOSISDBHSA-N 1 1 412.497 4.003 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533283773 931827590 /nfs/dbraw/zinc/82/75/90/931827590.db2.gz MYQKBCHXVHZHHB-GOSISDBHSA-N 1 1 412.497 4.003 20 30 HIEDMO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000533479124 931879344 /nfs/dbraw/zinc/87/93/44/931879344.db2.gz MHNALCQFZCVLLI-QHCPKHFHSA-N 1 1 409.555 4.075 20 30 HIEDMO C[C@@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000533479124 931879348 /nfs/dbraw/zinc/87/93/48/931879348.db2.gz MHNALCQFZCVLLI-QHCPKHFHSA-N 1 1 409.555 4.075 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1C#N ZINC000533501465 931885659 /nfs/dbraw/zinc/88/56/59/931885659.db2.gz ADFVNGLYNYCAAM-FQEVSTJZSA-N 1 1 405.546 4.217 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1C#N ZINC000533501465 931885661 /nfs/dbraw/zinc/88/56/61/931885661.db2.gz ADFVNGLYNYCAAM-FQEVSTJZSA-N 1 1 405.546 4.217 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000533522686 931893018 /nfs/dbraw/zinc/89/30/18/931893018.db2.gz NUPJMJXTLLCLOW-HXUWFJFHSA-N 1 1 412.559 4.106 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000533522686 931893019 /nfs/dbraw/zinc/89/30/19/931893019.db2.gz NUPJMJXTLLCLOW-HXUWFJFHSA-N 1 1 412.559 4.106 20 30 HIEDMO C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000534205434 932330948 /nfs/dbraw/zinc/33/09/48/932330948.db2.gz FVFAOXLJPUPZBU-GOTSBHOMSA-N 1 1 414.594 4.052 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c2ccccc21 ZINC000534579834 932577014 /nfs/dbraw/zinc/57/70/14/932577014.db2.gz CGEPZJKVKWSPKX-LJQANCHMSA-N 1 1 411.509 4.252 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757091 932734798 /nfs/dbraw/zinc/73/47/98/932734798.db2.gz UDYZEZACAXYKQI-NOZRDPDXSA-N 1 1 411.505 4.312 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000535210535 933017242 /nfs/dbraw/zinc/01/72/42/933017242.db2.gz HCYBEWSVALBOKN-UHFFFAOYSA-N 1 1 421.566 4.131 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000535210535 933017246 /nfs/dbraw/zinc/01/72/46/933017246.db2.gz HCYBEWSVALBOKN-UHFFFAOYSA-N 1 1 421.566 4.131 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000535316269 933068408 /nfs/dbraw/zinc/06/84/08/933068408.db2.gz WGXFVGZNDYZVLI-OAQYLSRUSA-N 1 1 415.541 4.064 20 30 HIEDMO N#CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000535359470 933090831 /nfs/dbraw/zinc/09/08/31/933090831.db2.gz CZMMNWUUKIEJQE-UHFFFAOYSA-N 1 1 424.548 4.323 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466569 933156412 /nfs/dbraw/zinc/15/64/12/933156412.db2.gz SZRHWBGCYOQDOT-LOSJGSFVSA-N 1 1 411.505 4.312 20 30 HIEDMO Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2nc1C(C)(C)C ZINC000535509078 933203437 /nfs/dbraw/zinc/20/34/37/933203437.db2.gz WPTYZWPZBAWFPA-UHFFFAOYSA-N 1 1 402.907 4.197 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000535572088 933247037 /nfs/dbraw/zinc/24/70/37/933247037.db2.gz PEHAJYVJMOVVAL-GMAHTHKFSA-N 1 1 411.933 4.322 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000535572088 933247043 /nfs/dbraw/zinc/24/70/43/933247043.db2.gz PEHAJYVJMOVVAL-GMAHTHKFSA-N 1 1 411.933 4.322 20 30 HIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629391 933273855 /nfs/dbraw/zinc/27/38/55/933273855.db2.gz ZOTDJCDQDSZXAB-OALUTQOASA-N 1 1 411.521 4.280 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535680706 933332477 /nfs/dbraw/zinc/33/24/77/933332477.db2.gz OVFOTJBZRQKRAA-YWZLYKJASA-N 1 1 416.884 4.174 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000537583249 938329035 /nfs/dbraw/zinc/32/90/35/938329035.db2.gz WUTLLSZWSANBJV-UHFFFAOYSA-N 1 1 402.454 4.073 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537631467 938341069 /nfs/dbraw/zinc/34/10/69/938341069.db2.gz OCCHZDUKVSYNTB-HNNXBMFYSA-N 1 1 413.909 4.082 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537631467 938341072 /nfs/dbraw/zinc/34/10/72/938341072.db2.gz OCCHZDUKVSYNTB-HNNXBMFYSA-N 1 1 413.909 4.082 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1OCC ZINC000537687196 938354275 /nfs/dbraw/zinc/35/42/75/938354275.db2.gz DEUXFAJXNJUVDQ-FUHWJXTLSA-N 1 1 410.352 4.414 20 30 HIEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000538467516 938628876 /nfs/dbraw/zinc/62/88/76/938628876.db2.gz IHKKPKQFGZEKAK-INIZCTEOSA-N 1 1 403.324 4.500 20 30 HIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000538467516 938628879 /nfs/dbraw/zinc/62/88/79/938628879.db2.gz IHKKPKQFGZEKAK-INIZCTEOSA-N 1 1 403.324 4.500 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538521519 938640678 /nfs/dbraw/zinc/64/06/78/938640678.db2.gz BZPLFNYFPSLDSP-SFTDATJTSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538521519 938640679 /nfs/dbraw/zinc/64/06/79/938640679.db2.gz BZPLFNYFPSLDSP-SFTDATJTSA-N 1 1 414.912 4.374 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OCC ZINC000538751806 938702195 /nfs/dbraw/zinc/70/21/95/938702195.db2.gz OUGLWVFAUMJPLU-IAGOWNOFSA-N 1 1 410.352 4.271 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000539095161 938802001 /nfs/dbraw/zinc/80/20/01/938802001.db2.gz LKSKCSCNFWWUBT-OAQYLSRUSA-N 1 1 420.310 4.304 20 30 HIEDMO CCC[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000539422670 938858226 /nfs/dbraw/zinc/85/82/26/938858226.db2.gz BFMXPZQFQOVIMM-JOCHJYFZSA-N 1 1 401.514 4.095 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)c1 ZINC000539763010 938928136 /nfs/dbraw/zinc/92/81/36/938928136.db2.gz FJRKDZBZJMONEB-IBGZPJMESA-N 1 1 417.517 4.154 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)c1 ZINC000539763010 938928137 /nfs/dbraw/zinc/92/81/37/938928137.db2.gz FJRKDZBZJMONEB-IBGZPJMESA-N 1 1 417.517 4.154 20 30 HIEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821634 938945569 /nfs/dbraw/zinc/94/55/69/938945569.db2.gz AJZOWXNHQPOISK-YADHBBJMSA-N 1 1 401.470 4.267 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821634 938945578 /nfs/dbraw/zinc/94/55/78/938945578.db2.gz AJZOWXNHQPOISK-YADHBBJMSA-N 1 1 401.470 4.267 20 30 HIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389933 939227586 /nfs/dbraw/zinc/22/75/86/939227586.db2.gz JPKPFRJUKRABQY-KXBFYZLASA-N 1 1 401.457 4.349 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000540579021 939310450 /nfs/dbraw/zinc/31/04/50/939310450.db2.gz QNZDKXLTPUUFCN-WIYYLYMNSA-N 1 1 408.571 4.008 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000540579021 939310455 /nfs/dbraw/zinc/31/04/55/939310455.db2.gz QNZDKXLTPUUFCN-WIYYLYMNSA-N 1 1 408.571 4.008 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000540885116 939409764 /nfs/dbraw/zinc/40/97/64/939409764.db2.gz ZDRQNLPKUCPZJT-UHFFFAOYSA-N 1 1 400.482 4.046 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c1C#N ZINC000541393111 939503832 /nfs/dbraw/zinc/50/38/32/939503832.db2.gz MJZYVKMFTVOYLY-OAQYLSRUSA-N 1 1 416.525 4.354 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c1C#N ZINC000541393111 939503834 /nfs/dbraw/zinc/50/38/34/939503834.db2.gz MJZYVKMFTVOYLY-OAQYLSRUSA-N 1 1 416.525 4.354 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598674 939563437 /nfs/dbraw/zinc/56/34/37/939563437.db2.gz AERSFVGYJRPMHE-FQEVSTJZSA-N 1 1 419.916 4.416 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541703703 939609874 /nfs/dbraw/zinc/60/98/74/939609874.db2.gz NSFLNGQIJLTDCY-QUCCMNQESA-N 1 1 401.869 4.141 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3CN3CCSCC3)CC2)cc1 ZINC000541901388 939650181 /nfs/dbraw/zinc/65/01/81/939650181.db2.gz CVAACUYMAHFXSP-UHFFFAOYSA-N 1 1 406.599 4.184 20 30 HIEDMO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000542048786 939699240 /nfs/dbraw/zinc/69/92/40/939699240.db2.gz DFAFNYRVURJWMA-UHFFFAOYSA-N 1 1 422.573 4.098 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C2CC2)cc1 ZINC000542248219 939771967 /nfs/dbraw/zinc/77/19/67/939771967.db2.gz ZXLAWETZCZMGKE-XMMPIXPASA-N 1 1 401.535 4.490 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C2CC2)cc1 ZINC000542248219 939771971 /nfs/dbraw/zinc/77/19/71/939771971.db2.gz ZXLAWETZCZMGKE-XMMPIXPASA-N 1 1 401.535 4.490 20 30 HIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000542261601 939776101 /nfs/dbraw/zinc/77/61/01/939776101.db2.gz PCSUBTBMFAVJIB-ICDZXHCJSA-N 1 1 403.526 4.034 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000542410483 939816692 /nfs/dbraw/zinc/81/66/92/939816692.db2.gz OSWISUATWFTYQH-FGZHOGPDSA-N 1 1 408.933 4.331 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000542410483 939816694 /nfs/dbraw/zinc/81/66/94/939816694.db2.gz OSWISUATWFTYQH-FGZHOGPDSA-N 1 1 408.933 4.331 20 30 HIEDMO Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000542529851 939838137 /nfs/dbraw/zinc/83/81/37/939838137.db2.gz VNYPNUMDZSIEJL-HXUWFJFHSA-N 1 1 419.916 4.416 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1c(C)noc1C ZINC000542565137 939844420 /nfs/dbraw/zinc/84/44/20/939844420.db2.gz JUVMDUYNPAMOCC-FQEVSTJZSA-N 1 1 423.492 4.389 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363319 940042474 /nfs/dbraw/zinc/04/24/74/940042474.db2.gz IOBDOUDPZPQAQY-CYFREDJKSA-N 1 1 402.542 4.143 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000563770877 945292474 /nfs/dbraw/zinc/29/24/74/945292474.db2.gz PEFBXMXRGIOUNM-OAHLLOKOSA-N 1 1 405.420 4.053 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000563770877 945292489 /nfs/dbraw/zinc/29/24/89/945292489.db2.gz PEFBXMXRGIOUNM-OAHLLOKOSA-N 1 1 405.420 4.053 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000543503202 940087943 /nfs/dbraw/zinc/08/79/43/940087943.db2.gz GAEFBDMVQPAGNW-ODXCJYRJSA-N 1 1 402.951 4.231 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000543506207 940089077 /nfs/dbraw/zinc/08/90/77/940089077.db2.gz YDSINNVZUHYDDD-ZIAGYGMSSA-N 1 1 404.967 4.431 20 30 HIEDMO O=C(C[NH2+][C@@H](CO)c1cccc(F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000543812863 940195033 /nfs/dbraw/zinc/19/50/33/940195033.db2.gz FCGYZQQHTUKXMH-HNNXBMFYSA-N 1 1 424.316 4.125 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000563816889 945305190 /nfs/dbraw/zinc/30/51/90/945305190.db2.gz WCRPJDCMUASFLJ-APWZRJJASA-N 1 1 409.408 4.246 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)s1 ZINC000544422281 940421679 /nfs/dbraw/zinc/42/16/79/940421679.db2.gz UWDOUDJJXQXYJV-DJJJIMSYSA-N 1 1 400.573 4.383 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000544448997 940434976 /nfs/dbraw/zinc/43/49/76/940434976.db2.gz DKADNHFICRSZFR-IBGZPJMESA-N 1 1 407.543 4.410 20 30 HIEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000544530307 940472811 /nfs/dbraw/zinc/47/28/11/940472811.db2.gz NKZQYRKNMPPQSF-RBUKOAKNSA-N 1 1 412.578 4.011 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000563984917 945336347 /nfs/dbraw/zinc/33/63/47/945336347.db2.gz POQQCZSDIBKUSO-UHFFFAOYSA-N 1 1 417.509 4.324 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000546711015 940871507 /nfs/dbraw/zinc/87/15/07/940871507.db2.gz DUNUEXJGGFTWLP-RBBKRZOGSA-N 1 1 404.514 4.085 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1 ZINC000548826993 941125561 /nfs/dbraw/zinc/12/55/61/941125561.db2.gz YWUILNJJAJZMSA-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1 ZINC000548826993 941125562 /nfs/dbraw/zinc/12/55/62/941125562.db2.gz YWUILNJJAJZMSA-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO C=CCOc1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868146 941220839 /nfs/dbraw/zinc/22/08/39/941220839.db2.gz OVVUWTYKBNJFPY-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868146 941220846 /nfs/dbraw/zinc/22/08/46/941220846.db2.gz OVVUWTYKBNJFPY-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262693 941305130 /nfs/dbraw/zinc/30/51/30/941305130.db2.gz OBLCDGMHEGTXMZ-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262693 941305134 /nfs/dbraw/zinc/30/51/34/941305134.db2.gz OBLCDGMHEGTXMZ-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914945 941381795 /nfs/dbraw/zinc/38/17/95/941381795.db2.gz ZVSWBPBINNBMPH-PXNSSMCTSA-N 1 1 416.447 4.093 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914944 941381976 /nfs/dbraw/zinc/38/19/76/941381976.db2.gz ZVSWBPBINNBMPH-FXAWDEMLSA-N 1 1 416.447 4.093 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 ZINC000551145774 941417625 /nfs/dbraw/zinc/41/76/25/941417625.db2.gz VJTHFIORJGMMPX-UHFFFAOYSA-N 1 1 404.426 4.165 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275743 941441380 /nfs/dbraw/zinc/44/13/80/941441380.db2.gz ZQPLUNUBFLOHEG-MANSERQUSA-N 1 1 407.480 4.194 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CC(F)F)CC2CCC2)c1C#N ZINC000551343337 941457322 /nfs/dbraw/zinc/45/73/22/941457322.db2.gz NZCVWLFQDHCZNW-UHFFFAOYSA-N 1 1 418.488 4.314 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CC(F)F)CC2CCC2)c1C#N ZINC000551343337 941457325 /nfs/dbraw/zinc/45/73/25/941457325.db2.gz NZCVWLFQDHCZNW-UHFFFAOYSA-N 1 1 418.488 4.314 20 30 HIEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000551427121 941477315 /nfs/dbraw/zinc/47/73/15/941477315.db2.gz IYQVXOBFYPUKLQ-QFIPXVFZSA-N 1 1 421.541 4.027 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000551723250 941534034 /nfs/dbraw/zinc/53/40/34/941534034.db2.gz YYGIQQCGGSCDQR-UHFFFAOYSA-N 1 1 422.575 4.063 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000551723250 941534040 /nfs/dbraw/zinc/53/40/40/941534040.db2.gz YYGIQQCGGSCDQR-UHFFFAOYSA-N 1 1 422.575 4.063 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1Cl ZINC000551815904 941551412 /nfs/dbraw/zinc/55/14/12/941551412.db2.gz FAYOBYAPBAGFPV-QKFKETGDSA-N 1 1 422.916 4.287 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000552429414 941668599 /nfs/dbraw/zinc/66/85/99/941668599.db2.gz BZMQXQWXKSIKJF-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000552429414 941668613 /nfs/dbraw/zinc/66/86/13/941668613.db2.gz BZMQXQWXKSIKJF-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000552816150 941774879 /nfs/dbraw/zinc/77/48/79/941774879.db2.gz FLXPOJGMEKMDDR-UHFFFAOYSA-N 1 1 412.537 4.085 20 30 HIEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208042 941849471 /nfs/dbraw/zinc/84/94/71/941849471.db2.gz MZUIFDIZVZJQAQ-MSOLQXFVSA-N 1 1 416.997 4.055 20 30 HIEDMO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000554365015 942115245 /nfs/dbraw/zinc/11/52/45/942115245.db2.gz WYFRLZSIAGPYAV-UHFFFAOYSA-N 1 1 402.494 4.237 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000554365015 942115253 /nfs/dbraw/zinc/11/52/53/942115253.db2.gz WYFRLZSIAGPYAV-UHFFFAOYSA-N 1 1 402.494 4.237 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000555062709 942373730 /nfs/dbraw/zinc/37/37/30/942373730.db2.gz JZZCNVMAVGVDGD-QGZVFWFLSA-N 1 1 420.948 4.373 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000556974729 942986352 /nfs/dbraw/zinc/98/63/52/942986352.db2.gz IWGNKSHHAYRISP-SFHVURJKSA-N 1 1 405.502 4.035 20 30 HIEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000557430863 943121508 /nfs/dbraw/zinc/12/15/08/943121508.db2.gz IAUHDKLBNWLFLC-OAQYLSRUSA-N 1 1 416.550 4.322 20 30 HIEDMO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000557430290 943121742 /nfs/dbraw/zinc/12/17/42/943121742.db2.gz WVWVEDPVRHBPFX-QZTJIDSGSA-N 1 1 416.997 4.197 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc(OC)c1O ZINC000557521538 943187909 /nfs/dbraw/zinc/18/79/09/943187909.db2.gz NUTZDEPBSLTXDI-HXUWFJFHSA-N 1 1 404.514 4.294 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000558860015 943705203 /nfs/dbraw/zinc/70/52/03/943705203.db2.gz HNEJRBFIMHFLRV-QGZVFWFLSA-N 1 1 422.838 4.192 20 30 HIEDMO Cc1cccc(Cc2cnc(NC(=O)C[NH2+]C3(c4cccc(C#N)c4)CC3)s2)c1 ZINC000560173781 944186196 /nfs/dbraw/zinc/18/61/96/944186196.db2.gz SWHJBDPBXRHTAK-UHFFFAOYSA-N 1 1 402.523 4.131 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@@H]1CCCCO1 ZINC000561007329 944394015 /nfs/dbraw/zinc/39/40/15/944394015.db2.gz NNKODICOOOIVEE-FQEVSTJZSA-N 1 1 400.567 4.311 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074684 944430354 /nfs/dbraw/zinc/43/03/54/944430354.db2.gz CYUNBBKJFYCRDS-QFIPXVFZSA-N 1 1 414.509 4.162 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000561976007 944883240 /nfs/dbraw/zinc/88/32/40/944883240.db2.gz XOPNDXQXMFNJEQ-QFIPXVFZSA-N 1 1 403.526 4.074 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000562047617 944911146 /nfs/dbraw/zinc/91/11/46/944911146.db2.gz YBVSXOKUAGHTPJ-UUOWRZLLSA-N 1 1 421.566 4.347 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000562047617 944911154 /nfs/dbraw/zinc/91/11/54/944911154.db2.gz YBVSXOKUAGHTPJ-UUOWRZLLSA-N 1 1 421.566 4.347 20 30 HIEDMO N#CC1(CCC[N@@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CCOCC1 ZINC000564152121 945403156 /nfs/dbraw/zinc/40/31/56/945403156.db2.gz MADLWELFTWEXCX-SFHVURJKSA-N 1 1 418.887 4.208 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000564412530 945564355 /nfs/dbraw/zinc/56/43/55/945564355.db2.gz FEQYCDZFQLDYQS-NRFANRHFSA-N 1 1 420.557 4.026 20 30 HIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000567542478 946368797 /nfs/dbraw/zinc/36/87/97/946368797.db2.gz JKKYEICOFZMSRF-SANMLTNESA-N 1 1 411.354 4.121 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000567542478 946368810 /nfs/dbraw/zinc/36/88/10/946368810.db2.gz JKKYEICOFZMSRF-SANMLTNESA-N 1 1 411.354 4.121 20 30 HIEDMO C=CCn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000567795481 946412978 /nfs/dbraw/zinc/41/29/78/946412978.db2.gz AARJNJKHXQPONN-UHFFFAOYSA-N 1 1 419.495 4.463 20 30 HIEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000568438375 946545463 /nfs/dbraw/zinc/54/54/63/946545463.db2.gz QZFRIEUSKZOMPS-KRWDZBQOSA-N 1 1 407.518 4.052 20 30 HIEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568959953 946780028 /nfs/dbraw/zinc/78/00/28/946780028.db2.gz WSAABINPOMEWKI-QGZVFWFLSA-N 1 1 404.986 4.055 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535877 947279537 /nfs/dbraw/zinc/27/95/37/947279537.db2.gz AXWXZEKHTFYJJE-LEWJYISDSA-N 1 1 400.482 4.120 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535877 947279566 /nfs/dbraw/zinc/27/95/66/947279566.db2.gz AXWXZEKHTFYJJE-LEWJYISDSA-N 1 1 400.482 4.120 20 30 HIEDMO N#Cc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000570833701 947365295 /nfs/dbraw/zinc/36/52/95/947365295.db2.gz AORYQBFNSPXYSS-IBGZPJMESA-N 1 1 405.395 4.169 20 30 HIEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1Cl ZINC000572310991 947881283 /nfs/dbraw/zinc/88/12/83/947881283.db2.gz VDYDDJWVBNYQMB-UHFFFAOYSA-N 1 1 420.900 4.261 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573113495 948080842 /nfs/dbraw/zinc/08/08/42/948080842.db2.gz VBVZEQYKVLJJCX-ICSRJNTNSA-N 1 1 414.912 4.398 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573113495 948080852 /nfs/dbraw/zinc/08/08/52/948080852.db2.gz VBVZEQYKVLJJCX-ICSRJNTNSA-N 1 1 414.912 4.398 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000573410826 948197418 /nfs/dbraw/zinc/19/74/18/948197418.db2.gz IZXJVXKIOZZRDX-KRWDZBQOSA-N 1 1 402.454 4.065 20 30 HIEDMO C[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@H+](C2CCC2)C1 ZINC000573450559 948206017 /nfs/dbraw/zinc/20/60/17/948206017.db2.gz VRKWCXKUXCNPOK-IBGZPJMESA-N 1 1 403.526 4.084 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000573883756 948319850 /nfs/dbraw/zinc/31/98/50/948319850.db2.gz JMBRZHYPQJBYEX-ZLNRFVROSA-N 1 1 406.526 4.382 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006528 948348800 /nfs/dbraw/zinc/34/88/00/948348800.db2.gz SUUNPIRDSQUYRP-DHIUTWEWSA-N 1 1 413.481 4.312 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 ZINC000574562685 948475959 /nfs/dbraw/zinc/47/59/59/948475959.db2.gz CKHPBSMYRYWNQM-HNNXBMFYSA-N 1 1 404.310 4.299 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000574698723 948506126 /nfs/dbraw/zinc/50/61/26/948506126.db2.gz YKKWNDHPNPMYPF-GOSISDBHSA-N 1 1 413.541 4.198 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000574908360 948551292 /nfs/dbraw/zinc/55/12/92/948551292.db2.gz GKWFSVJVUSLJBR-UHFFFAOYSA-N 1 1 403.449 4.361 20 30 HIEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164796385 721499559 /nfs/dbraw/zinc/49/95/59/721499559.db2.gz SYTYIHDIHMBRLG-UHFFFAOYSA-N 1 1 424.552 4.291 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900527 721520551 /nfs/dbraw/zinc/52/05/51/721520551.db2.gz RVZVPCAJPAXLPE-GDBMZVCRSA-N 1 1 421.303 4.050 20 30 HIEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909894 721551755 /nfs/dbraw/zinc/55/17/55/721551755.db2.gz VDLGEOZVZMWZSK-FUHWJXTLSA-N 1 1 422.891 4.241 20 30 HIEDMO N#Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907787 721724289 /nfs/dbraw/zinc/72/42/89/721724289.db2.gz UBZCCYIEUPZOEK-QHCPKHFHSA-N 1 1 419.479 4.239 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164907996 721752680 /nfs/dbraw/zinc/75/26/80/721752680.db2.gz FVWWSKMLESFLRN-UHFFFAOYSA-N 1 1 409.493 4.289 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164907996 721752682 /nfs/dbraw/zinc/75/26/82/721752682.db2.gz FVWWSKMLESFLRN-UHFFFAOYSA-N 1 1 409.493 4.289 20 30 HIEDMO COc1cc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc(OC)c1 ZINC000010028180 845612995 /nfs/dbraw/zinc/61/29/95/845612995.db2.gz FXMPKDOZEDZCRM-SFHVURJKSA-N 1 1 421.541 4.247 20 30 HIEDMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(C#N)cc4)CC2)n1)CCCC3 ZINC000015129814 846012032 /nfs/dbraw/zinc/01/20/32/846012032.db2.gz XQXFYSOPEBREFI-UHFFFAOYSA-N 1 1 403.555 4.072 20 30 HIEDMO CC[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000025757018 847031576 /nfs/dbraw/zinc/03/15/76/847031576.db2.gz MZGCMCKPJRKESX-HXUWFJFHSA-N 1 1 407.543 4.453 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299686 847120125 /nfs/dbraw/zinc/12/01/25/847120125.db2.gz IZWBOMWONLYXPO-QGZVFWFLSA-N 1 1 407.543 4.177 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299686 847120127 /nfs/dbraw/zinc/12/01/27/847120127.db2.gz IZWBOMWONLYXPO-QGZVFWFLSA-N 1 1 407.543 4.177 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330954 847126758 /nfs/dbraw/zinc/12/67/58/847126758.db2.gz TZTLNNIMZBWLRB-KRWDZBQOSA-N 1 1 405.498 4.449 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330954 847126766 /nfs/dbraw/zinc/12/67/66/847126766.db2.gz TZTLNNIMZBWLRB-KRWDZBQOSA-N 1 1 405.498 4.449 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953415 847367154 /nfs/dbraw/zinc/36/71/54/847367154.db2.gz DRGSNNBCADFJIT-RTBURBONSA-N 1 1 411.571 4.002 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953420 847367344 /nfs/dbraw/zinc/36/73/44/847367344.db2.gz DRGSNNBCADFJIT-RBUKOAKNSA-N 1 1 411.571 4.002 20 30 HIEDMO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960677 847484895 /nfs/dbraw/zinc/48/48/95/847484895.db2.gz CBOFTGQWSGMURG-UHFFFAOYSA-N 1 1 404.558 4.137 20 30 HIEDMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984640 847663951 /nfs/dbraw/zinc/66/39/51/847663951.db2.gz OVSPREIPGMKDGZ-FQEVSTJZSA-N 1 1 419.569 4.358 20 30 HIEDMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984640 847663954 /nfs/dbraw/zinc/66/39/54/847663954.db2.gz OVSPREIPGMKDGZ-FQEVSTJZSA-N 1 1 419.569 4.358 20 30 HIEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000032056796 847983071 /nfs/dbraw/zinc/98/30/71/847983071.db2.gz RBOCENMZQBUXST-HDICACEKSA-N 1 1 423.582 4.327 20 30 HIEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000032056796 847983077 /nfs/dbraw/zinc/98/30/77/847983077.db2.gz RBOCENMZQBUXST-HDICACEKSA-N 1 1 423.582 4.327 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC000032369231 848014618 /nfs/dbraw/zinc/01/46/18/848014618.db2.gz ANDWVKJQRORBHD-UHFFFAOYSA-N 1 1 420.582 4.119 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043349689 848413463 /nfs/dbraw/zinc/41/34/63/848413463.db2.gz QIESYSYFYAWTBH-UHFFFAOYSA-N 1 1 412.921 4.269 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043349689 848413470 /nfs/dbraw/zinc/41/34/70/848413470.db2.gz QIESYSYFYAWTBH-UHFFFAOYSA-N 1 1 412.921 4.269 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000043879273 848485791 /nfs/dbraw/zinc/48/57/91/848485791.db2.gz BJGDGTQNAWJZPR-UHFFFAOYSA-N 1 1 418.419 4.197 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000043879273 848485799 /nfs/dbraw/zinc/48/57/99/848485799.db2.gz BJGDGTQNAWJZPR-UHFFFAOYSA-N 1 1 418.419 4.197 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047127795 848990278 /nfs/dbraw/zinc/99/02/78/848990278.db2.gz PFUYFJRLCLTJPK-OALUTQOASA-N 1 1 413.587 4.255 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508531 849590126 /nfs/dbraw/zinc/59/01/26/849590126.db2.gz KDXAOMGBOPNSRF-LJQANCHMSA-N 1 1 411.509 4.089 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801366 849628392 /nfs/dbraw/zinc/62/83/92/849628392.db2.gz KKDPGDPTWPLVAV-LJQANCHMSA-N 1 1 404.558 4.222 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801366 849628407 /nfs/dbraw/zinc/62/84/07/849628407.db2.gz KKDPGDPTWPLVAV-LJQANCHMSA-N 1 1 404.558 4.222 20 30 HIEDMO N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000058813131 850934722 /nfs/dbraw/zinc/93/47/22/850934722.db2.gz TVZSKJMJXSMLPQ-NRFANRHFSA-N 1 1 415.459 4.361 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)sc2c1CCCC2 ZINC000060090330 851039841 /nfs/dbraw/zinc/03/98/41/851039841.db2.gz ZHXIQXAACMJZKK-QGZVFWFLSA-N 1 1 413.543 4.101 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000105422278 852704262 /nfs/dbraw/zinc/70/42/62/852704262.db2.gz HTOKXJYWSHPUJW-HNNXBMFYSA-N 1 1 415.584 4.180 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](Cc3ccccc3)CC1)CCCC2 ZINC000105541407 852712436 /nfs/dbraw/zinc/71/24/36/852712436.db2.gz MQCJZOLKNPQOEW-UHFFFAOYSA-N 1 1 422.598 4.035 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(Cc3ccccc3)CC1)CCCC2 ZINC000105541407 852712449 /nfs/dbraw/zinc/71/24/49/852712449.db2.gz MQCJZOLKNPQOEW-UHFFFAOYSA-N 1 1 422.598 4.035 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(Cc3ccccc3)CC1)CCCC2 ZINC000105541407 852712454 /nfs/dbraw/zinc/71/24/54/852712454.db2.gz MQCJZOLKNPQOEW-UHFFFAOYSA-N 1 1 422.598 4.035 20 30 HIEDMO C#CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCc2ccccc21 ZINC000110981751 853178708 /nfs/dbraw/zinc/17/87/08/853178708.db2.gz CLVPGGTWGDULJP-DEOSSOPVSA-N 1 1 412.537 4.440 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000112543723 853231932 /nfs/dbraw/zinc/23/19/32/853231932.db2.gz ALGJDECCBGDROT-UHFFFAOYSA-N 1 1 402.473 4.166 20 30 HIEDMO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000116723734 853328939 /nfs/dbraw/zinc/32/89/39/853328939.db2.gz RAYXZTNMVVXXCR-QHCPKHFHSA-N 1 1 407.583 4.409 20 30 HIEDMO CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000116723734 853328950 /nfs/dbraw/zinc/32/89/50/853328950.db2.gz RAYXZTNMVVXXCR-QHCPKHFHSA-N 1 1 407.583 4.409 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000165880603 853653958 /nfs/dbraw/zinc/65/39/58/853653958.db2.gz GYKYUEYPHCBIHU-GOSISDBHSA-N 1 1 409.555 4.118 20 30 HIEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000227244184 853883647 /nfs/dbraw/zinc/88/36/47/853883647.db2.gz DPCQBQKBZXDAMT-AAXCNWCCSA-N 1 1 408.546 4.327 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 ZINC000237473341 854040984 /nfs/dbraw/zinc/04/09/84/854040984.db2.gz AKTKWZXZVCTBSM-QFIPXVFZSA-N 1 1 412.461 4.119 20 30 HIEDMO Cc1cc(C)c2ncc(C#N)c(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2c1 ZINC000301364204 854372052 /nfs/dbraw/zinc/37/20/52/854372052.db2.gz RPVOAJMXHGJSTD-UHFFFAOYSA-N 1 1 413.525 4.238 20 30 HIEDMO COc1cccc([C@H]2[C@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000302050688 854522595 /nfs/dbraw/zinc/52/25/95/854522595.db2.gz ORCLPGZQDRXADM-MJGOQNOKSA-N 1 1 402.420 4.371 20 30 HIEDMO C[N@@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302696217 854606881 /nfs/dbraw/zinc/60/68/81/854606881.db2.gz WLHAQGLTEVXPFM-PZJWPPBQSA-N 1 1 409.396 4.150 20 30 HIEDMO C[N@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302696217 854606893 /nfs/dbraw/zinc/60/68/93/854606893.db2.gz WLHAQGLTEVXPFM-PZJWPPBQSA-N 1 1 409.396 4.150 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 ZINC000303385185 854902695 /nfs/dbraw/zinc/90/26/95/854902695.db2.gz NNVMXUTUBJAOTE-FQEVSTJZSA-N 1 1 422.598 4.003 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303387032 854903273 /nfs/dbraw/zinc/90/32/73/854903273.db2.gz NXTZFMUPJSONJU-IBGZPJMESA-N 1 1 408.571 4.232 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000303387032 854903287 /nfs/dbraw/zinc/90/32/87/854903287.db2.gz NXTZFMUPJSONJU-IBGZPJMESA-N 1 1 408.571 4.232 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000303419178 854921041 /nfs/dbraw/zinc/92/10/41/854921041.db2.gz XTXJYACUJHRCOX-INIZCTEOSA-N 1 1 401.507 4.027 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000303419178 854921049 /nfs/dbraw/zinc/92/10/49/854921049.db2.gz XTXJYACUJHRCOX-INIZCTEOSA-N 1 1 401.507 4.027 20 30 HIEDMO CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303441272 854940172 /nfs/dbraw/zinc/94/01/72/854940172.db2.gz HULNOFPTBRESOC-HSZRJFAPSA-N 1 1 405.542 4.035 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773948 855189635 /nfs/dbraw/zinc/18/96/35/855189635.db2.gz RFCUCNOIQKKQHS-QUCCMNQESA-N 1 1 407.489 4.056 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773948 855189640 /nfs/dbraw/zinc/18/96/40/855189640.db2.gz RFCUCNOIQKKQHS-QUCCMNQESA-N 1 1 407.489 4.056 20 30 HIEDMO CC1CCN([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000303789291 855199565 /nfs/dbraw/zinc/19/95/65/855199565.db2.gz VFPLYXZCHUUPJR-SFHVURJKSA-N 1 1 414.575 4.109 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000303936956 855304278 /nfs/dbraw/zinc/30/42/78/855304278.db2.gz YADVBQFGZZOQDE-PMACEKPBSA-N 1 1 422.598 4.083 20 30 HIEDMO COc1ccc(-c2n[nH]c(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)n2)cc1 ZINC000304506252 855356248 /nfs/dbraw/zinc/35/62/48/855356248.db2.gz RAZWDGBPDXTQBL-UHFFFAOYSA-N 1 1 414.469 4.199 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000409498950 855510477 /nfs/dbraw/zinc/51/04/77/855510477.db2.gz GAISRLUVNHDFMK-HNNXBMFYSA-N 1 1 412.347 4.018 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000409498953 855510572 /nfs/dbraw/zinc/51/05/72/855510572.db2.gz GAISRLUVNHDFMK-OAHLLOKOSA-N 1 1 412.347 4.018 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000437397723 862739917 /nfs/dbraw/zinc/73/99/17/862739917.db2.gz PORZEUNZXXEAGH-HNNXBMFYSA-N 1 1 420.847 4.059 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000437397723 862739943 /nfs/dbraw/zinc/73/99/43/862739943.db2.gz PORZEUNZXXEAGH-HNNXBMFYSA-N 1 1 420.847 4.059 20 30 HIEDMO C=C[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000426080027 856093153 /nfs/dbraw/zinc/09/31/53/856093153.db2.gz WRNBHUCYZSLYTH-LJQANCHMSA-N 1 1 406.368 4.164 20 30 HIEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426432264 856288177 /nfs/dbraw/zinc/28/81/77/856288177.db2.gz GPAOMUIQRBVHMX-MRXNPFEDSA-N 1 1 420.397 4.180 20 30 HIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCn2c(C)ncc2[N+](=O)[O-])c(OCC)c1 ZINC000426577919 856357866 /nfs/dbraw/zinc/35/78/66/856357866.db2.gz FOAVZOHROYVWKL-IBGZPJMESA-N 1 1 414.506 4.118 20 30 HIEDMO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000426994930 856585495 /nfs/dbraw/zinc/58/54/95/856585495.db2.gz LBRZNSQCTYYGJB-JXFKEZNVSA-N 1 1 410.587 4.160 20 30 HIEDMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC#Cc4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000427002998 856589556 /nfs/dbraw/zinc/58/95/56/856589556.db2.gz SSGFWCYPSHBEBY-INIZCTEOSA-N 1 1 422.912 4.006 20 30 HIEDMO CN(C(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)C1(C#N)CCCCC1 ZINC000428648117 857289120 /nfs/dbraw/zinc/28/91/20/857289120.db2.gz IYKOZFWCYBQKOT-UHFFFAOYSA-N 1 1 402.542 4.398 20 30 HIEDMO COc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004140 857452839 /nfs/dbraw/zinc/45/28/39/857452839.db2.gz IVYAQLJJOZUKLS-HSZRJFAPSA-N 1 1 406.526 4.394 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429240020 857568775 /nfs/dbraw/zinc/56/87/75/857568775.db2.gz WNPZKESKFUOZAX-FQEVSTJZSA-N 1 1 412.578 4.169 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429240020 857568784 /nfs/dbraw/zinc/56/87/84/857568784.db2.gz WNPZKESKFUOZAX-FQEVSTJZSA-N 1 1 412.578 4.169 20 30 HIEDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289103 857591556 /nfs/dbraw/zinc/59/15/56/857591556.db2.gz XTPGTFVIJOGBPN-GOSISDBHSA-N 1 1 402.608 4.495 20 30 HIEDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289103 857591562 /nfs/dbraw/zinc/59/15/62/857591562.db2.gz XTPGTFVIJOGBPN-GOSISDBHSA-N 1 1 402.608 4.495 20 30 HIEDMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430164059 858060519 /nfs/dbraw/zinc/06/05/19/858060519.db2.gz ISDVEVPSTNBGFZ-QGZVFWFLSA-N 1 1 401.894 4.057 20 30 HIEDMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430164059 858060525 /nfs/dbraw/zinc/06/05/25/858060525.db2.gz ISDVEVPSTNBGFZ-QGZVFWFLSA-N 1 1 401.894 4.057 20 30 HIEDMO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826150 858319061 /nfs/dbraw/zinc/31/90/61/858319061.db2.gz GAGAMBYIDHBOMZ-PGRDOPGGSA-N 1 1 401.514 4.093 20 30 HIEDMO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431419100 858605533 /nfs/dbraw/zinc/60/55/33/858605533.db2.gz CRTXLQUOTMAPGB-ZTCOLXNVSA-N 1 1 417.553 4.101 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901798 858862733 /nfs/dbraw/zinc/86/27/33/858862733.db2.gz YHCVPIMGJQONIS-BJKOFHAPSA-N 1 1 420.557 4.012 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917216 858869391 /nfs/dbraw/zinc/86/93/91/858869391.db2.gz UTCMXUJBBNSURY-GOTSBHOMSA-N 1 1 422.598 4.338 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917216 858869394 /nfs/dbraw/zinc/86/93/94/858869394.db2.gz UTCMXUJBBNSURY-GOTSBHOMSA-N 1 1 422.598 4.338 20 30 HIEDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)C1 ZINC000432855006 859390121 /nfs/dbraw/zinc/39/01/21/859390121.db2.gz UDBKUVSDOIPFDQ-QHCPKHFHSA-N 1 1 424.932 4.350 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306094 859629493 /nfs/dbraw/zinc/62/94/93/859629493.db2.gz ROZIEWZSKJHNMQ-NVXWUHKLSA-N 1 1 412.331 4.212 20 30 HIEDMO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337454 859652123 /nfs/dbraw/zinc/65/21/23/859652123.db2.gz ZACMTZKXLYUWKM-HXUWFJFHSA-N 1 1 414.557 4.174 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)C2=O)cc1 ZINC000433698344 859841995 /nfs/dbraw/zinc/84/19/95/859841995.db2.gz VUXVXBPESFJYBJ-QFIPXVFZSA-N 1 1 403.432 4.321 20 30 HIEDMO N#Cc1ccsc1N1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1=O ZINC000433698711 859842396 /nfs/dbraw/zinc/84/23/96/859842396.db2.gz YWUGMEQJFSFSKM-IBGZPJMESA-N 1 1 409.461 4.382 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c2ccc(F)cc2)cc1 ZINC000433699183 859842453 /nfs/dbraw/zinc/84/24/53/859842453.db2.gz LFRAIMKZUSFQPI-LEWJYISDSA-N 1 1 421.497 4.252 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccc(Br)cc2)C(C)C)c(C#N)c1C ZINC000434714039 860467305 /nfs/dbraw/zinc/46/73/05/860467305.db2.gz MQZZTTFSPMLDSP-UHFFFAOYSA-N 1 1 404.308 4.380 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(Br)cc2)C(C)C)c(C#N)c1C ZINC000434714039 860467308 /nfs/dbraw/zinc/46/73/08/860467308.db2.gz MQZZTTFSPMLDSP-UHFFFAOYSA-N 1 1 404.308 4.380 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1OC ZINC000435057322 860619949 /nfs/dbraw/zinc/61/99/49/860619949.db2.gz JZQWTLACNWPRCL-UHFFFAOYSA-N 1 1 420.351 4.365 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126240 860652813 /nfs/dbraw/zinc/65/28/13/860652813.db2.gz KRJKJXZZNCTNKC-OAQYLSRUSA-N 1 1 407.905 4.165 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136101 860658397 /nfs/dbraw/zinc/65/83/97/860658397.db2.gz YKMYMKIQERCDIM-HXUWFJFHSA-N 1 1 407.543 4.101 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1N1CCCC1 ZINC000435137422 860659241 /nfs/dbraw/zinc/65/92/41/860659241.db2.gz LJLATXXNGOZDOD-UHFFFAOYSA-N 1 1 400.530 4.091 20 30 HIEDMO N#CCCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000435614333 860916533 /nfs/dbraw/zinc/91/65/33/860916533.db2.gz FHHWMGPHZRPXGV-OAQYLSRUSA-N 1 1 400.526 4.339 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435900346 861157661 /nfs/dbraw/zinc/15/76/61/861157661.db2.gz ARQXZXAVXJSXLW-UZLBHIALSA-N 1 1 409.473 4.129 20 30 HIEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437745461 863071196 /nfs/dbraw/zinc/07/11/96/863071196.db2.gz GQBLPCLVZJFZQJ-UHFFFAOYSA-N 1 1 421.476 4.335 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437763689 863084820 /nfs/dbraw/zinc/08/48/20/863084820.db2.gz MNQGPQPXRZLYLR-OTNPHJDUSA-N 1 1 423.960 4.283 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437763689 863084835 /nfs/dbraw/zinc/08/48/35/863084835.db2.gz MNQGPQPXRZLYLR-OTNPHJDUSA-N 1 1 423.960 4.283 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4ccc(Cl)cc4n3)CC2)cc1 ZINC000438262689 863728357 /nfs/dbraw/zinc/72/83/57/863728357.db2.gz UMIBPQIOAHMKSW-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4ccc(Cl)cc4n3)CC2)cc1 ZINC000438262689 863728366 /nfs/dbraw/zinc/72/83/66/863728366.db2.gz UMIBPQIOAHMKSW-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)cs1 ZINC000438478819 863896215 /nfs/dbraw/zinc/89/62/15/863896215.db2.gz YAROEUAPFOWHDO-QGZVFWFLSA-N 1 1 403.979 4.063 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)cs1 ZINC000438478819 863896217 /nfs/dbraw/zinc/89/62/17/863896217.db2.gz YAROEUAPFOWHDO-QGZVFWFLSA-N 1 1 403.979 4.063 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1)C(C)C ZINC000438597950 864025286 /nfs/dbraw/zinc/02/52/86/864025286.db2.gz OONIRGDXOCWPGR-UHFFFAOYSA-N 1 1 420.557 4.304 20 30 HIEDMO O=C(Nc1ccccc1)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438804787 864295391 /nfs/dbraw/zinc/29/53/91/864295391.db2.gz YGJVHMLWDQHWII-UHFFFAOYSA-N 1 1 417.431 4.223 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000438927155 864406443 /nfs/dbraw/zinc/40/64/43/864406443.db2.gz PPDKHRNBMFKDEB-FQEVSTJZSA-N 1 1 415.459 4.393 20 30 HIEDMO CC[C@@](C)(O)C[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000439277078 864695858 /nfs/dbraw/zinc/69/58/58/864695858.db2.gz RQBOFKXNEZSGLY-RUZDIDTESA-N 1 1 407.558 4.213 20 30 HIEDMO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684166 865019711 /nfs/dbraw/zinc/01/97/11/865019711.db2.gz KNWACPDMCUNJKO-IEBWSBKVSA-N 1 1 408.550 4.033 20 30 HIEDMO CCCc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000439693456 865029457 /nfs/dbraw/zinc/02/94/57/865029457.db2.gz SMWCGARKDOIGLM-IBGZPJMESA-N 1 1 408.550 4.035 20 30 HIEDMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC#Cc4cccc(Cl)c4)CC3)cc2NC1=O ZINC000439793776 865114531 /nfs/dbraw/zinc/11/45/31/865114531.db2.gz MTCKAKOWDDQGKL-INIZCTEOSA-N 1 1 422.912 4.006 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3cccc(Br)c3C#N)CC2)oc1C ZINC000439951426 865245289 /nfs/dbraw/zinc/24/52/89/865245289.db2.gz FBCMWHSGNFQKFF-UHFFFAOYSA-N 1 1 403.324 4.250 20 30 HIEDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000440052886 865329361 /nfs/dbraw/zinc/32/93/61/865329361.db2.gz PSQBNCQQVZBSAI-UHFFFAOYSA-N 1 1 415.534 4.404 20 30 HIEDMO N#Cc1ccsc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426445 865726422 /nfs/dbraw/zinc/72/64/22/865726422.db2.gz BTJVPPOVJJWQRJ-MRXNPFEDSA-N 1 1 407.461 4.146 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000440543405 865812339 /nfs/dbraw/zinc/81/23/39/865812339.db2.gz MOFPXBWXVZDWFX-RCZVLFRGSA-N 1 1 419.569 4.332 20 30 HIEDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440677140 865863073 /nfs/dbraw/zinc/86/30/73/865863073.db2.gz XJILVSFOSGWOPH-HNNXBMFYSA-N 1 1 422.330 4.147 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441037637 866101764 /nfs/dbraw/zinc/10/17/64/866101764.db2.gz UHIXZZHQHAGHOP-WWMYMODYSA-N 1 1 409.555 4.201 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441037637 866101787 /nfs/dbraw/zinc/10/17/87/866101787.db2.gz UHIXZZHQHAGHOP-WWMYMODYSA-N 1 1 409.555 4.201 20 30 HIEDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000441056123 866132040 /nfs/dbraw/zinc/13/20/40/866132040.db2.gz CZQDJJXZZIWDIX-JOCHJYFZSA-N 1 1 422.573 4.303 20 30 HIEDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000441056123 866132051 /nfs/dbraw/zinc/13/20/51/866132051.db2.gz CZQDJJXZZIWDIX-JOCHJYFZSA-N 1 1 422.573 4.303 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095793 866192131 /nfs/dbraw/zinc/19/21/31/866192131.db2.gz RPINJRLTLFXSBY-GDBMZVCRSA-N 1 1 420.460 4.018 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095793 866192146 /nfs/dbraw/zinc/19/21/46/866192146.db2.gz RPINJRLTLFXSBY-GDBMZVCRSA-N 1 1 420.460 4.018 20 30 HIEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+](C)C1CCC1)c1ccc2c(c1)OCCO2 ZINC000441339780 866411392 /nfs/dbraw/zinc/41/13/92/866411392.db2.gz IHCILZRFGCJECO-UHFFFAOYSA-N 1 1 422.525 4.040 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000441469197 866546568 /nfs/dbraw/zinc/54/65/68/866546568.db2.gz DGCKLWXFLNVCIN-DEOSSOPVSA-N 1 1 420.557 4.235 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cccc(Cl)c2)cc1 ZINC000443452568 868040968 /nfs/dbraw/zinc/04/09/68/868040968.db2.gz JMONNFCNUZBEQS-XZOQPEGZSA-N 1 1 411.933 4.226 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000443597901 868152509 /nfs/dbraw/zinc/15/25/09/868152509.db2.gz CIZWHJRIQHRPQW-UHFFFAOYSA-N 1 1 410.606 4.138 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657408 868260806 /nfs/dbraw/zinc/26/08/06/868260806.db2.gz NQINFUWKKOPGFM-ROUUACIJSA-N 1 1 420.488 4.482 20 30 HIEDMO Cc1ccc(-c2nnc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468275963 882197391 /nfs/dbraw/zinc/19/73/91/882197391.db2.gz GIEKFBMAUMHTET-HXUWFJFHSA-N 1 1 415.541 4.494 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1CCCC2 ZINC000444172852 868648603 /nfs/dbraw/zinc/64/86/03/868648603.db2.gz SGQOMTCHHNJHHP-IBGZPJMESA-N 1 1 423.582 4.366 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444204408 868664845 /nfs/dbraw/zinc/66/48/45/868664845.db2.gz IGHBZLJKJLWLCN-PKOBYXMFSA-N 1 1 401.576 4.443 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444215021 868669779 /nfs/dbraw/zinc/66/97/79/868669779.db2.gz SAWDIDAYPCAGEE-IEBWSBKVSA-N 1 1 401.576 4.300 20 30 HIEDMO N#CC(CC[NH+]1CCC(CCN2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000444602527 868898744 /nfs/dbraw/zinc/89/87/44/868898744.db2.gz KEKYVWDQLDRUKZ-UHFFFAOYSA-N 1 1 417.597 4.321 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444697792 868962620 /nfs/dbraw/zinc/96/26/20/868962620.db2.gz YYERWIUXBRYDFW-INIZCTEOSA-N 1 1 422.451 4.221 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c1C#N ZINC000444730929 868981788 /nfs/dbraw/zinc/98/17/88/868981788.db2.gz IJHCGTBIADDBLS-UHFFFAOYSA-N 1 1 408.477 4.136 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c1C#N ZINC000444730929 868981795 /nfs/dbraw/zinc/98/17/95/868981795.db2.gz IJHCGTBIADDBLS-UHFFFAOYSA-N 1 1 408.477 4.136 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000447730271 871679525 /nfs/dbraw/zinc/67/95/25/871679525.db2.gz QXVMYDKNRHPYSI-IQGLISFBSA-N 1 1 413.452 4.463 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000447730271 871679532 /nfs/dbraw/zinc/67/95/32/871679532.db2.gz QXVMYDKNRHPYSI-IQGLISFBSA-N 1 1 413.452 4.463 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000448195514 872079221 /nfs/dbraw/zinc/07/92/21/872079221.db2.gz CWFJRTNWZPDVFR-RCZVLFRGSA-N 1 1 415.537 4.226 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000448226880 872140955 /nfs/dbraw/zinc/14/09/55/872140955.db2.gz WJDBXTTWZGTBPY-IBGZPJMESA-N 1 1 411.575 4.095 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](Nc4cccc(Br)c4)C3)n2c1 ZINC000448359946 872308310 /nfs/dbraw/zinc/30/83/10/872308310.db2.gz QGLJRJWLTLORDK-GOSISDBHSA-N 1 1 410.319 4.045 20 30 HIEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468568224 882628431 /nfs/dbraw/zinc/62/84/31/882628431.db2.gz BVQJJEOJRLSMSS-STQMWFEESA-N 1 1 422.476 4.436 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460195408 872768818 /nfs/dbraw/zinc/76/88/18/872768818.db2.gz IAQHLOJZOFFXJO-AUSIDOKSSA-N 1 1 414.557 4.326 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460283807 872872272 /nfs/dbraw/zinc/87/22/72/872872272.db2.gz OJSALGRXNBKIAK-XXBNENTESA-N 1 1 414.557 4.326 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460381043 873021692 /nfs/dbraw/zinc/02/16/92/873021692.db2.gz PULOMIGGYPVSIV-UHFFFAOYSA-N 1 1 410.953 4.215 20 30 HIEDMO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460381703 873023308 /nfs/dbraw/zinc/02/33/08/873023308.db2.gz ABYGUDFTPBKEMX-SZPZYZBQSA-N 1 1 417.557 4.299 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460564142 873293085 /nfs/dbraw/zinc/29/30/85/873293085.db2.gz FDKDICZZYYMTPS-FQEVSTJZSA-N 1 1 415.969 4.071 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460786521 873645011 /nfs/dbraw/zinc/64/50/11/873645011.db2.gz KCXITTYUFGLQNS-WMZOPIPTSA-N 1 1 417.985 4.492 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460810554 873688583 /nfs/dbraw/zinc/68/85/83/873688583.db2.gz DADCBDPTWXBGIP-TZIWHRDSSA-N 1 1 406.578 4.024 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460927075 873832115 /nfs/dbraw/zinc/83/21/15/873832115.db2.gz MQQWSLYADKJHHO-RUZDIDTESA-N 1 1 416.573 4.342 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460947157 873845730 /nfs/dbraw/zinc/84/57/30/873845730.db2.gz FDSRLSIBTSABBN-QGZVFWFLSA-N 1 1 403.958 4.180 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460953195 873850472 /nfs/dbraw/zinc/85/04/72/873850472.db2.gz SAMKCGHHRNPWGM-JAXLGGSGSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460961246 873857444 /nfs/dbraw/zinc/85/74/44/873857444.db2.gz SUDNNBWRCLMXSV-GHTZIAJQSA-N 1 1 404.562 4.236 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000461460932 874521002 /nfs/dbraw/zinc/52/10/02/874521002.db2.gz QINVPVBDXIOTIC-UHFFFAOYSA-N 1 1 406.917 4.481 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000461985938 875105198 /nfs/dbraw/zinc/10/51/98/875105198.db2.gz OOJBOGYOPXLIJJ-GOSISDBHSA-N 1 1 404.514 4.033 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000468884005 882922788 /nfs/dbraw/zinc/92/27/88/882922788.db2.gz FXDSLAASITTWER-HXUWFJFHSA-N 1 1 418.310 4.029 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000462725433 875801871 /nfs/dbraw/zinc/80/18/71/875801871.db2.gz LVXNNIKFEVCVGQ-UHFFFAOYSA-N 1 1 419.491 4.312 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000462788369 875841486 /nfs/dbraw/zinc/84/14/86/875841486.db2.gz GUVWTOFJPCEDKO-KRWDZBQOSA-N 1 1 415.497 5.001 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)c(F)c2)c1 ZINC000463246131 876303618 /nfs/dbraw/zinc/30/36/18/876303618.db2.gz HHJIFMHYFJMYKX-ZVGUJKQYSA-N 1 1 404.482 4.130 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000463754340 876877638 /nfs/dbraw/zinc/87/76/38/876877638.db2.gz GSUFCPMCQVIQAD-QZTJIDSGSA-N 1 1 410.514 4.122 20 30 HIEDMO N#CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469010751 883077846 /nfs/dbraw/zinc/07/78/46/883077846.db2.gz OEAASHSWOHQQDV-XZOQPEGZSA-N 1 1 407.945 4.318 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469013545 883080629 /nfs/dbraw/zinc/08/06/29/883080629.db2.gz MJQBJRSGNPJYEV-UHFFFAOYSA-N 1 1 414.509 4.197 20 30 HIEDMO N#C[C@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464478573 877699685 /nfs/dbraw/zinc/69/96/85/877699685.db2.gz UZWXSZGEDXHSIT-KRWDZBQOSA-N 1 1 405.445 4.139 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464777542 878020507 /nfs/dbraw/zinc/02/05/07/878020507.db2.gz VGBASQBTMXKPNS-HXUWFJFHSA-N 1 1 423.582 4.446 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464850899 878127423 /nfs/dbraw/zinc/12/74/23/878127423.db2.gz PIMCZKHIYVSDGC-SFTDATJTSA-N 1 1 422.548 4.057 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCOCc2ccccc2)c1C#N ZINC000464854078 878134252 /nfs/dbraw/zinc/13/42/52/878134252.db2.gz PTTUKPDIIBQWQS-UHFFFAOYSA-N 1 1 408.546 4.179 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c1C#N ZINC000464854078 878134264 /nfs/dbraw/zinc/13/42/64/878134264.db2.gz PTTUKPDIIBQWQS-UHFFFAOYSA-N 1 1 408.546 4.179 20 30 HIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464982438 878329700 /nfs/dbraw/zinc/32/97/00/878329700.db2.gz ZNNOQLWLSSTEOL-HSZRJFAPSA-N 1 1 405.542 4.088 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438207 912449587 /nfs/dbraw/zinc/44/95/87/912449587.db2.gz SUUBWXFICIIYEW-LPHOPBHVSA-N 1 1 417.962 4.058 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000465956171 879624047 /nfs/dbraw/zinc/62/40/47/879624047.db2.gz OPBDFLVIXDAYCO-UHFFFAOYSA-N 1 1 404.967 4.472 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCn1cc[nH+]c1C ZINC000466004655 879683398 /nfs/dbraw/zinc/68/33/98/879683398.db2.gz JOUHSBGSRDQVDL-UHFFFAOYSA-N 1 1 423.330 4.271 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466106443 879822181 /nfs/dbraw/zinc/82/21/81/879822181.db2.gz RZTPAAINTRHKJP-UNMCSNQZSA-N 1 1 408.571 4.400 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000466608344 880377215 /nfs/dbraw/zinc/37/72/15/880377215.db2.gz HOYAMALCMQKKGH-FPOVZHCZSA-N 1 1 421.545 4.186 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466607290 880377466 /nfs/dbraw/zinc/37/74/66/880377466.db2.gz DMERHCCBOXNCBE-OAQYLSRUSA-N 1 1 421.545 4.140 20 30 HIEDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116672 880873433 /nfs/dbraw/zinc/87/34/33/880873433.db2.gz IVUHRLQNTRLODI-GOSISDBHSA-N 1 1 413.543 4.404 20 30 HIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116673 880873887 /nfs/dbraw/zinc/87/38/87/880873887.db2.gz IVUHRLQNTRLODI-SFHVURJKSA-N 1 1 413.543 4.404 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000467152111 880888836 /nfs/dbraw/zinc/88/88/36/880888836.db2.gz NZKXSIZWLVBEBS-SFHVURJKSA-N 1 1 402.498 4.303 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000467152111 880888837 /nfs/dbraw/zinc/88/88/37/880888837.db2.gz NZKXSIZWLVBEBS-SFHVURJKSA-N 1 1 402.498 4.303 20 30 HIEDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467263647 881001303 /nfs/dbraw/zinc/00/13/03/881001303.db2.gz BJZODNWHTDCMKV-LJQANCHMSA-N 1 1 400.567 4.169 20 30 HIEDMO N#Cc1ccc(OCC[N@H+](Cc2cccc(Br)c2)C2CCOCC2)cc1 ZINC000467293293 881039277 /nfs/dbraw/zinc/03/92/77/881039277.db2.gz YWDIGKMLUDXZGU-UHFFFAOYSA-N 1 1 415.331 4.381 20 30 HIEDMO N#Cc1c(F)cccc1N1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000503563560 912639698 /nfs/dbraw/zinc/63/96/98/912639698.db2.gz ULCJTBUSNPABCG-UHFFFAOYSA-N 1 1 411.278 4.335 20 30 HIEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510910 881326123 /nfs/dbraw/zinc/32/61/23/881326123.db2.gz ARQNCVSHECCHKQ-HXUWFJFHSA-N 1 1 414.933 4.146 20 30 HIEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510910 881326141 /nfs/dbraw/zinc/32/61/41/881326141.db2.gz ARQNCVSHECCHKQ-HXUWFJFHSA-N 1 1 414.933 4.146 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469193092 883292658 /nfs/dbraw/zinc/29/26/58/883292658.db2.gz HKMBQXZHHYPTPJ-QUCCMNQESA-N 1 1 409.555 4.310 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469193092 883292676 /nfs/dbraw/zinc/29/26/76/883292676.db2.gz HKMBQXZHHYPTPJ-QUCCMNQESA-N 1 1 409.555 4.310 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469209014 883309174 /nfs/dbraw/zinc/30/91/74/883309174.db2.gz CODWLMLHSVDLJH-UWJYYQICSA-N 1 1 406.511 4.088 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1)CC(C)C ZINC000469235394 883335401 /nfs/dbraw/zinc/33/54/01/883335401.db2.gz WQSLJWMMZYKEHL-UHFFFAOYSA-N 1 1 408.546 4.433 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469281105 883379376 /nfs/dbraw/zinc/37/93/76/883379376.db2.gz NPAKUQNMYUKWJR-NRFANRHFSA-N 1 1 414.509 4.197 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000469586831 883825388 /nfs/dbraw/zinc/82/53/88/883825388.db2.gz KVVBERZLQWJCAN-PZJWPPBQSA-N 1 1 400.526 4.338 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000469755066 883917572 /nfs/dbraw/zinc/91/75/72/883917572.db2.gz FSNHNBSGZLIPDL-NEPJUHHUSA-N 1 1 420.307 4.217 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000471022489 885529154 /nfs/dbraw/zinc/52/91/54/885529154.db2.gz ODGJXGNKRISJAE-XXBNENTESA-N 1 1 404.514 4.066 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000471022489 885529175 /nfs/dbraw/zinc/52/91/75/885529175.db2.gz ODGJXGNKRISJAE-XXBNENTESA-N 1 1 404.514 4.066 20 30 HIEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C2(CCCCC2)C1 ZINC000471040914 885551421 /nfs/dbraw/zinc/55/14/21/885551421.db2.gz XJLVBAVTJHHKTG-UHFFFAOYSA-N 1 1 414.619 4.168 20 30 HIEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816358 /nfs/dbraw/zinc/81/63/58/885816358.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 1 1 407.558 4.308 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816365 /nfs/dbraw/zinc/81/63/65/885816365.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816373 /nfs/dbraw/zinc/81/63/73/885816373.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816377 /nfs/dbraw/zinc/81/63/77/885816377.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 1 1 407.558 4.308 20 30 HIEDMO COc1ccc2c(c1)nc(C[NH2+]Cc1cccc(OCc3ccccc3C#N)c1)n2C ZINC000472136807 886930172 /nfs/dbraw/zinc/93/01/72/886930172.db2.gz QDSGRYZFAFLOCB-UHFFFAOYSA-N 1 1 412.493 4.322 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C)c1C#N ZINC000472259846 887072438 /nfs/dbraw/zinc/07/24/38/887072438.db2.gz PLDCPEHGXDJYEJ-UHFFFAOYSA-N 1 1 409.534 4.208 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](Cc2ccco2)C(C)C)c1C#N ZINC000472443027 887293272 /nfs/dbraw/zinc/29/32/72/887293272.db2.gz QLYHJBBINZRQHQ-UHFFFAOYSA-N 1 1 408.502 4.450 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c2ccccc21 ZINC000472454562 887309274 /nfs/dbraw/zinc/30/92/74/887309274.db2.gz RNRHNPDBSWKYPC-OAQYLSRUSA-N 1 1 401.510 4.419 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c2ccccc21 ZINC000472454562 887309287 /nfs/dbraw/zinc/30/92/87/887309287.db2.gz RNRHNPDBSWKYPC-OAQYLSRUSA-N 1 1 401.510 4.419 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472455380 887309432 /nfs/dbraw/zinc/30/94/32/887309432.db2.gz QBVDKRQIDNMLQD-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472455380 887309450 /nfs/dbraw/zinc/30/94/50/887309450.db2.gz QBVDKRQIDNMLQD-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472455380 887309467 /nfs/dbraw/zinc/30/94/67/887309467.db2.gz QBVDKRQIDNMLQD-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000473357896 888080964 /nfs/dbraw/zinc/08/09/64/888080964.db2.gz PPBUKDXFPLSGLE-QFIPXVFZSA-N 1 1 418.566 4.135 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474183023 889022282 /nfs/dbraw/zinc/02/22/82/889022282.db2.gz GHZISCCKNDINLZ-NRFANRHFSA-N 1 1 400.448 4.465 20 30 HIEDMO N#C[C@]1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCc2ccccc2C1 ZINC000474651371 889515405 /nfs/dbraw/zinc/51/54/05/889515405.db2.gz MYTLXRCAKRDMGL-CPJSRVTESA-N 1 1 402.542 4.061 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1Cl ZINC000475091618 889939295 /nfs/dbraw/zinc/93/92/95/889939295.db2.gz JUUUDKCLNVAISC-IRXDYDNUSA-N 1 1 409.958 4.406 20 30 HIEDMO N#CC[C@H](CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000475184730 890054094 /nfs/dbraw/zinc/05/40/94/890054094.db2.gz UMWAURHOBGMEJU-OAQYLSRUSA-N 1 1 424.976 4.056 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475736478 890676965 /nfs/dbraw/zinc/67/69/65/890676965.db2.gz ZNHZLLZAGYWFFF-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475736478 890676970 /nfs/dbraw/zinc/67/69/70/890676970.db2.gz ZNHZLLZAGYWFFF-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475742755 890686254 /nfs/dbraw/zinc/68/62/54/890686254.db2.gz SRTSZZOKNYIWDL-SFHVURJKSA-N 1 1 411.571 4.017 20 30 HIEDMO N#CC[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065211 890995336 /nfs/dbraw/zinc/99/53/36/890995336.db2.gz VQMQDNNPEYMEEL-CTNGQTDRSA-N 1 1 415.459 4.483 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000476230697 891154352 /nfs/dbraw/zinc/15/43/52/891154352.db2.gz KBYOJSROPNBOPG-JOCHJYFZSA-N 1 1 405.542 4.266 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)c1 ZINC000476675096 891626691 /nfs/dbraw/zinc/62/66/91/891626691.db2.gz JSIGIGTWSCGBSZ-UHFFFAOYSA-N 1 1 404.445 4.203 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044644 891970127 /nfs/dbraw/zinc/97/01/27/891970127.db2.gz CNOYZTRHBKLOPN-CLOONOSVSA-N 1 1 420.557 4.083 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c(C#N)c1C ZINC000478947310 894230204 /nfs/dbraw/zinc/23/02/04/894230204.db2.gz AHSDMIJIJFMIPA-UHFFFAOYSA-N 1 1 422.529 4.454 20 30 HIEDMO Cc1sc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c(C#N)c1C ZINC000478947310 894230224 /nfs/dbraw/zinc/23/02/24/894230224.db2.gz AHSDMIJIJFMIPA-UHFFFAOYSA-N 1 1 422.529 4.454 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2N2CCC[C@@H](c3[nH+]ccn3C)C2)c1Br ZINC000479300719 894585062 /nfs/dbraw/zinc/58/50/62/894585062.db2.gz NVQLXJHHTWFFPF-CQSZACIVSA-N 1 1 410.319 4.295 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000505209537 913885453 /nfs/dbraw/zinc/88/54/53/913885453.db2.gz JISWSSYKGPNBPW-IBGZPJMESA-N 1 1 423.561 4.325 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)[NH+](C)C ZINC000480393133 895799355 /nfs/dbraw/zinc/79/93/55/895799355.db2.gz HXLIPMXREGQFIW-QFIPXVFZSA-N 1 1 408.546 4.037 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000480439901 895830596 /nfs/dbraw/zinc/83/05/96/895830596.db2.gz DKUYCWQZIHCCDG-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000480439901 895830602 /nfs/dbraw/zinc/83/06/02/895830602.db2.gz DKUYCWQZIHCCDG-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000481062421 896384133 /nfs/dbraw/zinc/38/41/33/896384133.db2.gz TXGFMGJOIFQHMA-UHFFFAOYSA-N 1 1 423.314 4.043 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169829 896505548 /nfs/dbraw/zinc/50/55/48/896505548.db2.gz GHUMOXXCFPELLU-RCZVLFRGSA-N 1 1 418.585 4.050 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183392 896527534 /nfs/dbraw/zinc/52/75/34/896527534.db2.gz RUFXQZWZXVREOV-JTAQYXEDSA-N 1 1 411.615 4.151 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183392 896527545 /nfs/dbraw/zinc/52/75/45/896527545.db2.gz RUFXQZWZXVREOV-JTAQYXEDSA-N 1 1 411.615 4.151 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)cc1 ZINC000481350273 896723066 /nfs/dbraw/zinc/72/30/66/896723066.db2.gz SXHXBPUCWNLVOA-UHFFFAOYSA-N 1 1 405.517 4.145 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)cc1 ZINC000481350273 896723081 /nfs/dbraw/zinc/72/30/81/896723081.db2.gz SXHXBPUCWNLVOA-UHFFFAOYSA-N 1 1 405.517 4.145 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481618314 897000965 /nfs/dbraw/zinc/00/09/65/897000965.db2.gz DTSCHSCBJGGNRL-QRQCRPRQSA-N 1 1 418.484 4.236 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481847471 897214267 /nfs/dbraw/zinc/21/42/67/897214267.db2.gz ZICWPRXFUGNVDU-UHFFFAOYSA-N 1 1 419.916 4.215 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481904083 897284120 /nfs/dbraw/zinc/28/41/20/897284120.db2.gz KAZYVFNFZQFPAZ-DNQXCXABSA-N 1 1 419.594 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C3CCCCC3)C(F)(F)F)CC2)cc1 ZINC000482282668 897776758 /nfs/dbraw/zinc/77/67/58/897776758.db2.gz NHFDSMQHQZLEGP-HXUWFJFHSA-N 1 1 422.495 4.287 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483399446 899031962 /nfs/dbraw/zinc/03/19/62/899031962.db2.gz CCBYXYQEYNJEEA-INIZCTEOSA-N 1 1 403.448 4.146 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(n3ccnc3)CC2)cc1OC ZINC000512384515 921120587 /nfs/dbraw/zinc/12/05/87/921120587.db2.gz RDPUCURUBMYREY-UHFFFAOYSA-N 1 1 406.324 4.056 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1C#N ZINC000485210372 900499573 /nfs/dbraw/zinc/49/95/73/900499573.db2.gz QZPMIJCSHXTFMB-INIZCTEOSA-N 1 1 408.546 4.299 20 30 HIEDMO COc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OCCCC#N ZINC000505847533 914496445 /nfs/dbraw/zinc/49/64/45/914496445.db2.gz AYQYMOQDKQSEBO-JXMROGBWSA-N 1 1 405.542 4.209 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505849663 914497996 /nfs/dbraw/zinc/49/79/96/914497996.db2.gz BGTVNUFTYDAJHO-OTDUKCBNSA-N 1 1 420.557 4.129 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505849663 914498000 /nfs/dbraw/zinc/49/80/00/914498000.db2.gz BGTVNUFTYDAJHO-OTDUKCBNSA-N 1 1 420.557 4.129 20 30 HIEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000485825680 901073072 /nfs/dbraw/zinc/07/30/72/901073072.db2.gz VEXMWLNQEYFWPC-SFHVURJKSA-N 1 1 411.571 4.221 20 30 HIEDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032184 901235925 /nfs/dbraw/zinc/23/59/25/901235925.db2.gz XDDRMOCYXAEUFF-KRWDZBQOSA-N 1 1 409.603 4.290 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966065 901992152 /nfs/dbraw/zinc/99/21/52/901992152.db2.gz JQXAJGCCGLOEKO-HRAATJIYSA-N 1 1 401.470 4.337 20 30 HIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401080 902184603 /nfs/dbraw/zinc/18/46/03/902184603.db2.gz VEFKCKYAJQBZQL-GOSISDBHSA-N 1 1 406.448 4.378 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000488388504 902798389 /nfs/dbraw/zinc/79/83/89/902798389.db2.gz WKXHLDNZQWLQIF-OAQYLSRUSA-N 1 1 414.594 4.386 20 30 HIEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475100 902844492 /nfs/dbraw/zinc/84/44/92/902844492.db2.gz ZIKIISKNFRBNLJ-RTBURBONSA-N 1 1 400.309 4.243 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000488556375 902882273 /nfs/dbraw/zinc/88/22/73/902882273.db2.gz IEAWEFWBMYMFAE-FCHUYYIVSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000488556375 902882275 /nfs/dbraw/zinc/88/22/75/902882275.db2.gz IEAWEFWBMYMFAE-FCHUYYIVSA-N 1 1 412.484 4.202 20 30 HIEDMO CC[N@H+](Cc1cccc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000488791672 903002419 /nfs/dbraw/zinc/00/24/19/903002419.db2.gz DCESEKGUVYYORB-INIZCTEOSA-N 1 1 404.333 4.010 20 30 HIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000488791672 903002431 /nfs/dbraw/zinc/00/24/31/903002431.db2.gz DCESEKGUVYYORB-INIZCTEOSA-N 1 1 404.333 4.010 20 30 HIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408294 903371310 /nfs/dbraw/zinc/37/13/10/903371310.db2.gz VXBLVYVGCFPGNE-WMZHIEFXSA-N 1 1 405.542 4.499 20 30 HIEDMO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000489590080 903481574 /nfs/dbraw/zinc/48/15/74/903481574.db2.gz YTLBAGBDAGCPKY-KRWDZBQOSA-N 1 1 409.555 4.129 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000489590080 903481586 /nfs/dbraw/zinc/48/15/86/903481586.db2.gz YTLBAGBDAGCPKY-KRWDZBQOSA-N 1 1 409.555 4.129 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489740696 903569391 /nfs/dbraw/zinc/56/93/91/903569391.db2.gz LNOHZMBKNLBMDE-VWLOTQADSA-N 1 1 418.585 4.290 20 30 HIEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908270 903666819 /nfs/dbraw/zinc/66/68/19/903666819.db2.gz FLVNCAVNUOCBFF-XLNZFTOWSA-N 1 1 402.542 4.097 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000490018668 903726589 /nfs/dbraw/zinc/72/65/89/903726589.db2.gz GVVUCMZZIZAUSU-QGZVFWFLSA-N 1 1 405.527 4.323 20 30 HIEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490088066 903765065 /nfs/dbraw/zinc/76/50/65/903765065.db2.gz KWTXWZZBRKMAGW-FQEVSTJZSA-N 1 1 407.905 4.264 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289110 903877504 /nfs/dbraw/zinc/87/75/04/903877504.db2.gz PKDKFWRFHBIVIP-RBBKRZOGSA-N 1 1 415.509 4.269 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289110 903877506 /nfs/dbraw/zinc/87/75/06/903877506.db2.gz PKDKFWRFHBIVIP-RBBKRZOGSA-N 1 1 415.509 4.269 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490354393 903947415 /nfs/dbraw/zinc/94/74/15/903947415.db2.gz LMXQBBWUCSZGIR-FQEVSTJZSA-N 1 1 402.473 4.193 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)NCC[NH+]3CCSCC3)cc2Cl)cc1 ZINC000490622652 904142665 /nfs/dbraw/zinc/14/26/65/904142665.db2.gz PRIUISQWPKPZBO-UHFFFAOYSA-N 1 1 416.934 4.174 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCCC2 ZINC000490829559 904273930 /nfs/dbraw/zinc/27/39/30/904273930.db2.gz VASGKYXTSUDNNE-UHFFFAOYSA-N 1 1 424.526 4.400 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)c4cccnc34)CC2)cc1 ZINC000491079160 904416288 /nfs/dbraw/zinc/41/62/88/904416288.db2.gz RNWJPVJQKQJGQS-UHFFFAOYSA-N 1 1 421.342 4.187 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491892759 904722363 /nfs/dbraw/zinc/72/23/63/904722363.db2.gz SCFFFXUVRDOAQD-OAQYLSRUSA-N 1 1 400.482 4.067 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)cc1 ZINC000492056787 904779520 /nfs/dbraw/zinc/77/95/20/904779520.db2.gz XWUUPADVKONGAB-UHFFFAOYSA-N 1 1 408.452 4.199 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000492511018 904860662 /nfs/dbraw/zinc/86/06/62/904860662.db2.gz IONJNLYBLBFTBW-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(C#N)ccc3Br)ccc2NC1=O ZINC000492609710 904876780 /nfs/dbraw/zinc/87/67/80/904876780.db2.gz VLVXBLMEURMIRR-KZULUSFZSA-N 1 1 414.303 4.281 20 30 HIEDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C#N)ccc3Br)ccc2NC1=O ZINC000492609711 904877106 /nfs/dbraw/zinc/87/71/06/904877106.db2.gz VLVXBLMEURMIRR-SGTLLEGYSA-N 1 1 414.303 4.281 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731570 904896212 /nfs/dbraw/zinc/89/62/12/904896212.db2.gz WVENMIZLMDYGHE-UTKZUKDTSA-N 1 1 418.472 4.214 20 30 HIEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)CC1CCN(c2ccccn2)CC1 ZINC000492777708 904902328 /nfs/dbraw/zinc/90/23/28/904902328.db2.gz YWXWDQARVIQWSA-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c2ccccc21 ZINC000492890923 904940272 /nfs/dbraw/zinc/94/02/72/904940272.db2.gz JGQJVXRTBQMUBT-UHFFFAOYSA-N 1 1 419.550 4.363 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000506267352 914873137 /nfs/dbraw/zinc/87/31/37/914873137.db2.gz ILNRXLJJLRDCNH-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000506267352 914873140 /nfs/dbraw/zinc/87/31/40/914873140.db2.gz ILNRXLJJLRDCNH-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000506267352 914873142 /nfs/dbraw/zinc/87/31/42/914873142.db2.gz ILNRXLJJLRDCNH-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO C=CCOc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1OC ZINC000512420799 921148528 /nfs/dbraw/zinc/14/85/28/921148528.db2.gz NCEADIPAHVUSKY-UHFFFAOYSA-N 1 1 414.509 4.002 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1OC ZINC000512469921 921182714 /nfs/dbraw/zinc/18/27/14/921182714.db2.gz USMYZPHMCJGRKO-FQEVSTJZSA-N 1 1 413.493 4.185 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1OC ZINC000512469921 921182718 /nfs/dbraw/zinc/18/27/18/921182718.db2.gz USMYZPHMCJGRKO-FQEVSTJZSA-N 1 1 413.493 4.185 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CO[C@H](C)Cc3[nH]cc[nH+]3)sc2C1 ZINC000495250439 906338224 /nfs/dbraw/zinc/33/82/24/906338224.db2.gz BBSAZAFYYNHVET-HUUCEWRRSA-N 1 1 414.575 4.470 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000496625729 906723178 /nfs/dbraw/zinc/72/31/78/906723178.db2.gz AMOULNCTGKWBQU-FRIKZZABSA-N 1 1 423.557 4.055 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000512769467 921304573 /nfs/dbraw/zinc/30/45/73/921304573.db2.gz VBFMCXBKUQKLMC-GOSISDBHSA-N 1 1 404.514 4.218 20 30 HIEDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1Cl ZINC000512798352 921313196 /nfs/dbraw/zinc/31/31/96/921313196.db2.gz VQPHZWJFOANNCR-OAHLLOKOSA-N 1 1 415.896 4.071 20 30 HIEDMO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C2CC2)cc1 ZINC000512806209 921315178 /nfs/dbraw/zinc/31/51/78/921315178.db2.gz SAOVGUSFCVGKPF-RUZDIDTESA-N 1 1 421.516 4.117 20 30 HIEDMO CCOC1CC2(C1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512805572 921315199 /nfs/dbraw/zinc/31/51/99/921315199.db2.gz IVTOQDCYANLVTC-UHFFFAOYSA-N 1 1 401.576 4.108 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498547712 908010100 /nfs/dbraw/zinc/01/01/00/908010100.db2.gz HLIFYTLNNFTERL-ZEQRLZLVSA-N 1 1 405.542 4.371 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498677423 908106763 /nfs/dbraw/zinc/10/67/63/908106763.db2.gz VHMUDAGCIGRGOV-YADHBBJMSA-N 1 1 424.495 4.349 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498677423 908106771 /nfs/dbraw/zinc/10/67/71/908106771.db2.gz VHMUDAGCIGRGOV-YADHBBJMSA-N 1 1 424.495 4.349 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498708459 908135070 /nfs/dbraw/zinc/13/50/70/908135070.db2.gz UYRFIUDNBMGVBE-GBXCKJPGSA-N 1 1 404.558 4.389 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498715745 908142175 /nfs/dbraw/zinc/14/21/75/908142175.db2.gz OJEUCRFJMQBDCS-UGKGYDQZSA-N 1 1 422.529 4.203 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCc3ccccc3C2)c1C#N ZINC000498938018 908345958 /nfs/dbraw/zinc/34/59/58/908345958.db2.gz RPGFLMVNJHUXAI-UHFFFAOYSA-N 1 1 402.498 4.005 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCc3ccccc3C2)c1C#N ZINC000498938018 908345973 /nfs/dbraw/zinc/34/59/73/908345973.db2.gz RPGFLMVNJHUXAI-UHFFFAOYSA-N 1 1 402.498 4.005 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000499161927 908516072 /nfs/dbraw/zinc/51/60/72/908516072.db2.gz OTQGDCICQNIBOL-JLLPCOHGSA-N 1 1 418.560 4.451 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1)C1CC1 ZINC000499409518 908774229 /nfs/dbraw/zinc/77/42/29/908774229.db2.gz VYJGHHJOZKHULN-FQEVSTJZSA-N 1 1 412.331 4.428 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769027 908909786 /nfs/dbraw/zinc/90/97/86/908909786.db2.gz ZHDQLXBWQYLCCQ-YCZSINBZSA-N 1 1 403.526 4.113 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769027 908909811 /nfs/dbraw/zinc/90/98/11/908909811.db2.gz ZHDQLXBWQYLCCQ-YCZSINBZSA-N 1 1 403.526 4.113 20 30 HIEDMO CCC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000499895436 909018438 /nfs/dbraw/zinc/01/84/38/909018438.db2.gz OOSLURBPDGFRDI-QZTJIDSGSA-N 1 1 404.580 4.045 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037615 921496467 /nfs/dbraw/zinc/49/64/67/921496467.db2.gz UIHWJGUCAQYNJZ-OAQYLSRUSA-N 1 1 408.542 4.292 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500236415 909725430 /nfs/dbraw/zinc/72/54/30/909725430.db2.gz NHGZLONOXICMNJ-VWLOTQADSA-N 1 1 422.573 4.005 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500236415 909725441 /nfs/dbraw/zinc/72/54/41/909725441.db2.gz NHGZLONOXICMNJ-VWLOTQADSA-N 1 1 422.573 4.005 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000500909050 910178343 /nfs/dbraw/zinc/17/83/43/910178343.db2.gz PBFYQEWZUGJNCJ-UHFFFAOYSA-N 1 1 423.582 4.140 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000501092948 910291786 /nfs/dbraw/zinc/29/17/86/910291786.db2.gz AHDQDSBOWVVFAN-QHCPKHFHSA-N 1 1 406.530 4.250 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000501426607 910558227 /nfs/dbraw/zinc/55/82/27/910558227.db2.gz NNQOISPYLOIUNU-INIZCTEOSA-N 1 1 411.246 4.088 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000501426607 910558245 /nfs/dbraw/zinc/55/82/45/910558245.db2.gz NNQOISPYLOIUNU-INIZCTEOSA-N 1 1 411.246 4.088 20 30 HIEDMO CC[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000502315470 911285618 /nfs/dbraw/zinc/28/56/18/911285618.db2.gz AFBAKVGDSWCRDO-QFIPXVFZSA-N 1 1 405.542 4.185 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318560 911291264 /nfs/dbraw/zinc/29/12/64/911291264.db2.gz DUGMRFZQYDCSBF-NTKDMRAZSA-N 1 1 400.526 4.192 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000513265724 921668103 /nfs/dbraw/zinc/66/81/03/921668103.db2.gz DYICYNNSNBINGE-OAQYLSRUSA-N 1 1 415.493 4.125 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000502530424 911534821 /nfs/dbraw/zinc/53/48/21/911534821.db2.gz RMILGPKCBANTFW-UHFFFAOYSA-N 1 1 400.438 4.453 20 30 HIEDMO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000502631075 911660041 /nfs/dbraw/zinc/66/00/41/911660041.db2.gz AGQBGZIXILPQFA-WMLDXEAASA-N 1 1 401.532 4.176 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502876701 911878545 /nfs/dbraw/zinc/87/85/45/911878545.db2.gz JHSVRLHTDUVQGX-HNNXBMFYSA-N 1 1 412.559 4.304 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919665 911906061 /nfs/dbraw/zinc/90/60/61/911906061.db2.gz PFDZLYIPSQYJLT-INIZCTEOSA-N 1 1 412.921 4.279 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000503182502 912158253 /nfs/dbraw/zinc/15/82/53/912158253.db2.gz ICTDYLPYYOZHLI-UHFFFAOYSA-N 1 1 404.514 4.087 20 30 HIEDMO Cn1nccc1-c1ccccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000513347053 921729008 /nfs/dbraw/zinc/72/90/08/921729008.db2.gz CFTAHMTYYDYRCQ-QHCPKHFHSA-N 1 1 405.933 4.123 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000506295204 914890797 /nfs/dbraw/zinc/89/07/97/914890797.db2.gz OQQKFCSYKYZSEW-UHFFFAOYSA-N 1 1 405.933 4.105 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000506295204 914890801 /nfs/dbraw/zinc/89/08/01/914890801.db2.gz OQQKFCSYKYZSEW-UHFFFAOYSA-N 1 1 405.933 4.105 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000506295204 914890803 /nfs/dbraw/zinc/89/08/03/914890803.db2.gz OQQKFCSYKYZSEW-UHFFFAOYSA-N 1 1 405.933 4.105 20 30 HIEDMO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000513370135 921743550 /nfs/dbraw/zinc/74/35/50/921743550.db2.gz GXMROSCBSXYUAQ-NRFANRHFSA-N 1 1 421.541 4.102 20 30 HIEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000513370135 921743565 /nfs/dbraw/zinc/74/35/65/921743565.db2.gz GXMROSCBSXYUAQ-NRFANRHFSA-N 1 1 421.541 4.102 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093305 /nfs/dbraw/zinc/09/33/05/915093305.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 1 1 414.619 4.023 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)C2CCN(CC)CC2)cc1OCC ZINC000506688158 915366979 /nfs/dbraw/zinc/36/69/79/915366979.db2.gz FOSICBGUSWNZHP-UHFFFAOYSA-N 1 1 411.384 4.329 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C2CCN(CC)CC2)cc1OCC ZINC000506688158 915366998 /nfs/dbraw/zinc/36/69/98/915366998.db2.gz FOSICBGUSWNZHP-UHFFFAOYSA-N 1 1 411.384 4.329 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939638 915743857 /nfs/dbraw/zinc/74/38/57/915743857.db2.gz JOAVPJCOBRTKDH-PMACEKPBSA-N 1 1 414.619 4.087 20 30 HIEDMO C[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[N@H+]1CCc2sccc2C1 ZINC000507096861 915867320 /nfs/dbraw/zinc/86/73/20/915867320.db2.gz BBIPSECWIWUTHB-CYBMUJFWSA-N 1 1 414.481 4.050 20 30 HIEDMO COc1ccccc1C[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218740 915969324 /nfs/dbraw/zinc/96/93/24/915969324.db2.gz LXGAGQPJXDIPDR-NLFFAJNJSA-N 1 1 407.558 4.183 20 30 HIEDMO COc1ccccc1C[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218738 915970623 /nfs/dbraw/zinc/97/06/23/915970623.db2.gz LXGAGQPJXDIPDR-CPJSRVTESA-N 1 1 407.558 4.183 20 30 HIEDMO C=C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241480 916002070 /nfs/dbraw/zinc/00/20/70/916002070.db2.gz YLQBFPPCFJFYQW-UKILVPOCSA-N 1 1 418.581 4.391 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507584630 916338755 /nfs/dbraw/zinc/33/87/55/916338755.db2.gz PGRMOAZGEUERGO-UHFFFAOYSA-N 1 1 407.905 4.105 20 30 HIEDMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CCC2 ZINC000507900267 916767075 /nfs/dbraw/zinc/76/70/75/916767075.db2.gz FZRDYNYOVVTYFK-DEOSSOPVSA-N 1 1 416.525 4.147 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000508252607 917072401 /nfs/dbraw/zinc/07/24/01/917072401.db2.gz QBFIFUHQXVVIFR-WOJBJXKFSA-N 1 1 406.486 4.107 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000508429445 917218028 /nfs/dbraw/zinc/21/80/28/917218028.db2.gz XNTJERALBBZMEF-NZQKXSOJSA-N 1 1 407.558 4.446 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508571238 917345657 /nfs/dbraw/zinc/34/56/57/917345657.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 1 1 411.384 4.186 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000508678622 917441740 /nfs/dbraw/zinc/44/17/40/917441740.db2.gz QDCKYGVGSAYAIX-YMTGICSTSA-N 1 1 424.589 4.071 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508793171 917549369 /nfs/dbraw/zinc/54/93/69/917549369.db2.gz HNMLZFDYIXBPJZ-MSOLQXFVSA-N 1 1 417.985 4.426 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508798445 917554393 /nfs/dbraw/zinc/55/43/93/917554393.db2.gz SSAUFOFHWNEBOO-VQTJNVASSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508828481 917582182 /nfs/dbraw/zinc/58/21/82/917582182.db2.gz UYGQUOUBXYDLKN-JTAQYXEDSA-N 1 1 421.589 4.231 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508844725 917595921 /nfs/dbraw/zinc/59/59/21/917595921.db2.gz KPYDQNDPBBYQGW-AVRDEDQJSA-N 1 1 416.573 4.076 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000508866978 917622036 /nfs/dbraw/zinc/62/20/36/917622036.db2.gz NNXUXPLBAQNQED-HXUWFJFHSA-N 1 1 418.589 4.484 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508883774 917638313 /nfs/dbraw/zinc/63/83/13/917638313.db2.gz CPIMUUHQEVPNSV-FCHUYYIVSA-N 1 1 423.605 4.176 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508951618 917708563 /nfs/dbraw/zinc/70/85/63/917708563.db2.gz NCCZTPYVVJXBCQ-QGZVFWFLSA-N 1 1 408.937 4.063 20 30 HIEDMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000508981186 917735447 /nfs/dbraw/zinc/73/54/47/917735447.db2.gz XXTHUNZWKLJXKD-QGZVFWFLSA-N 1 1 404.352 4.187 20 30 HIEDMO C=CCSCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181350 917892052 /nfs/dbraw/zinc/89/20/52/917892052.db2.gz VZNRUVUJJZGEHX-WMZOPIPTSA-N 1 1 415.525 4.307 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000509186723 917894863 /nfs/dbraw/zinc/89/48/63/917894863.db2.gz SMZMVKSKXQZHHS-UHFFFAOYSA-N 1 1 407.533 4.142 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C1CC1 ZINC000509943162 918539460 /nfs/dbraw/zinc/53/94/60/918539460.db2.gz LHKCPKCACJLSHX-UHFFFAOYSA-N 1 1 418.541 4.058 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510415511 918883890 /nfs/dbraw/zinc/88/38/90/918883890.db2.gz MGKFURXYGITVCH-IEBWSBKVSA-N 1 1 419.554 4.174 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510415511 918883894 /nfs/dbraw/zinc/88/38/94/918883894.db2.gz MGKFURXYGITVCH-IEBWSBKVSA-N 1 1 419.554 4.174 20 30 HIEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000510599022 919040986 /nfs/dbraw/zinc/04/09/86/919040986.db2.gz OYXQPNZKXLECPI-RTBURBONSA-N 1 1 409.530 4.182 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)sc2c1CCCC2 ZINC000510706073 919146144 /nfs/dbraw/zinc/14/61/44/919146144.db2.gz RRYSNVJWKHPUJG-DEOSSOPVSA-N 1 1 421.566 4.001 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)sc2c1CCCC2 ZINC000510706073 919146152 /nfs/dbraw/zinc/14/61/52/919146152.db2.gz RRYSNVJWKHPUJG-DEOSSOPVSA-N 1 1 421.566 4.001 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511102949 919708098 /nfs/dbraw/zinc/70/80/98/919708098.db2.gz AQMVSEJEILTQGR-IBGZPJMESA-N 1 1 408.502 4.021 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511102949 919708108 /nfs/dbraw/zinc/70/81/08/919708108.db2.gz AQMVSEJEILTQGR-IBGZPJMESA-N 1 1 408.502 4.021 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127678 919740807 /nfs/dbraw/zinc/74/08/07/919740807.db2.gz VFJCCNGMITUCKO-CYBMUJFWSA-N 1 1 409.408 4.168 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127678 919740821 /nfs/dbraw/zinc/74/08/21/919740821.db2.gz VFJCCNGMITUCKO-CYBMUJFWSA-N 1 1 409.408 4.168 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511271843 919869681 /nfs/dbraw/zinc/86/96/81/919869681.db2.gz XGSPPENFJIBRJQ-GJZGRUSLSA-N 1 1 424.467 4.274 20 30 HIEDMO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511282643 919877120 /nfs/dbraw/zinc/87/71/20/919877120.db2.gz AVHIYSHMFNEWSN-HKUYNNGSSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511423486 920038158 /nfs/dbraw/zinc/03/81/58/920038158.db2.gz NHNPLRSASPWGHV-BFHNTPHQSA-N 1 1 424.589 4.200 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658314 920322897 /nfs/dbraw/zinc/32/28/97/920322897.db2.gz XGOSGHZXSTVFJS-RXVVDRJESA-N 1 1 402.460 4.379 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511680679 920345076 /nfs/dbraw/zinc/34/50/76/920345076.db2.gz JIKQOBNZWRKUCA-KCZVDYSFSA-N 1 1 408.567 4.408 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2ccccc21 ZINC000511782159 920473428 /nfs/dbraw/zinc/47/34/28/920473428.db2.gz XEWBHLKLDQMIJI-GZGNHOFSSA-N 1 1 413.521 4.242 20 30 HIEDMO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511931742 920680070 /nfs/dbraw/zinc/68/00/70/920680070.db2.gz KBYNBOHCLOXFBT-APWZRJJASA-N 1 1 423.586 4.380 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512348744 921093536 /nfs/dbraw/zinc/09/35/36/921093536.db2.gz WWBXPMWFQUYXTQ-AVRDEDQJSA-N 1 1 423.582 4.391 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000513489747 921842414 /nfs/dbraw/zinc/84/24/14/921842414.db2.gz JSTYBCPNZIYBTJ-KRWDZBQOSA-N 1 1 409.368 4.081 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666871 921989525 /nfs/dbraw/zinc/98/95/25/921989525.db2.gz PUDISPTUFCWTBG-NIYFSFCBSA-N 1 1 411.505 4.472 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513666871 921989530 /nfs/dbraw/zinc/98/95/30/921989530.db2.gz PUDISPTUFCWTBG-NIYFSFCBSA-N 1 1 411.505 4.472 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513668520 921991706 /nfs/dbraw/zinc/99/17/06/921991706.db2.gz ZTODBMSUAPOBCG-NHCUHLMSSA-N 1 1 402.586 4.273 20 30 HIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513751142 922070541 /nfs/dbraw/zinc/07/05/41/922070541.db2.gz XRGIVKIXMUARIM-UHFFFAOYSA-N 1 1 415.541 4.188 20 30 HIEDMO N#C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513979198 922299828 /nfs/dbraw/zinc/29/98/28/922299828.db2.gz ZHOCQYSOBDJSAZ-HFZDXXHNSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513979198 922299841 /nfs/dbraw/zinc/29/98/41/922299841.db2.gz ZHOCQYSOBDJSAZ-HFZDXXHNSA-N 1 1 409.489 4.111 20 30 HIEDMO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000514831409 922818438 /nfs/dbraw/zinc/81/84/38/922818438.db2.gz NAFDWVYOAGALLL-XMSQKQJNSA-N 1 1 400.530 4.016 20 30 HIEDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000514916301 922843792 /nfs/dbraw/zinc/84/37/92/922843792.db2.gz FJBWMCRKFFBPGP-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000515502209 923137375 /nfs/dbraw/zinc/13/73/75/923137375.db2.gz YDGRKAGQIDCVEM-JOCHJYFZSA-N 1 1 422.573 4.049 20 30 HIEDMO N#Cc1cnc2c(F)ccc(Cl)c2c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000515541347 923164820 /nfs/dbraw/zinc/16/48/20/923164820.db2.gz RHJLJVGEOHXCDK-UHFFFAOYSA-N 1 1 405.864 4.220 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000518292892 927150175 /nfs/dbraw/zinc/15/01/75/927150175.db2.gz KPLLJSKZSKZAGX-AWEZNQCLSA-N 1 1 423.330 4.127 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)CC2)cs1 ZINC000518321988 927186815 /nfs/dbraw/zinc/18/68/15/927186815.db2.gz CUYNIQPHSBCZOO-KRWDZBQOSA-N 1 1 423.369 4.351 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521801450 929463511 /nfs/dbraw/zinc/46/35/11/929463511.db2.gz WZYJVOLPKCAMHZ-YADHBBJMSA-N 1 1 419.525 4.432 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521801450 929463546 /nfs/dbraw/zinc/46/35/46/929463546.db2.gz WZYJVOLPKCAMHZ-YADHBBJMSA-N 1 1 419.525 4.432 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCc2ccccc21 ZINC000521819988 929478276 /nfs/dbraw/zinc/47/82/76/929478276.db2.gz PXLGHVPVNPLMDL-QHCPKHFHSA-N 1 1 422.573 4.351 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000521851852 929501571 /nfs/dbraw/zinc/50/15/71/929501571.db2.gz OFEZYORAIMEQJD-RTWAWAEBSA-N 1 1 402.542 4.474 20 30 HIEDMO C[N@@H+](CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCC1 ZINC000524558192 929686908 /nfs/dbraw/zinc/68/69/08/929686908.db2.gz IHXUTSAMIPHMCR-UHFFFAOYSA-N 1 1 406.530 4.328 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+](C)C ZINC000524565480 929692018 /nfs/dbraw/zinc/69/20/18/929692018.db2.gz VOYVFPKGDYZFAH-APWZRJJASA-N 1 1 412.559 4.371 20 30 HIEDMO N#Cc1cccc(OC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)c1 ZINC000524665656 929780372 /nfs/dbraw/zinc/78/03/72/929780372.db2.gz WQRASZSVCUKDHH-XMMPIXPASA-N 1 1 403.526 4.155 20 30 HIEDMO N#Cc1cccc(OC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)c1 ZINC000524665655 929780619 /nfs/dbraw/zinc/78/06/19/929780619.db2.gz WQRASZSVCUKDHH-DEOSSOPVSA-N 1 1 403.526 4.155 20 30 HIEDMO CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000525275880 930126416 /nfs/dbraw/zinc/12/64/16/930126416.db2.gz RAAPGGYXRYFEQK-HSZRJFAPSA-N 1 1 421.541 4.151 20 30 HIEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525409574 930224088 /nfs/dbraw/zinc/22/40/88/930224088.db2.gz DOJMYTDVCYVSJH-CEWLAPEOSA-N 1 1 403.954 4.112 20 30 HIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000526973625 930560436 /nfs/dbraw/zinc/56/04/36/930560436.db2.gz ZSXFXRHMJONURN-IBGZPJMESA-N 1 1 412.578 4.012 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515692 930734324 /nfs/dbraw/zinc/73/43/24/930734324.db2.gz KFBHIPIITCUYOM-PKOBYXMFSA-N 1 1 418.419 4.066 20 30 HIEDMO Cc1ccc(NCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)[nH+]c1 ZINC000531011353 930884277 /nfs/dbraw/zinc/88/42/77/930884277.db2.gz LFZHCZLJVABVMD-UHFFFAOYSA-N 1 1 400.482 4.073 20 30 HIEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCn3cc[nH+]c3C(C)C)c2)c1 ZINC000531043805 930896065 /nfs/dbraw/zinc/89/60/65/930896065.db2.gz KBAVKOBXZRGGSE-UHFFFAOYSA-N 1 1 415.493 4.222 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000531673683 931145958 /nfs/dbraw/zinc/14/59/58/931145958.db2.gz RKVJLZJKTXEQSJ-YADHBBJMSA-N 1 1 420.513 4.115 20 30 HIEDMO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000531842049 931216934 /nfs/dbraw/zinc/21/69/34/931216934.db2.gz JEMOBYXJCONZPQ-VWLOTQADSA-N 1 1 417.484 4.460 20 30 HIEDMO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)c2)cc1 ZINC000532181716 931338325 /nfs/dbraw/zinc/33/83/25/931338325.db2.gz TXOFQZOQTWZNEM-XZOQPEGZSA-N 1 1 420.513 4.115 20 30 HIEDMO N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000532429915 931431286 /nfs/dbraw/zinc/43/12/86/931431286.db2.gz KZSBFEYLZSVXPF-YADHBBJMSA-N 1 1 421.566 4.083 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560898 931524274 /nfs/dbraw/zinc/52/42/74/931524274.db2.gz ZPWWMBKERWJEBC-OALUTQOASA-N 1 1 416.525 4.082 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560898 931524279 /nfs/dbraw/zinc/52/42/79/931524279.db2.gz ZPWWMBKERWJEBC-OALUTQOASA-N 1 1 416.525 4.082 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1C#N ZINC000532583096 931541099 /nfs/dbraw/zinc/54/10/99/931541099.db2.gz OHLPYNCVPMGVIG-SFHVURJKSA-N 1 1 418.541 4.428 20 30 HIEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532965926 931717224 /nfs/dbraw/zinc/71/72/24/931717224.db2.gz SEYKZNUVASSGGZ-HNNXBMFYSA-N 1 1 419.441 4.121 20 30 HIEDMO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031979 931746899 /nfs/dbraw/zinc/74/68/99/931746899.db2.gz VFLDIJLHKNCUDY-UHFFFAOYSA-N 1 1 423.904 4.100 20 30 HIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031979 931746903 /nfs/dbraw/zinc/74/69/03/931746903.db2.gz VFLDIJLHKNCUDY-UHFFFAOYSA-N 1 1 423.904 4.100 20 30 HIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000533146133 931784228 /nfs/dbraw/zinc/78/42/28/931784228.db2.gz DDHNXRAEPYADOO-UHFFFAOYSA-N 1 1 414.509 4.386 20 30 HIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000533386278 931855052 /nfs/dbraw/zinc/85/50/52/931855052.db2.gz HXKUBNUYMSWELX-INIZCTEOSA-N 1 1 400.573 4.211 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000533411803 931861182 /nfs/dbraw/zinc/86/11/82/931861182.db2.gz CWKJFKQUCXUJKA-OAQYLSRUSA-N 1 1 410.587 4.325 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000533425529 931863981 /nfs/dbraw/zinc/86/39/81/931863981.db2.gz JMXXBEKRPUVBMI-KRWDZBQOSA-N 1 1 414.619 4.166 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480833 931879964 /nfs/dbraw/zinc/87/99/64/931879964.db2.gz DUYXVCLPZRVZKL-QGZVFWFLSA-N 1 1 417.488 4.126 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480833 931879967 /nfs/dbraw/zinc/87/99/67/931879967.db2.gz DUYXVCLPZRVZKL-QGZVFWFLSA-N 1 1 417.488 4.126 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000533866733 932070440 /nfs/dbraw/zinc/07/04/40/932070440.db2.gz JSEUOCPLVOFICF-SFHVURJKSA-N 1 1 406.555 4.418 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC13CCCCC3)CCCC2 ZINC000533992975 932171046 /nfs/dbraw/zinc/17/10/46/932171046.db2.gz OYBIXTHTSXALGB-IBGZPJMESA-N 1 1 424.589 4.155 20 30 HIEDMO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000534205438 932330518 /nfs/dbraw/zinc/33/05/18/932330518.db2.gz FVFAOXLJPUPZBU-XZOQPEGZSA-N 1 1 414.594 4.052 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534245227 932363017 /nfs/dbraw/zinc/36/30/17/932363017.db2.gz BUIBZOIGOMTEGT-UWJYYQICSA-N 1 1 411.908 4.192 20 30 HIEDMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534835100 932800885 /nfs/dbraw/zinc/80/08/85/932800885.db2.gz JKYWSPAPOFVFKA-LLVKDONJSA-N 1 1 419.316 4.451 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535680478 933332383 /nfs/dbraw/zinc/33/23/83/933332383.db2.gz KOIFEEMHUVBVGY-UHFFFAOYSA-N 1 1 419.594 4.306 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1C#N ZINC000535871183 933453865 /nfs/dbraw/zinc/45/38/65/933453865.db2.gz RFUHSSNNPTYPST-FQEVSTJZSA-N 1 1 412.578 4.169 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537288549 933699703 /nfs/dbraw/zinc/69/97/03/933699703.db2.gz GZWYCSAWDAVRQO-XDHUDOTRSA-N 1 1 420.534 4.411 20 30 HIEDMO C=CCc1cc(C[N@H+](CCC)C2CCN(c3cc(C)nc(C)n3)CC2)cc(OC)c1O ZINC000537624806 938337854 /nfs/dbraw/zinc/33/78/54/938337854.db2.gz QXLOJBXUAQHBEF-UHFFFAOYSA-N 1 1 424.589 4.417 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000537725687 938363740 /nfs/dbraw/zinc/36/37/40/938363740.db2.gz XSMBAALIDANMGI-CRAIPNDOSA-N 1 1 420.351 4.302 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000537725687 938363741 /nfs/dbraw/zinc/36/37/41/938363741.db2.gz XSMBAALIDANMGI-CRAIPNDOSA-N 1 1 420.351 4.302 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000537900742 938404944 /nfs/dbraw/zinc/40/49/44/938404944.db2.gz SAQRBVXSHAHCOM-GOSISDBHSA-N 1 1 405.502 4.035 20 30 HIEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000538140405 938517755 /nfs/dbraw/zinc/51/77/55/938517755.db2.gz KGJAVOQEKJBIRE-LLVKDONJSA-N 1 1 401.290 4.129 20 30 HIEDMO Cc1cc([C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)ccc1F ZINC000538717239 938689145 /nfs/dbraw/zinc/68/91/45/938689145.db2.gz MGJGRHBIZRUHKE-QHCPKHFHSA-N 1 1 404.489 4.485 20 30 HIEDMO Cc1cc([C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)ccc1F ZINC000538717239 938689150 /nfs/dbraw/zinc/68/91/50/938689150.db2.gz MGJGRHBIZRUHKE-QHCPKHFHSA-N 1 1 404.489 4.485 20 30 HIEDMO CN(c1ccccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727723 938693815 /nfs/dbraw/zinc/69/38/15/938693815.db2.gz REXDCPLHXFFPEB-AZGAKELHSA-N 1 1 402.586 4.489 20 30 HIEDMO C=CC[N@@H+](Cc1nc2ccccc2n1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732361 938695671 /nfs/dbraw/zinc/69/56/71/938695671.db2.gz GSADXQZXYMFTGK-SFHVURJKSA-N 1 1 401.518 4.171 20 30 HIEDMO C=CC[N@H+](Cc1nc2ccccc2n1CCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732361 938695672 /nfs/dbraw/zinc/69/56/72/938695672.db2.gz GSADXQZXYMFTGK-SFHVURJKSA-N 1 1 401.518 4.171 20 30 HIEDMO C=CC[N@@H+](Cc1nc2ccccc2n1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732360 938695807 /nfs/dbraw/zinc/69/58/07/938695807.db2.gz GSADXQZXYMFTGK-GOSISDBHSA-N 1 1 401.518 4.171 20 30 HIEDMO C=CC[N@H+](Cc1nc2ccccc2n1CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732360 938695812 /nfs/dbraw/zinc/69/58/12/938695812.db2.gz GSADXQZXYMFTGK-GOSISDBHSA-N 1 1 401.518 4.171 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)c1C#N ZINC000538953177 938747452 /nfs/dbraw/zinc/74/74/52/938747452.db2.gz BUAVKHCMLBZSQK-SFHVURJKSA-N 1 1 422.573 4.303 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@H+](CC)[C@@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000538967845 938754270 /nfs/dbraw/zinc/75/42/70/938754270.db2.gz FRPRSUOSOROSQF-AWEZNQCLSA-N 1 1 423.542 4.213 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@@H+](CC)[C@@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000538967845 938754271 /nfs/dbraw/zinc/75/42/71/938754271.db2.gz FRPRSUOSOROSQF-AWEZNQCLSA-N 1 1 423.542 4.213 20 30 HIEDMO C=CC[C@H](CO)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000539229694 938822394 /nfs/dbraw/zinc/82/23/94/938822394.db2.gz SZCYYCYBQYBFPQ-AWEZNQCLSA-N 1 1 413.465 4.121 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327739 938842628 /nfs/dbraw/zinc/84/26/28/938842628.db2.gz DYOUMMXRVPQBCE-AUUYWEPGSA-N 1 1 419.497 4.132 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000539829336 938950163 /nfs/dbraw/zinc/95/01/63/938950163.db2.gz RIOQUYSDXDPIOU-NRFANRHFSA-N 1 1 407.514 4.005 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC3(C2)CCOCC3)cc1OCC ZINC000539861982 938960402 /nfs/dbraw/zinc/96/04/02/938960402.db2.gz DJPPHTCLMFLFER-UHFFFAOYSA-N 1 1 410.352 4.415 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CC)c2cc(F)ccc2F)cc1 ZINC000540455294 939257505 /nfs/dbraw/zinc/25/75/05/939257505.db2.gz BLUNDVWEZLYXKI-OAQYLSRUSA-N 1 1 401.457 4.351 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000540579020 939310325 /nfs/dbraw/zinc/31/03/25/939310325.db2.gz QNZDKXLTPUUFCN-RXVVDRJESA-N 1 1 408.571 4.008 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000540579020 939310332 /nfs/dbraw/zinc/31/03/32/939310332.db2.gz QNZDKXLTPUUFCN-RXVVDRJESA-N 1 1 408.571 4.008 20 30 HIEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541106419 939462276 /nfs/dbraw/zinc/46/22/76/939462276.db2.gz FBBOITIQAPLJNR-ROUUACIJSA-N 1 1 401.514 4.427 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541107245 939462834 /nfs/dbraw/zinc/46/28/34/939462834.db2.gz NCVDTHDBDICGKB-RTBURBONSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541107245 939462840 /nfs/dbraw/zinc/46/28/40/939462840.db2.gz NCVDTHDBDICGKB-RTBURBONSA-N 1 1 406.933 4.338 20 30 HIEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000541141326 939474961 /nfs/dbraw/zinc/47/49/61/939474961.db2.gz XMDWVPRUSKEUSR-FQEVSTJZSA-N 1 1 405.889 4.000 20 30 HIEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000541141326 939474968 /nfs/dbraw/zinc/47/49/68/939474968.db2.gz XMDWVPRUSKEUSR-FQEVSTJZSA-N 1 1 405.889 4.000 20 30 HIEDMO COCCOc1ccc(C#N)cc1NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000541534498 939546456 /nfs/dbraw/zinc/54/64/56/939546456.db2.gz RFYNONVYCGIZPW-UHFFFAOYSA-N 1 1 417.912 4.452 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccco1 ZINC000541600759 939564531 /nfs/dbraw/zinc/56/45/31/939564531.db2.gz VBXXSBKKAIRJHY-HXUWFJFHSA-N 1 1 424.476 4.004 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541703701 939609662 /nfs/dbraw/zinc/60/96/62/939609662.db2.gz NSFLNGQIJLTDCY-AZUAARDMSA-N 1 1 401.869 4.141 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966316 939664804 /nfs/dbraw/zinc/66/48/04/939664804.db2.gz XEGFRZPDNOMGHQ-AZUAARDMSA-N 1 1 422.495 4.424 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000542325535 939800705 /nfs/dbraw/zinc/80/07/05/939800705.db2.gz DRHYOQUOZIDJPP-LJQANCHMSA-N 1 1 406.530 4.048 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529811 939838344 /nfs/dbraw/zinc/83/83/44/939838344.db2.gz UEIHPWCDWZZWQL-CEXWTWQISA-N 1 1 414.619 4.119 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1C#N ZINC000543314229 940026437 /nfs/dbraw/zinc/02/64/37/940026437.db2.gz AOLXWRRTQCYRSR-UHFFFAOYSA-N 1 1 413.572 4.028 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1C#N ZINC000543314229 940026441 /nfs/dbraw/zinc/02/64/41/940026441.db2.gz AOLXWRRTQCYRSR-UHFFFAOYSA-N 1 1 413.572 4.028 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000543363069 940041963 /nfs/dbraw/zinc/04/19/63/940041963.db2.gz UQVYCALZJNUTAZ-AUSIDOKSSA-N 1 1 402.542 4.285 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)n1 ZINC000543477283 940077824 /nfs/dbraw/zinc/07/78/24/940077824.db2.gz QYYQMTWUUPTBLP-DJJJIMSYSA-N 1 1 400.573 4.383 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000543638486 940145614 /nfs/dbraw/zinc/14/56/14/940145614.db2.gz YXXNIDZSSOPQTP-XMMPIXPASA-N 1 1 400.526 4.297 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000543638486 940145618 /nfs/dbraw/zinc/14/56/18/940145618.db2.gz YXXNIDZSSOPQTP-XMMPIXPASA-N 1 1 400.526 4.297 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2 ZINC000543873378 940219566 /nfs/dbraw/zinc/21/95/66/940219566.db2.gz NVPKWVHHMCXCIB-HNNXBMFYSA-N 1 1 409.555 4.140 20 30 HIEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C1 ZINC000544058838 940313378 /nfs/dbraw/zinc/31/33/78/940313378.db2.gz KACGSXYEQBOFAW-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C1 ZINC000544058838 940313383 /nfs/dbraw/zinc/31/33/83/940313383.db2.gz KACGSXYEQBOFAW-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)nc21 ZINC000544204844 940353153 /nfs/dbraw/zinc/35/31/53/940353153.db2.gz ULLNQLHSHXSLFQ-OAQYLSRUSA-N 1 1 409.493 4.388 20 30 HIEDMO Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)nc21 ZINC000544204844 940353157 /nfs/dbraw/zinc/35/31/57/940353157.db2.gz ULLNQLHSHXSLFQ-OAQYLSRUSA-N 1 1 409.493 4.388 20 30 HIEDMO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544228033 940360660 /nfs/dbraw/zinc/36/06/60/940360660.db2.gz TVTVQWWSKJQSRZ-GOSISDBHSA-N 1 1 407.518 4.209 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)s1 ZINC000544425425 940423969 /nfs/dbraw/zinc/42/39/69/940423969.db2.gz SQUCXHWEVCDRFU-SFHVURJKSA-N 1 1 400.573 4.333 20 30 HIEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000544530306 940472643 /nfs/dbraw/zinc/47/26/43/940472643.db2.gz NKZQYRKNMPPQSF-OALUTQOASA-N 1 1 412.578 4.011 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)Oc4ccccc4C#N)n3)cc2F)CC1 ZINC000545664556 940579537 /nfs/dbraw/zinc/57/95/37/940579537.db2.gz GYJDDUKUCPIDLI-MRXNPFEDSA-N 1 1 421.476 4.029 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000546711014 940871578 /nfs/dbraw/zinc/87/15/78/940871578.db2.gz DUNUEXJGGFTWLP-IRLDBZIGSA-N 1 1 404.514 4.085 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919183 940913287 /nfs/dbraw/zinc/91/32/87/940913287.db2.gz JACLEJWLDXIFBP-LJQANCHMSA-N 1 1 411.509 4.089 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000547843579 941078039 /nfs/dbraw/zinc/07/80/39/941078039.db2.gz QWHPHXKSFWFOJM-FQEVSTJZSA-N 1 1 416.447 4.079 20 30 HIEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000547984520 941081882 /nfs/dbraw/zinc/08/18/82/941081882.db2.gz LLSFUDOZKVSYLW-IBGZPJMESA-N 1 1 405.889 4.107 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548951532 941132964 /nfs/dbraw/zinc/13/29/64/941132964.db2.gz IHTWMHWOZJADOY-UHFFFAOYSA-N 1 1 416.554 4.063 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548954160 941133443 /nfs/dbraw/zinc/13/34/43/941133443.db2.gz BZYDWAKRKCWWHA-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549118257 941161927 /nfs/dbraw/zinc/16/19/27/941161927.db2.gz JWFQZHWGVXFNSZ-VWLOTQADSA-N 1 1 403.570 4.498 20 30 HIEDMO CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549118257 941161929 /nfs/dbraw/zinc/16/19/29/941161929.db2.gz JWFQZHWGVXFNSZ-VWLOTQADSA-N 1 1 403.570 4.498 20 30 HIEDMO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549299465 941178225 /nfs/dbraw/zinc/17/82/25/941178225.db2.gz RFTMVIGVQCEMHG-OAQYLSRUSA-N 1 1 411.594 4.218 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000549676120 941204090 /nfs/dbraw/zinc/20/40/90/941204090.db2.gz WVFMVIVJMODGDA-GOSISDBHSA-N 1 1 422.964 4.453 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549690653 941204688 /nfs/dbraw/zinc/20/46/88/941204688.db2.gz IFBCUOQHXBKOKA-SFTDATJTSA-N 1 1 408.594 4.315 20 30 HIEDMO Cc1ccsc1-c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000549844011 941213215 /nfs/dbraw/zinc/21/32/15/941213215.db2.gz ZYVUFWXRKCCTNR-UHFFFAOYSA-N 1 1 420.586 4.165 20 30 HIEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000551427120 941477235 /nfs/dbraw/zinc/47/72/35/941477235.db2.gz IYQVXOBFYPUKLQ-JOCHJYFZSA-N 1 1 421.541 4.027 20 30 HIEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000552076325 941580499 /nfs/dbraw/zinc/58/04/99/941580499.db2.gz HIQZPPBWCINIRQ-JOCHJYFZSA-N 1 1 407.514 4.289 20 30 HIEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000552076325 941580503 /nfs/dbraw/zinc/58/05/03/941580503.db2.gz HIQZPPBWCINIRQ-JOCHJYFZSA-N 1 1 407.514 4.289 20 30 HIEDMO N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552114582 941588066 /nfs/dbraw/zinc/58/80/66/941588066.db2.gz QTQDLEPDSZYFSF-SFHVURJKSA-N 1 1 405.889 4.107 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNc3nc4cc(Cl)ccn4c3C#N)CC2)cs1 ZINC000553058659 941825961 /nfs/dbraw/zinc/82/59/61/941825961.db2.gz IDDZXNRVPGEIKS-UHFFFAOYSA-N 1 1 414.966 4.202 20 30 HIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000553434726 941884140 /nfs/dbraw/zinc/88/41/40/941884140.db2.gz PEALXPHBMKYZKG-IBGZPJMESA-N 1 1 406.505 4.134 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554160742 942052331 /nfs/dbraw/zinc/05/23/31/942052331.db2.gz VEQFCLKMSWDCEX-DEOSSOPVSA-N 1 1 404.514 4.087 20 30 HIEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc(OC)c1OC ZINC000554227725 942072985 /nfs/dbraw/zinc/07/29/85/942072985.db2.gz IXYAVWOJOVLURP-LBPRGKRZSA-N 1 1 405.292 4.197 20 30 HIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000554564989 942168773 /nfs/dbraw/zinc/16/87/73/942168773.db2.gz PQMHEICLZJUPNH-UHFFFAOYSA-N 1 1 407.315 4.450 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840673 942277700 /nfs/dbraw/zinc/27/77/00/942277700.db2.gz ZROAFGHNZGFKOB-URXFXBBRSA-N 1 1 416.481 4.113 20 30 HIEDMO C=C(C)COCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554916621 942318135 /nfs/dbraw/zinc/31/81/35/942318135.db2.gz MTSIHOLMMFBBRP-VCYXJBJXSA-N 1 1 405.970 4.146 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000555256014 942448774 /nfs/dbraw/zinc/44/87/74/942448774.db2.gz SAYMJKSBUJBEEK-NHCUHLMSSA-N 1 1 411.594 4.323 20 30 HIEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000555263407 942452428 /nfs/dbraw/zinc/45/24/28/942452428.db2.gz AULOAIBOXYYJGB-MBSDFSHPSA-N 1 1 416.573 4.456 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000555267249 942455276 /nfs/dbraw/zinc/45/52/76/942455276.db2.gz SIBLERWNAVHSRG-GOSISDBHSA-N 1 1 423.586 4.475 20 30 HIEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231468 942823120 /nfs/dbraw/zinc/82/31/20/942823120.db2.gz AIOXWYHPUAXQDS-UKILVPOCSA-N 1 1 401.554 4.064 20 30 HIEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231468 942823123 /nfs/dbraw/zinc/82/31/23/942823123.db2.gz AIOXWYHPUAXQDS-UKILVPOCSA-N 1 1 401.554 4.064 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000556971224 942984367 /nfs/dbraw/zinc/98/43/67/942984367.db2.gz NAXJAFOGFGTYTA-GOTSBHOMSA-N 1 1 421.516 4.078 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976255 942986235 /nfs/dbraw/zinc/98/62/35/942986235.db2.gz JTNVDWZUHMNYQI-RBBKRZOGSA-N 1 1 417.887 4.373 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976255 942986238 /nfs/dbraw/zinc/98/62/38/942986238.db2.gz JTNVDWZUHMNYQI-RBBKRZOGSA-N 1 1 417.887 4.373 20 30 HIEDMO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000557062467 943009699 /nfs/dbraw/zinc/00/96/99/943009699.db2.gz WFANVLZNUZYOBH-LJQANCHMSA-N 1 1 410.468 4.228 20 30 HIEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557550960 943204992 /nfs/dbraw/zinc/20/49/92/943204992.db2.gz PQBOTIXZKIYTNQ-KRWDZBQOSA-N 1 1 404.986 4.055 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc(N)c1[N+](=O)[O-] ZINC000557574276 943215778 /nfs/dbraw/zinc/21/57/78/943215778.db2.gz VORIPBOGLVKJHS-UHFFFAOYSA-N 1 1 420.300 4.432 20 30 HIEDMO Cc1cnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1-c1ccccc1F ZINC000558890713 943723032 /nfs/dbraw/zinc/72/30/32/943723032.db2.gz YHUITUZAYBTOOB-UHFFFAOYSA-N 1 1 401.489 4.175 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558924694 943749136 /nfs/dbraw/zinc/74/91/36/943749136.db2.gz FLRYHEIBGYJMLH-QFIPXVFZSA-N 1 1 414.557 4.033 20 30 HIEDMO CCc1nc2ccccc2c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000559262457 943887350 /nfs/dbraw/zinc/88/73/50/943887350.db2.gz RMRASGLQHMFZMH-UHFFFAOYSA-N 1 1 412.537 4.325 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cnccc2OC)cc1OCC ZINC000560541595 944247926 /nfs/dbraw/zinc/24/79/26/944247926.db2.gz DAMFRDRACNENGU-UHFFFAOYSA-N 1 1 407.308 4.106 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000560572772 944258968 /nfs/dbraw/zinc/25/89/68/944258968.db2.gz VFVKJLZQJKGCOY-SFHVURJKSA-N 1 1 422.344 4.022 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCCO1 ZINC000561011104 944395689 /nfs/dbraw/zinc/39/56/89/944395689.db2.gz FJOAEHJYTDYERT-KRWDZBQOSA-N 1 1 403.592 4.498 20 30 HIEDMO C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000561535993 944661004 /nfs/dbraw/zinc/66/10/04/944661004.db2.gz OABQSHHRQKPYFF-KRWDZBQOSA-N 1 1 407.489 4.436 20 30 HIEDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Br)cc3C#N)ccc2NC1=O ZINC000561857393 944823429 /nfs/dbraw/zinc/82/34/29/944823429.db2.gz LKSRDBKEIQNFOO-SGTLLEGYSA-N 1 1 414.303 4.281 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000562024741 944900450 /nfs/dbraw/zinc/90/04/50/944900450.db2.gz MXHIRFIOYYXSBE-XMSQKQJNSA-N 1 1 417.557 4.430 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000562031076 944903381 /nfs/dbraw/zinc/90/33/81/944903381.db2.gz DSBFWAHBCQFVMI-VWLOTQADSA-N 1 1 414.557 4.019 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)cc2)ccn1 ZINC000562109293 944944887 /nfs/dbraw/zinc/94/48/87/944944887.db2.gz TUJWZQTYZTULIS-UHFFFAOYSA-N 1 1 405.502 4.228 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000564491316 945620407 /nfs/dbraw/zinc/62/04/07/945620407.db2.gz LVXXDAQBKBCJPC-UHFFFAOYSA-N 1 1 405.473 4.320 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000568331465 946513031 /nfs/dbraw/zinc/51/30/31/946513031.db2.gz ASKXJQDLMSHTTR-LJQANCHMSA-N 1 1 400.567 4.310 20 30 HIEDMO COc1cc(CNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)ccc1C#N ZINC000568690658 946657727 /nfs/dbraw/zinc/65/77/27/946657727.db2.gz DVWMAMITTFUENM-UHFFFAOYSA-N 1 1 407.543 4.396 20 30 HIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112975 946817952 /nfs/dbraw/zinc/81/79/52/946817952.db2.gz VNGQCLYKXRPXIG-NRFANRHFSA-N 1 1 403.534 4.316 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841719 947801718 /nfs/dbraw/zinc/80/17/18/947801718.db2.gz JUOZDAYYATVJKV-MRXNPFEDSA-N 1 1 409.452 4.392 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000573025497 948062175 /nfs/dbraw/zinc/06/21/75/948062175.db2.gz NJTSGDTUYGVKBQ-UHFFFAOYSA-N 1 1 420.605 4.483 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574245585 948397400 /nfs/dbraw/zinc/39/74/00/948397400.db2.gz AMCURGPIADYUNW-HXUWFJFHSA-N 1 1 402.464 4.459 20 30 HIEDMO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1F ZINC000575098797 948592520 /nfs/dbraw/zinc/59/25/20/948592520.db2.gz ZDWCLTFIPNWYGU-UHFFFAOYSA-N 1 1 419.460 4.138 20 30 HIEDMO N#Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629038 719110083 /nfs/dbraw/zinc/11/00/83/719110083.db2.gz QNTMSCBKEVRFLX-JPYJTQIMSA-N 1 1 413.481 4.115 20 30 HIEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2CC ZINC001164697177 719822702 /nfs/dbraw/zinc/82/27/02/719822702.db2.gz AMXWJQPAMCBMEQ-XXBNENTESA-N 1 1 416.997 4.257 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164838848 720722312 /nfs/dbraw/zinc/72/23/12/720722312.db2.gz JKBVGYCMRIYJLE-FQEVSTJZSA-N 1 1 410.949 4.061 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@H]2C ZINC001164861954 721004496 /nfs/dbraw/zinc/00/44/96/721004496.db2.gz RUEISKJJYLPXTQ-INIZCTEOSA-N 1 1 406.559 4.300 20 30 HIEDMO C=CCOCc1nn(C)c2c1CN(c1ccc([C@@H]3CCCC[N@@H+]3CCC)cn1)CC2 ZINC001164790298 721446961 /nfs/dbraw/zinc/44/69/61/721446961.db2.gz XXUUVMZUKNFKCL-QFIPXVFZSA-N 1 1 409.578 4.017 20 30 HIEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903125 721554809 /nfs/dbraw/zinc/55/48/09/721554809.db2.gz ARZMSLQVLCPVMZ-UYAOXDASSA-N 1 1 420.513 4.163 20 30 HIEDMO N#Cc1ccc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908506 721699794 /nfs/dbraw/zinc/69/97/94/721699794.db2.gz ZOTXHCBNSQLZKW-QHCPKHFHSA-N 1 1 419.479 4.239 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@@H]21 ZINC001165019859 721811956 /nfs/dbraw/zinc/81/19/56/721811956.db2.gz BZYCYBUDEKVGRJ-WTIAFYNJSA-N 1 1 401.558 4.159 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]21 ZINC001165028194 721822495 /nfs/dbraw/zinc/82/24/95/721822495.db2.gz UVNMFYWHZYUFJH-UMXIMWEHSA-N 1 1 424.552 4.147 20 30 HIEDMO CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000435943259 861208203 /nfs/dbraw/zinc/20/82/03/861208203.db2.gz OMDNTIQDOMLQKI-TZIWHRDSSA-N 1 1 422.598 4.398 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000436256022 861567292 /nfs/dbraw/zinc/56/72/92/861567292.db2.gz ZJADWJLXKXXKSV-HSZRJFAPSA-N 1 1 402.494 4.311 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000436332661 861638411 /nfs/dbraw/zinc/63/84/11/861638411.db2.gz PLLQEKCDZCJDJX-GMKZXUHWSA-N 1 1 405.517 4.336 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016379929 846162558 /nfs/dbraw/zinc/16/25/58/846162558.db2.gz PJBBPYIYHFWKJN-RUZDIDTESA-N 1 1 408.542 4.076 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016379929 846162563 /nfs/dbraw/zinc/16/25/63/846162563.db2.gz PJBBPYIYHFWKJN-RUZDIDTESA-N 1 1 408.542 4.076 20 30 HIEDMO CC(C)(C)c1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405885 846438623 /nfs/dbraw/zinc/43/86/23/846438623.db2.gz QUMGXLDJTXLVMM-UHFFFAOYSA-N 1 1 404.558 4.002 20 30 HIEDMO CCCCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000023752768 846745545 /nfs/dbraw/zinc/74/55/45/846745545.db2.gz FKUTZPNRBYXNNQ-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO CCCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000023752768 846745550 /nfs/dbraw/zinc/74/55/50/846745550.db2.gz FKUTZPNRBYXNNQ-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000025440845 846977918 /nfs/dbraw/zinc/97/79/18/846977918.db2.gz RMFAKOJQVZBNQF-OAQYLSRUSA-N 1 1 416.525 4.264 20 30 HIEDMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208184 847266195 /nfs/dbraw/zinc/26/61/95/847266195.db2.gz OLZZEWNCDIWWBL-RSXGOPAZSA-N 1 1 400.522 4.466 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1Cl ZINC000028883108 847471677 /nfs/dbraw/zinc/47/16/77/847471677.db2.gz HISKZBLOBUKWDZ-UHFFFAOYSA-N 1 1 423.369 4.073 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)s1 ZINC000028885074 847471930 /nfs/dbraw/zinc/47/19/30/847471930.db2.gz KIYYZOLQGVRCBU-UHFFFAOYSA-N 1 1 424.389 4.393 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)Nc3nc(C[NH+]4CCCCCC4)cs3)on2)c1 ZINC000436452273 861808638 /nfs/dbraw/zinc/80/86/38/861808638.db2.gz RRKXOTZWMQLCHG-UHFFFAOYSA-N 1 1 407.499 4.298 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3occc3COc3ccccc3)CC2)cc1 ZINC000029985678 847663879 /nfs/dbraw/zinc/66/38/79/847663879.db2.gz YZANBMYMODGNIB-UHFFFAOYSA-N 1 1 415.493 4.078 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3occc3COc3ccccc3)CC2)cc1 ZINC000029985678 847663883 /nfs/dbraw/zinc/66/38/83/847663883.db2.gz YZANBMYMODGNIB-UHFFFAOYSA-N 1 1 415.493 4.078 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042326577 848317710 /nfs/dbraw/zinc/31/77/10/848317710.db2.gz ZVUQBYLREKBLCF-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042326577 848317719 /nfs/dbraw/zinc/31/77/19/848317719.db2.gz ZVUQBYLREKBLCF-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000042684148 848344396 /nfs/dbraw/zinc/34/43/96/848344396.db2.gz SVFAFRRMLGFTJH-GOSISDBHSA-N 1 1 410.949 4.055 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccco1 ZINC000043138026 848388539 /nfs/dbraw/zinc/38/85/39/848388539.db2.gz XZVGTTNJVCBDSB-JOCHJYFZSA-N 1 1 418.497 4.349 20 30 HIEDMO N#CCc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000044553469 848570155 /nfs/dbraw/zinc/57/01/55/848570155.db2.gz RPNFCFZSUOBHOY-QFIPXVFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#CCc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000044553469 848570162 /nfs/dbraw/zinc/57/01/62/848570162.db2.gz RPNFCFZSUOBHOY-QFIPXVFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000046325430 848823218 /nfs/dbraw/zinc/82/32/18/848823218.db2.gz IMMAEFVXXFUSGZ-UHFFFAOYSA-N 1 1 403.526 4.228 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000046325430 848823221 /nfs/dbraw/zinc/82/32/21/848823221.db2.gz IMMAEFVXXFUSGZ-UHFFFAOYSA-N 1 1 403.526 4.228 20 30 HIEDMO CSc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054683 848977751 /nfs/dbraw/zinc/97/77/51/848977751.db2.gz RRGLMORBHOXIQQ-SFHVURJKSA-N 1 1 408.571 4.259 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132772 849434477 /nfs/dbraw/zinc/43/44/77/849434477.db2.gz DAMQTQICBXZNNR-AUSIDOKSSA-N 1 1 409.555 4.340 20 30 HIEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472393 849473377 /nfs/dbraw/zinc/47/33/77/849473377.db2.gz XEPMLMQYYGTZJT-PZJWPPBQSA-N 1 1 415.331 4.092 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Oc3cccnc3)CC2)cc1 ZINC000052027378 849543772 /nfs/dbraw/zinc/54/37/72/849543772.db2.gz JGGGDKQYFISCPS-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Oc3cccnc3)CC2)cc1 ZINC000052027378 849543777 /nfs/dbraw/zinc/54/37/77/849543777.db2.gz JGGGDKQYFISCPS-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039611 850234382 /nfs/dbraw/zinc/23/43/82/850234382.db2.gz FVUWDPVTYZCGQE-UHFFFAOYSA-N 1 1 411.505 4.352 20 30 HIEDMO COc1cc(-c2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cs2)ccc1O ZINC000436939001 862116693 /nfs/dbraw/zinc/11/66/93/862116693.db2.gz XJCPQHURTDPXPI-UHFFFAOYSA-N 1 1 421.522 4.439 20 30 HIEDMO Cc1nc(SCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(C#N)c(C)c1C ZINC000060440602 851100614 /nfs/dbraw/zinc/10/06/14/851100614.db2.gz CBUAPHFXHVYQPF-IBGZPJMESA-N 1 1 416.978 4.043 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477373 851112629 /nfs/dbraw/zinc/11/26/29/851112629.db2.gz DAHNOLDUGWUACK-CQSZACIVSA-N 1 1 401.894 4.250 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477373 851112632 /nfs/dbraw/zinc/11/26/32/851112632.db2.gz DAHNOLDUGWUACK-CQSZACIVSA-N 1 1 401.894 4.250 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000063300301 851655008 /nfs/dbraw/zinc/65/50/08/851655008.db2.gz IIBQDYXGLXALBX-UHFFFAOYSA-N 1 1 416.294 4.477 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464321 851695895 /nfs/dbraw/zinc/69/58/95/851695895.db2.gz PKDPIWQCKRRWCU-XMMPIXPASA-N 1 1 404.558 4.392 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063615160 851725206 /nfs/dbraw/zinc/72/52/06/851725206.db2.gz LPTPCFVCXNXWQL-UHFFFAOYSA-N 1 1 412.534 4.421 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000064735956 851971796 /nfs/dbraw/zinc/97/17/96/851971796.db2.gz RJUUFZIXMFPYTF-NSHGMRRFSA-N 1 1 407.514 4.208 20 30 HIEDMO CCC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491140 852617990 /nfs/dbraw/zinc/61/79/90/852617990.db2.gz ITMHFCOFZUCKHE-QFIPXVFZSA-N 1 1 421.541 4.151 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000107606437 852781149 /nfs/dbraw/zinc/78/11/49/852781149.db2.gz VISFLNZNKYDPJE-LJQANCHMSA-N 1 1 421.589 4.037 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)cc1 ZINC000108056687 852819974 /nfs/dbraw/zinc/81/99/74/852819974.db2.gz AFDLIXUQEMWSPQ-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)cc1 ZINC000108056687 852819978 /nfs/dbraw/zinc/81/99/78/852819978.db2.gz AFDLIXUQEMWSPQ-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000111018972 853187769 /nfs/dbraw/zinc/18/77/69/853187769.db2.gz UMAXSHCFFMWTFT-HXUWFJFHSA-N 1 1 409.505 4.383 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C#N ZINC000138860105 853397814 /nfs/dbraw/zinc/39/78/14/853397814.db2.gz OSOUEBMPPJEESE-JOCHJYFZSA-N 1 1 418.497 4.099 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1C#N ZINC000138860105 853397822 /nfs/dbraw/zinc/39/78/22/853397822.db2.gz OSOUEBMPPJEESE-JOCHJYFZSA-N 1 1 418.497 4.099 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 ZINC000237474585 854041045 /nfs/dbraw/zinc/04/10/45/854041045.db2.gz RXLBXPXUDIDBTQ-QFIPXVFZSA-N 1 1 412.461 4.119 20 30 HIEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000250963058 854196389 /nfs/dbraw/zinc/19/63/89/854196389.db2.gz UILOXIXWIFWOES-OXJNMPFZSA-N 1 1 413.484 4.119 20 30 HIEDMO CC(=O)c1ccc(C#N)cc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000302026951 854517851 /nfs/dbraw/zinc/51/78/51/854517851.db2.gz AEFQXVROIHMHBR-UHFFFAOYSA-N 1 1 401.432 4.492 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000302133015 854535022 /nfs/dbraw/zinc/53/50/22/854535022.db2.gz YWLBYSXKIZINSJ-UHFFFAOYSA-N 1 1 409.946 4.442 20 30 HIEDMO C[N@@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302696215 854607213 /nfs/dbraw/zinc/60/72/13/854607213.db2.gz WLHAQGLTEVXPFM-FPOVZHCZSA-N 1 1 409.396 4.150 20 30 HIEDMO C[N@H+]1CC[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302696215 854607219 /nfs/dbraw/zinc/60/72/19/854607219.db2.gz WLHAQGLTEVXPFM-FPOVZHCZSA-N 1 1 409.396 4.150 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303376242 854898709 /nfs/dbraw/zinc/89/87/09/854898709.db2.gz LJCPGVCBEBQMTP-IBGZPJMESA-N 1 1 408.571 4.089 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000303376242 854898710 /nfs/dbraw/zinc/89/87/10/854898710.db2.gz LJCPGVCBEBQMTP-IBGZPJMESA-N 1 1 408.571 4.089 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000303661361 855114395 /nfs/dbraw/zinc/11/43/95/855114395.db2.gz VSGZFFIQWVFZHB-XPWALMASSA-N 1 1 410.606 4.217 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000303666402 855118957 /nfs/dbraw/zinc/11/89/57/855118957.db2.gz FIPMTTRXELISJY-NRFANRHFSA-N 1 1 406.530 4.251 20 30 HIEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390580403 855455915 /nfs/dbraw/zinc/45/59/15/855455915.db2.gz ZCXNHUMGALPJCJ-OAQYLSRUSA-N 1 1 413.359 4.215 20 30 HIEDMO C#CCOc1ccc(Br)cc1CNC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390580403 855455917 /nfs/dbraw/zinc/45/59/17/855455917.db2.gz ZCXNHUMGALPJCJ-OAQYLSRUSA-N 1 1 413.359 4.215 20 30 HIEDMO N#Cc1c(C#N)c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2c1CCCCCC2 ZINC000409651357 855584179 /nfs/dbraw/zinc/58/41/79/855584179.db2.gz KLXIHEZYCXMRLN-SFHVURJKSA-N 1 1 414.557 4.401 20 30 HIEDMO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1Cl ZINC000410008417 855776884 /nfs/dbraw/zinc/77/68/84/855776884.db2.gz DCHOAVBIINTGMO-UHFFFAOYSA-N 1 1 404.848 4.276 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000410370472 855957168 /nfs/dbraw/zinc/95/71/68/855957168.db2.gz CYDGAKAUTHBSMQ-IYBDPMFKSA-N 1 1 412.921 4.143 20 30 HIEDMO CC[N@@H+](CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)CCC(F)(F)F ZINC000425964906 856020577 /nfs/dbraw/zinc/02/05/77/856020577.db2.gz RUCMOVJTBWJSLV-UHFFFAOYSA-N 1 1 418.463 4.299 20 30 HIEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426140876 856134492 /nfs/dbraw/zinc/13/44/92/856134492.db2.gz QNJJOMCKYBUJBR-LJQANCHMSA-N 1 1 400.910 4.043 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000426145350 856138038 /nfs/dbraw/zinc/13/80/38/856138038.db2.gz ZOFYKPXSIUYFQN-UHFFFAOYSA-N 1 1 417.966 4.264 20 30 HIEDMO COC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426379349 856265782 /nfs/dbraw/zinc/26/57/82/856265782.db2.gz PPUXXZKGZQFMIF-UHFFFAOYSA-N 1 1 401.428 4.264 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000427009088 856593120 /nfs/dbraw/zinc/59/31/20/856593120.db2.gz PEWFOCUQQCZXEY-SJORKVTESA-N 1 1 417.619 4.458 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3nc4c(cc3C#N)CCCC4(C)C)CC2)oc1C ZINC000428131922 857084216 /nfs/dbraw/zinc/08/42/16/857084216.db2.gz ZTBVSXWZEHQLAC-UHFFFAOYSA-N 1 1 407.562 4.496 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786393 857338599 /nfs/dbraw/zinc/33/85/99/857338599.db2.gz ICXKHJGRUKWDGM-GGAORHGYSA-N 1 1 423.476 4.246 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786393 857338607 /nfs/dbraw/zinc/33/86/07/857338607.db2.gz ICXKHJGRUKWDGM-GGAORHGYSA-N 1 1 423.476 4.246 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789596 857340785 /nfs/dbraw/zinc/34/07/85/857340785.db2.gz AHDKLXAVGQNBAB-NQIIRXRSSA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789596 857340793 /nfs/dbraw/zinc/34/07/93/857340793.db2.gz AHDKLXAVGQNBAB-NQIIRXRSSA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789598 857340879 /nfs/dbraw/zinc/34/08/79/857340879.db2.gz AHDKLXAVGQNBAB-RXVVDRJESA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789598 857340882 /nfs/dbraw/zinc/34/08/82/857340882.db2.gz AHDKLXAVGQNBAB-RXVVDRJESA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794960 857343950 /nfs/dbraw/zinc/34/39/50/857343950.db2.gz PCZZAQBTTNQTLX-WZONZLPQSA-N 1 1 412.493 4.420 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911329 857408955 /nfs/dbraw/zinc/40/89/55/857408955.db2.gz JIBJYZKFEPXQQR-DENIHFKCSA-N 1 1 413.525 4.029 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429038284 857468271 /nfs/dbraw/zinc/46/82/71/857468271.db2.gz WISIDVGNKLMPLM-NRFANRHFSA-N 1 1 408.571 4.227 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000429038284 857468279 /nfs/dbraw/zinc/46/82/79/857468279.db2.gz WISIDVGNKLMPLM-NRFANRHFSA-N 1 1 408.571 4.227 20 30 HIEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000429255102 857576797 /nfs/dbraw/zinc/57/67/97/857576797.db2.gz OYERJXGLSCWPCK-KDURUIRLSA-N 1 1 412.578 4.231 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1Cl ZINC000429285274 857590614 /nfs/dbraw/zinc/59/06/14/857590614.db2.gz GJASVXBEHNYLJN-UHFFFAOYSA-N 1 1 404.901 4.290 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1Cl ZINC000429285274 857590619 /nfs/dbraw/zinc/59/06/19/857590619.db2.gz GJASVXBEHNYLJN-UHFFFAOYSA-N 1 1 404.901 4.290 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1Cl ZINC000429733037 857855926 /nfs/dbraw/zinc/85/59/26/857855926.db2.gz AQZHFHHIJCJKDY-NRFANRHFSA-N 1 1 421.932 4.150 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185121 858071051 /nfs/dbraw/zinc/07/10/51/858071051.db2.gz IKAXQKKGKMWUIF-MRXNPFEDSA-N 1 1 406.467 4.243 20 30 HIEDMO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826260 858319015 /nfs/dbraw/zinc/31/90/15/858319015.db2.gz VERGXHWIGUZEPF-AVRDEDQJSA-N 1 1 401.514 4.093 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)sc2c1CCC2 ZINC000430958735 858383188 /nfs/dbraw/zinc/38/31/88/858383188.db2.gz ZGKWHYNKUYRWOK-LJQANCHMSA-N 1 1 423.582 4.161 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000431209112 858504139 /nfs/dbraw/zinc/50/41/39/858504139.db2.gz PYVGYWOEICSXOC-CRAIPNDOSA-N 1 1 414.456 4.334 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935161 858877273 /nfs/dbraw/zinc/87/72/73/858877273.db2.gz GFYDQZSQFKIFDZ-ISKFKSNPSA-N 1 1 404.558 4.285 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000431990278 858908210 /nfs/dbraw/zinc/90/82/10/858908210.db2.gz FBZBTFKXRORZGU-QGZVFWFLSA-N 1 1 418.497 4.097 20 30 HIEDMO C[N@@H+](CCSCC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000433032455 859491162 /nfs/dbraw/zinc/49/11/62/859491162.db2.gz MDPAWIVPATWSHC-UHFFFAOYSA-N 1 1 401.963 4.452 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1C#N ZINC000433076282 859512363 /nfs/dbraw/zinc/51/23/63/859512363.db2.gz NHHZFAPWROECBJ-NRFANRHFSA-N 1 1 416.525 4.436 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c1C#N ZINC000433076282 859512371 /nfs/dbraw/zinc/51/23/71/859512371.db2.gz NHHZFAPWROECBJ-NRFANRHFSA-N 1 1 416.525 4.436 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433243774 859587898 /nfs/dbraw/zinc/58/78/98/859587898.db2.gz DRRAZOZDPHFEGI-KDURUIRLSA-N 1 1 422.529 4.232 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433243774 859587904 /nfs/dbraw/zinc/58/79/04/859587904.db2.gz DRRAZOZDPHFEGI-KDURUIRLSA-N 1 1 422.529 4.232 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2cc(F)ccc2Br)c(-c2ccncc2)n1 ZINC000433311977 859633051 /nfs/dbraw/zinc/63/30/51/859633051.db2.gz OLVKJOFUAROFFM-UHFFFAOYSA-N 1 1 414.282 4.050 20 30 HIEDMO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2ccncc2)cs1 ZINC000433342556 859655117 /nfs/dbraw/zinc/65/51/17/859655117.db2.gz LHKQVEXCVFBYIW-MRXNPFEDSA-N 1 1 415.526 4.228 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000467708882 881507416 /nfs/dbraw/zinc/50/74/16/881507416.db2.gz MLCJIVCDXSDCGC-RTWAWAEBSA-N 1 1 404.514 4.146 20 30 HIEDMO COC(=O)[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000434856592 860525552 /nfs/dbraw/zinc/52/55/52/860525552.db2.gz CUZUQKZRLJKLQA-DEOSSOPVSA-N 1 1 405.542 4.327 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(OC(F)(F)F)c1 ZINC000435132678 860656837 /nfs/dbraw/zinc/65/68/37/860656837.db2.gz KMKDEHYTYJWYPC-UHFFFAOYSA-N 1 1 415.419 4.389 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1F ZINC000435545108 860859568 /nfs/dbraw/zinc/85/95/68/860859568.db2.gz IEZBLFSVZYIKKU-UHFFFAOYSA-N 1 1 407.449 4.300 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000435553277 860870280 /nfs/dbraw/zinc/87/02/80/860870280.db2.gz CTUZBDVVORIDLU-FQEVSTJZSA-N 1 1 406.530 4.331 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000435665020 860943596 /nfs/dbraw/zinc/94/35/96/860943596.db2.gz OOEWQVNNWUDFGK-UHFFFAOYSA-N 1 1 418.566 4.468 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437763686 863083899 /nfs/dbraw/zinc/08/38/99/863083899.db2.gz MNQGPQPXRZLYLR-DBOLQNLKSA-N 1 1 423.960 4.283 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437763686 863083912 /nfs/dbraw/zinc/08/39/12/863083912.db2.gz MNQGPQPXRZLYLR-DBOLQNLKSA-N 1 1 423.960 4.283 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@H+]1C ZINC000437981693 863346585 /nfs/dbraw/zinc/34/65/85/863346585.db2.gz BBZLLRGINUJWNZ-JXFKEZNVSA-N 1 1 410.493 4.223 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000438180357 863604884 /nfs/dbraw/zinc/60/48/84/863604884.db2.gz CBMQLVAIHQZHKW-GOSISDBHSA-N 1 1 408.502 4.165 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445966 863871734 /nfs/dbraw/zinc/87/17/34/863871734.db2.gz DKROZNZHFHAUHC-LOSJGSFVSA-N 1 1 421.585 4.311 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+](C)C ZINC000438637124 864070405 /nfs/dbraw/zinc/07/04/05/864070405.db2.gz RPBZLKITHYPZFH-KRWDZBQOSA-N 1 1 406.408 4.010 20 30 HIEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000438652276 864094427 /nfs/dbraw/zinc/09/44/27/864094427.db2.gz AQZWLUUWMQEBET-GOSISDBHSA-N 1 1 407.514 4.061 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nnc(-c5ccc(C#N)cc5)o4)CC3)c2c1 ZINC000438748897 864238404 /nfs/dbraw/zinc/23/84/04/864238404.db2.gz DEUKZKINACRLOS-UHFFFAOYSA-N 1 1 411.465 4.387 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nnc(-c5ccc(C#N)cc5)o4)CC3)c2c1 ZINC000438748897 864238431 /nfs/dbraw/zinc/23/84/31/864238431.db2.gz DEUKZKINACRLOS-UHFFFAOYSA-N 1 1 411.465 4.387 20 30 HIEDMO CC[C@](C)(O)C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000439258451 864675052 /nfs/dbraw/zinc/67/50/52/864675052.db2.gz IIANARXLCPKXOL-VWLOTQADSA-N 1 1 403.526 4.401 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CC[C@H](O)CC3)sc2C1 ZINC000439303128 864731181 /nfs/dbraw/zinc/73/11/81/864731181.db2.gz OTIUJVSMUYRZDW-BRWVUGGUSA-N 1 1 417.619 4.335 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481511 864847360 /nfs/dbraw/zinc/84/73/60/864847360.db2.gz IPQOEIRZNVRQGK-SBUREZEXSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481511 864847361 /nfs/dbraw/zinc/84/73/61/864847361.db2.gz IPQOEIRZNVRQGK-SBUREZEXSA-N 1 1 405.546 4.335 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439776784 865101372 /nfs/dbraw/zinc/10/13/72/865101372.db2.gz XSRVMMZOEWIWKE-SFHVURJKSA-N 1 1 410.352 4.414 20 30 HIEDMO N#CC1CCC(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000441002267 866075821 /nfs/dbraw/zinc/07/58/21/866075821.db2.gz JUPZZFUVGLXRQV-UHFFFAOYSA-N 1 1 416.569 4.433 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060193 866141506 /nfs/dbraw/zinc/14/15/06/866141506.db2.gz JWYGUPHLSPBPAS-TZMCWYRMSA-N 1 1 408.449 4.240 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060193 866141518 /nfs/dbraw/zinc/14/15/18/866141518.db2.gz JWYGUPHLSPBPAS-TZMCWYRMSA-N 1 1 408.449 4.240 20 30 HIEDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468118296 881948450 /nfs/dbraw/zinc/94/84/50/881948450.db2.gz AWQATLFSHYSXSS-LBPRGKRZSA-N 1 1 401.482 4.335 20 30 HIEDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468118296 881948463 /nfs/dbraw/zinc/94/84/63/881948463.db2.gz AWQATLFSHYSXSS-LBPRGKRZSA-N 1 1 401.482 4.335 20 30 HIEDMO CS[C@H]1CCCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133981 866226411 /nfs/dbraw/zinc/22/64/11/866226411.db2.gz IIGLHUXVOFCDHB-IBGZPJMESA-N 1 1 414.575 4.164 20 30 HIEDMO C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000441623463 866723217 /nfs/dbraw/zinc/72/32/17/866723217.db2.gz UEPPMVMLAQFTNQ-FQEVSTJZSA-N 1 1 424.976 4.183 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182753 867205328 /nfs/dbraw/zinc/20/53/28/867205328.db2.gz RIONHRLWOGFNPG-AEFFLSMTSA-N 1 1 404.392 4.024 20 30 HIEDMO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)C[C@H]1CCCCO1 ZINC000443121271 867830178 /nfs/dbraw/zinc/83/01/78/867830178.db2.gz XMEMRHNQTWFAIM-JOCHJYFZSA-N 1 1 407.514 4.296 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)C[C@H]1CCCCO1 ZINC000443121271 867830184 /nfs/dbraw/zinc/83/01/84/867830184.db2.gz XMEMRHNQTWFAIM-JOCHJYFZSA-N 1 1 407.514 4.296 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1CCCCC2 ZINC000444168492 868646092 /nfs/dbraw/zinc/64/60/92/868646092.db2.gz IALHLZJUAPQWFC-IBGZPJMESA-N 1 1 423.582 4.366 20 30 HIEDMO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1CCCCC2 ZINC000444168492 868646095 /nfs/dbraw/zinc/64/60/95/868646095.db2.gz IALHLZJUAPQWFC-IBGZPJMESA-N 1 1 423.582 4.366 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444204406 868664965 /nfs/dbraw/zinc/66/49/65/868664965.db2.gz IGHBZLJKJLWLCN-MJGOQNOKSA-N 1 1 401.576 4.443 20 30 HIEDMO C[C@@H](N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1)C(F)(F)F ZINC000444638868 868925789 /nfs/dbraw/zinc/92/57/89/868925789.db2.gz KOXWDPQZNAHXGB-LJQANCHMSA-N 1 1 401.476 4.455 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444667117 868946543 /nfs/dbraw/zinc/94/65/43/868946543.db2.gz ATMOFJYABFBSJJ-NWDGAFQWSA-N 1 1 401.417 4.191 20 30 HIEDMO O=C1[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC000444740788 868983112 /nfs/dbraw/zinc/98/31/12/868983112.db2.gz WTHLMIRHIBPTRY-NEPJUHHUSA-N 1 1 422.291 4.452 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(Cl)c1 ZINC000444773596 868996694 /nfs/dbraw/zinc/99/66/94/868996694.db2.gz RSTYOSADTILGGP-UHFFFAOYSA-N 1 1 413.934 4.078 20 30 HIEDMO CCCOc1cc(C)ccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000445856889 869859958 /nfs/dbraw/zinc/85/99/58/869859958.db2.gz IPCNJAKXOCBVHQ-UHFFFAOYSA-N 1 1 420.557 4.073 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445881874 869870575 /nfs/dbraw/zinc/87/05/75/869870575.db2.gz WTTXVJAFCWQWQH-QGZVFWFLSA-N 1 1 417.303 4.164 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)sc2c1CCCCC2 ZINC000446716172 870632343 /nfs/dbraw/zinc/63/23/43/870632343.db2.gz HIYXNRULJYYYTC-UHFFFAOYSA-N 1 1 424.526 4.184 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)sc2c1CCCCC2 ZINC000446716172 870632363 /nfs/dbraw/zinc/63/23/63/870632363.db2.gz HIYXNRULJYYYTC-UHFFFAOYSA-N 1 1 424.526 4.184 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448035859 871869132 /nfs/dbraw/zinc/86/91/32/871869132.db2.gz SWECRYLGBMBNPG-QRWLVFNGSA-N 1 1 408.571 4.339 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448035859 871869136 /nfs/dbraw/zinc/86/91/36/871869136.db2.gz SWECRYLGBMBNPG-QRWLVFNGSA-N 1 1 408.571 4.339 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448196688 872083301 /nfs/dbraw/zinc/08/33/01/872083301.db2.gz AIKDTYVKYLNSRX-HYBUGGRVSA-N 1 1 401.510 4.439 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000448314600 872251056 /nfs/dbraw/zinc/25/10/56/872251056.db2.gz PTLRWIFITMJWJW-OAQYLSRUSA-N 1 1 405.542 4.235 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460764997 873606417 /nfs/dbraw/zinc/60/64/17/873606417.db2.gz ADTZJCRAYAAHQG-LPHOPBHVSA-N 1 1 417.985 4.350 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460947714 873845711 /nfs/dbraw/zinc/84/57/11/873845711.db2.gz HQRBJKSCTDUNAN-WSTZPKSXSA-N 1 1 415.557 4.442 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461315691 874323679 /nfs/dbraw/zinc/32/36/79/874323679.db2.gz CZWDJUUGYNJWFB-FXAWDEMLSA-N 1 1 420.586 4.236 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836141 882883025 /nfs/dbraw/zinc/88/30/25/882883025.db2.gz GAYHQIDWLXTJEB-XLIONFOSSA-N 1 1 407.539 4.423 20 30 HIEDMO C[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1cccc(C#N)c1 ZINC000462029622 875144324 /nfs/dbraw/zinc/14/43/24/875144324.db2.gz VJBSPOUDIJFHAD-GOSISDBHSA-N 1 1 414.509 4.098 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462258140 875382460 /nfs/dbraw/zinc/38/24/60/875382460.db2.gz QRPRXEQIUHKUPD-MFSJNOQSSA-N 1 1 404.558 4.124 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462258140 875382476 /nfs/dbraw/zinc/38/24/76/875382476.db2.gz QRPRXEQIUHKUPD-MFSJNOQSSA-N 1 1 404.558 4.124 20 30 HIEDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468916421 882975981 /nfs/dbraw/zinc/97/59/81/882975981.db2.gz JIFCYLKNVIFXBJ-OZXSUGGESA-N 1 1 414.505 4.106 20 30 HIEDMO CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000463056874 876085177 /nfs/dbraw/zinc/08/51/77/876085177.db2.gz GSJNNRLZVRJZJN-DEOSSOPVSA-N 1 1 420.534 4.013 20 30 HIEDMO C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000468940566 883006450 /nfs/dbraw/zinc/00/64/50/883006450.db2.gz JPJRMCMEJPIUOW-WMZHIEFXSA-N 1 1 402.542 4.344 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1C ZINC000463195174 876254128 /nfs/dbraw/zinc/25/41/28/876254128.db2.gz VUCFLCSLHYDWHO-XVFIICMOSA-N 1 1 411.590 4.202 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463420731 876475874 /nfs/dbraw/zinc/47/58/74/876475874.db2.gz WCHJEIJFZWLTPR-ZDUSSCGKSA-N 1 1 404.308 4.032 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463420731 876475883 /nfs/dbraw/zinc/47/58/83/876475883.db2.gz WCHJEIJFZWLTPR-ZDUSSCGKSA-N 1 1 404.308 4.032 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)sc2c1CCCCC2 ZINC000463427097 876481808 /nfs/dbraw/zinc/48/18/08/876481808.db2.gz AMOWOUIXBBQRKK-UHFFFAOYSA-N 1 1 421.566 4.470 20 30 HIEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000463688983 876809205 /nfs/dbraw/zinc/80/92/05/876809205.db2.gz WQGXIOODRGFGLQ-UHFFFAOYSA-N 1 1 413.543 4.132 20 30 HIEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000463688983 876809207 /nfs/dbraw/zinc/80/92/07/876809207.db2.gz WQGXIOODRGFGLQ-UHFFFAOYSA-N 1 1 413.543 4.132 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)CO1 ZINC000464836222 878098061 /nfs/dbraw/zinc/09/80/61/878098061.db2.gz VZLIWCOBUIBHFH-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)CO1 ZINC000464836222 878098077 /nfs/dbraw/zinc/09/80/77/878098077.db2.gz VZLIWCOBUIBHFH-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464839325 878101745 /nfs/dbraw/zinc/10/17/45/878101745.db2.gz PUMJGLVMTCNBRV-MSOLQXFVSA-N 1 1 422.598 4.032 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464982439 878329208 /nfs/dbraw/zinc/32/92/08/878329208.db2.gz ZNNOQLWLSSTEOL-QHCPKHFHSA-N 1 1 405.542 4.088 20 30 HIEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 ZINC000465381427 878822367 /nfs/dbraw/zinc/82/23/67/878822367.db2.gz VTLJOCKUFZRNCG-UHFFFAOYSA-N 1 1 413.481 4.054 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000465711881 879280522 /nfs/dbraw/zinc/28/05/22/879280522.db2.gz HCUOJKUOYVUJTP-IRLDBZIGSA-N 1 1 417.488 4.301 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438206 912448948 /nfs/dbraw/zinc/44/89/48/912448948.db2.gz SUUBWXFICIIYEW-APWZRJJASA-N 1 1 417.962 4.058 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000467132316 880881060 /nfs/dbraw/zinc/88/10/60/880881060.db2.gz TZURKIXBYVBLKM-UHFFFAOYSA-N 1 1 408.550 4.023 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192340 880921531 /nfs/dbraw/zinc/92/15/31/880921531.db2.gz TXKIYRGOPDCIBJ-AZUAARDMSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192340 880921544 /nfs/dbraw/zinc/92/15/44/880921544.db2.gz TXKIYRGOPDCIBJ-AZUAARDMSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000503558231 912630259 /nfs/dbraw/zinc/63/02/59/912630259.db2.gz PCSPGJGGOSFJQE-QHCPKHFHSA-N 1 1 411.509 4.224 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000503581867 912668440 /nfs/dbraw/zinc/66/84/40/912668440.db2.gz SGSCNCQNDUQITH-MRXNPFEDSA-N 1 1 418.522 4.331 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000503581867 912668477 /nfs/dbraw/zinc/66/84/77/912668477.db2.gz SGSCNCQNDUQITH-MRXNPFEDSA-N 1 1 418.522 4.331 20 30 HIEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1=O ZINC000467516066 881330917 /nfs/dbraw/zinc/33/09/17/881330917.db2.gz FCAMBFURMNHHII-QHCPKHFHSA-N 1 1 400.526 4.066 20 30 HIEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1=O ZINC000467516066 881330940 /nfs/dbraw/zinc/33/09/40/881330940.db2.gz FCAMBFURMNHHII-QHCPKHFHSA-N 1 1 400.526 4.066 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208968 883309774 /nfs/dbraw/zinc/30/97/74/883309774.db2.gz CODWLMLHSVDLJH-LAUBAEHRSA-N 1 1 406.511 4.088 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469398957 883562417 /nfs/dbraw/zinc/56/24/17/883562417.db2.gz BGZRGLXPLMUJAC-HXUWFJFHSA-N 1 1 400.526 4.292 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469398957 883562448 /nfs/dbraw/zinc/56/24/48/883562448.db2.gz BGZRGLXPLMUJAC-HXUWFJFHSA-N 1 1 400.526 4.292 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469472252 883699578 /nfs/dbraw/zinc/69/95/78/883699578.db2.gz JHRWSYXHPSDQLA-JKSUJKDBSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469472252 883699588 /nfs/dbraw/zinc/69/95/88/883699588.db2.gz JHRWSYXHPSDQLA-JKSUJKDBSA-N 1 1 401.432 4.229 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000469725896 883888113 /nfs/dbraw/zinc/88/81/13/883888113.db2.gz RAIHYWNJMCWZDI-GGAORHGYSA-N 1 1 422.479 4.398 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000469725896 883888118 /nfs/dbraw/zinc/88/81/18/883888118.db2.gz RAIHYWNJMCWZDI-GGAORHGYSA-N 1 1 422.479 4.398 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992078 884208148 /nfs/dbraw/zinc/20/81/48/884208148.db2.gz OIYGNNFGSRNFHH-MRXNPFEDSA-N 1 1 405.420 4.352 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992078 884208175 /nfs/dbraw/zinc/20/81/75/884208175.db2.gz OIYGNNFGSRNFHH-MRXNPFEDSA-N 1 1 405.420 4.352 20 30 HIEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000470778531 885248917 /nfs/dbraw/zinc/24/89/17/885248917.db2.gz FBMBYHAFAZDIJG-KRWDZBQOSA-N 1 1 406.324 4.153 20 30 HIEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000470778531 885248937 /nfs/dbraw/zinc/24/89/37/885248937.db2.gz FBMBYHAFAZDIJG-KRWDZBQOSA-N 1 1 406.324 4.153 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470910805 885418722 /nfs/dbraw/zinc/41/87/22/885418722.db2.gz LRTCZCCVFWORTG-UGKGYDQZSA-N 1 1 409.505 4.142 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470910805 885418726 /nfs/dbraw/zinc/41/87/26/885418726.db2.gz LRTCZCCVFWORTG-UGKGYDQZSA-N 1 1 409.505 4.142 20 30 HIEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1O ZINC000471149371 885695717 /nfs/dbraw/zinc/69/57/17/885695717.db2.gz UVHPSHDCCVXBAV-UHFFFAOYSA-N 1 1 413.543 4.063 20 30 HIEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816726 /nfs/dbraw/zinc/81/67/26/885816726.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 1 1 407.558 4.308 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816738 /nfs/dbraw/zinc/81/67/38/885816738.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816740 /nfs/dbraw/zinc/81/67/40/885816740.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816748 /nfs/dbraw/zinc/81/67/48/885816748.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 1 1 407.558 4.308 20 30 HIEDMO C[C@@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000471465289 886150754 /nfs/dbraw/zinc/15/07/54/886150754.db2.gz AGDIFTLUTLXGOR-IBGZPJMESA-N 1 1 417.509 4.371 20 30 HIEDMO Cc1ccc(OCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000471666276 886378895 /nfs/dbraw/zinc/37/88/95/886378895.db2.gz VOSVGGQOZICCEY-UHFFFAOYSA-N 1 1 405.542 4.069 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748380 886476978 /nfs/dbraw/zinc/47/69/78/886476978.db2.gz JNNNGSXKMTXFIH-OHUGHZGNSA-N 1 1 414.553 4.035 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000472186010 886986124 /nfs/dbraw/zinc/98/61/24/886986124.db2.gz FHMMXPLFEAPJGS-XMMPIXPASA-N 1 1 407.558 4.065 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000472320582 887154127 /nfs/dbraw/zinc/15/41/27/887154127.db2.gz WYGCBYZEHBGJML-YJBOKZPZSA-N 1 1 420.847 4.380 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000472320582 887154135 /nfs/dbraw/zinc/15/41/35/887154135.db2.gz WYGCBYZEHBGJML-YJBOKZPZSA-N 1 1 420.847 4.380 20 30 HIEDMO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472479804 887342397 /nfs/dbraw/zinc/34/23/97/887342397.db2.gz QDWAGGFLFYDNBL-JOCHJYFZSA-N 1 1 414.553 4.334 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000472576076 887459827 /nfs/dbraw/zinc/45/98/27/887459827.db2.gz ZHGJJWWYHVWWIH-LJQANCHMSA-N 1 1 401.476 4.455 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000472576076 887459839 /nfs/dbraw/zinc/45/98/39/887459839.db2.gz ZHGJJWWYHVWWIH-LJQANCHMSA-N 1 1 401.476 4.455 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473619049 888358450 /nfs/dbraw/zinc/35/84/50/888358450.db2.gz BWUCGPPHCKEMFY-VWLOTQADSA-N 1 1 418.541 4.477 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474148064 888976127 /nfs/dbraw/zinc/97/61/27/888976127.db2.gz UUVXHCKUXLPMOL-UWJYYQICSA-N 1 1 411.908 4.192 20 30 HIEDMO N#C[C@@]1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCc2ccccc2C1 ZINC000474651365 889515263 /nfs/dbraw/zinc/51/52/63/889515263.db2.gz MYTLXRCAKRDMGL-CJFMBICVSA-N 1 1 402.542 4.061 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000474913283 889774079 /nfs/dbraw/zinc/77/40/79/889774079.db2.gz XYWABGRKGDIVMH-RTBURBONSA-N 1 1 405.542 4.027 20 30 HIEDMO COc1c(Br)cccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000475433246 890353126 /nfs/dbraw/zinc/35/31/26/890353126.db2.gz XCAMEISWVITUFG-UHFFFAOYSA-N 1 1 401.304 4.373 20 30 HIEDMO CC(C)(C#N)c1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC000475443774 890362488 /nfs/dbraw/zinc/36/24/88/890362488.db2.gz LYOFEZBDEZFMGV-UHFFFAOYSA-N 1 1 416.525 4.027 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNC(=O)C[C@@H](CC#N)c3ccccc3)CC2)cs1 ZINC000475928314 890853446 /nfs/dbraw/zinc/85/34/46/890853446.db2.gz VVQNWYUOBCSKCO-HXUWFJFHSA-N 1 1 410.587 4.121 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000476266445 891187558 /nfs/dbraw/zinc/18/75/58/891187558.db2.gz WYFXJYWDCHOJIC-JOCHJYFZSA-N 1 1 421.541 4.048 20 30 HIEDMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)NCc1ccc(F)cc1C(F)(F)F ZINC000476569727 891489126 /nfs/dbraw/zinc/48/91/26/891489126.db2.gz JBDXSSPUWKVFRQ-UHFFFAOYSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)NCc1ccc(F)cc1C(F)(F)F ZINC000476569727 891489137 /nfs/dbraw/zinc/48/91/37/891489137.db2.gz JBDXSSPUWKVFRQ-UHFFFAOYSA-N 1 1 400.338 4.125 20 30 HIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994576 891922006 /nfs/dbraw/zinc/92/20/06/891922006.db2.gz KNLAIZMWAALBHY-IRXDYDNUSA-N 1 1 421.932 4.460 20 30 HIEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477302736 892263721 /nfs/dbraw/zinc/26/37/21/892263721.db2.gz CAYXMHBLRCIFHG-HXUWFJFHSA-N 1 1 400.444 4.085 20 30 HIEDMO C=C(C)[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2)c1ccc(F)c(F)c1 ZINC000477640221 892762963 /nfs/dbraw/zinc/76/29/63/892762963.db2.gz UBQOXEHWFVAIAP-NRFANRHFSA-N 1 1 413.468 4.063 20 30 HIEDMO C=C(C)[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2)c1ccc(F)c(F)c1 ZINC000477640221 892762978 /nfs/dbraw/zinc/76/29/78/892762978.db2.gz UBQOXEHWFVAIAP-NRFANRHFSA-N 1 1 413.468 4.063 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000477767487 892854517 /nfs/dbraw/zinc/85/45/17/892854517.db2.gz RSFVQUJPMABAAQ-IBGZPJMESA-N 1 1 406.461 4.396 20 30 HIEDMO N#CC1(NC(=O)c2cnc(-c3ccccc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479237130 894500249 /nfs/dbraw/zinc/50/02/49/894500249.db2.gz CPXAKUPGJQQSIA-UHFFFAOYSA-N 1 1 402.523 4.098 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2NCCC[N@H+]2CCCO[C@H](C)C2)c1Br ZINC000479310128 894597683 /nfs/dbraw/zinc/59/76/83/894597683.db2.gz DSWMHMHMRSZZFQ-OAHLLOKOSA-N 1 1 417.351 4.090 20 30 HIEDMO Cc1ccc(OCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000479890191 895237798 /nfs/dbraw/zinc/23/77/98/895237798.db2.gz XCFODBSJYDVDKZ-UHFFFAOYSA-N 1 1 405.542 4.069 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1C#N ZINC000480077860 895430069 /nfs/dbraw/zinc/43/00/69/895430069.db2.gz OVBKWJAZINZIIA-HXUWFJFHSA-N 1 1 402.498 4.046 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1C#N ZINC000480077860 895430076 /nfs/dbraw/zinc/43/00/76/895430076.db2.gz OVBKWJAZINZIIA-HXUWFJFHSA-N 1 1 402.498 4.046 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 ZINC000480653260 896021068 /nfs/dbraw/zinc/02/10/68/896021068.db2.gz YZXHBPRYORSNNW-UHFFFAOYSA-N 1 1 408.449 4.047 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 ZINC000480653260 896021075 /nfs/dbraw/zinc/02/10/75/896021075.db2.gz YZXHBPRYORSNNW-UHFFFAOYSA-N 1 1 408.449 4.047 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Br)c1 ZINC000480732238 896094037 /nfs/dbraw/zinc/09/40/37/896094037.db2.gz LIZWQBAYCPEAER-KRWDZBQOSA-N 1 1 414.351 4.018 20 30 HIEDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000481099873 896421410 /nfs/dbraw/zinc/42/14/10/896421410.db2.gz CXPALPJVSBDVBT-UHFFFAOYSA-N 1 1 413.315 4.028 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3(c4ccccc4Cl)CC3)CC2)cc1 ZINC000481355171 896729402 /nfs/dbraw/zinc/72/94/02/896729402.db2.gz PIIGGTVVUNIQFZ-UHFFFAOYSA-N 1 1 422.960 4.161 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000481588695 896967885 /nfs/dbraw/zinc/96/78/85/896967885.db2.gz WAPQXZKHVLQHHG-XMMPIXPASA-N 1 1 424.495 4.291 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000481595520 896975364 /nfs/dbraw/zinc/97/53/64/896975364.db2.gz HIAMNMWNSWXAOU-OYHNWAKOSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1COC(C)C)c1ccc(F)c(F)c1 ZINC000481600837 896981268 /nfs/dbraw/zinc/98/12/68/896981268.db2.gz RYKGPOBSMRCJDH-HSZRJFAPSA-N 1 1 402.485 4.413 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1C ZINC000481714793 897106349 /nfs/dbraw/zinc/10/63/49/897106349.db2.gz HIHPUNZREHHSHE-RUZDIDTESA-N 1 1 403.526 4.072 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1C ZINC000481714793 897106353 /nfs/dbraw/zinc/10/63/53/897106353.db2.gz HIHPUNZREHHSHE-RUZDIDTESA-N 1 1 403.526 4.072 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](CCc4ccccc4)CC3)c2)cc1 ZINC000481948669 897337820 /nfs/dbraw/zinc/33/78/20/897337820.db2.gz VZYIQPFOXYUPSW-UHFFFAOYSA-N 1 1 411.505 4.351 20 30 HIEDMO N#CCC[N@@H+](CCOc1c(Br)cccc1Br)CC1CC1 ZINC000482774763 898383660 /nfs/dbraw/zinc/38/36/60/898383660.db2.gz TWAZTDZUURQFMM-UHFFFAOYSA-N 1 1 402.130 4.216 20 30 HIEDMO N#CCC[N@H+](CCOc1c(Br)cccc1Br)CC1CC1 ZINC000482774763 898383672 /nfs/dbraw/zinc/38/36/72/898383672.db2.gz TWAZTDZUURQFMM-UHFFFAOYSA-N 1 1 402.130 4.216 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482981867 898619354 /nfs/dbraw/zinc/61/93/54/898619354.db2.gz LLMNYYZOSOJLEL-ZIAGYGMSSA-N 1 1 408.365 4.160 20 30 HIEDMO N#Cc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1F ZINC000483244462 898886879 /nfs/dbraw/zinc/88/68/79/898886879.db2.gz ZHZOIRWXAKXSDH-MRXNPFEDSA-N 1 1 417.200 4.302 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483356770 898993938 /nfs/dbraw/zinc/99/39/38/898993938.db2.gz KCWTYNIWAUCLKH-XUZZJYLKSA-N 1 1 418.541 4.394 20 30 HIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624986 899278439 /nfs/dbraw/zinc/27/84/39/899278439.db2.gz OGZPNSFJMVFDCC-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624986 899278457 /nfs/dbraw/zinc/27/84/57/899278457.db2.gz OGZPNSFJMVFDCC-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000505671234 914367799 /nfs/dbraw/zinc/36/77/99/914367799.db2.gz MLUTXOYKTIFEJV-UHFFFAOYSA-N 1 1 424.548 4.153 20 30 HIEDMO COC(=O)CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000484328768 899882867 /nfs/dbraw/zinc/88/28/67/899882867.db2.gz YZFXJZIZCMZKRB-UHFFFAOYSA-N 1 1 401.304 4.080 20 30 HIEDMO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162924 900461383 /nfs/dbraw/zinc/46/13/83/900461383.db2.gz SQADNZDRFUNOJM-FUHWJXTLSA-N 1 1 401.470 4.337 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485306402 900584781 /nfs/dbraw/zinc/58/47/81/900584781.db2.gz RECGSRSEDPTCLK-NZQKXSOJSA-N 1 1 422.960 4.137 20 30 HIEDMO COc1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccccc1 ZINC000485316912 900596554 /nfs/dbraw/zinc/59/65/54/900596554.db2.gz QVHWXXXJEZPGSK-UHFFFAOYSA-N 1 1 421.541 4.049 20 30 HIEDMO COc1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccccc1 ZINC000485316912 900596564 /nfs/dbraw/zinc/59/65/64/900596564.db2.gz QVHWXXXJEZPGSK-UHFFFAOYSA-N 1 1 421.541 4.049 20 30 HIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000485771170 901027448 /nfs/dbraw/zinc/02/74/48/901027448.db2.gz PWCPNZIQFJUCQC-FFZOFVMBSA-N 1 1 403.592 4.402 20 30 HIEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486279468 901463406 /nfs/dbraw/zinc/46/34/06/901463406.db2.gz BJFLIOVCDYOMBH-KRWDZBQOSA-N 1 1 419.554 4.146 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907395 914548794 /nfs/dbraw/zinc/54/87/94/914548794.db2.gz SFFPJIPJRQOELB-FPOVZHCZSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929412 914580938 /nfs/dbraw/zinc/58/09/38/914580938.db2.gz CTUDEIYBVYPEQF-UXHICEINSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937327 902467094 /nfs/dbraw/zinc/46/70/94/902467094.db2.gz XJDZCQKZXSCALT-HZPDHXFCSA-N 1 1 419.367 4.439 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487965065 902490037 /nfs/dbraw/zinc/49/00/37/902490037.db2.gz DEWKCNUJAPMQMF-UKRRQHHQSA-N 1 1 405.340 4.095 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487990900 902513919 /nfs/dbraw/zinc/51/39/19/902513919.db2.gz IAGQCKNFJDTIBD-UHFFFAOYSA-N 1 1 407.356 4.297 20 30 HIEDMO CC(C)(C)C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488017300 902536979 /nfs/dbraw/zinc/53/69/79/902536979.db2.gz XYSCLYYMXQMHAC-GOSISDBHSA-N 1 1 410.484 4.143 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982194 914645131 /nfs/dbraw/zinc/64/51/31/914645131.db2.gz QHMCSLIUNWJKHG-UYAOXDASSA-N 1 1 401.432 4.298 20 30 HIEDMO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475097 902844311 /nfs/dbraw/zinc/84/43/11/902844311.db2.gz ZIKIISKNFRBNLJ-OALUTQOASA-N 1 1 400.309 4.243 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488624712 902904572 /nfs/dbraw/zinc/90/45/72/902904572.db2.gz IOSJMBZXVVRVJY-BPUWIUIQSA-N 1 1 416.569 4.378 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)ccc1Cl ZINC000506037657 914725827 /nfs/dbraw/zinc/72/58/27/914725827.db2.gz UVHDWVBUNQGQIV-UHFFFAOYSA-N 1 1 420.344 4.082 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506048550 914743453 /nfs/dbraw/zinc/74/34/53/914743453.db2.gz ZXCZHDQNBVRRJP-HNNXBMFYSA-N 1 1 417.966 4.064 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490354394 903947225 /nfs/dbraw/zinc/94/72/25/903947225.db2.gz LMXQBBWUCSZGIR-HXUWFJFHSA-N 1 1 402.473 4.193 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831652 904705603 /nfs/dbraw/zinc/70/56/03/904705603.db2.gz JWSMRMJWSVLZHO-AWEZNQCLSA-N 1 1 413.241 4.373 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831652 904705617 /nfs/dbraw/zinc/70/56/17/904705617.db2.gz JWSMRMJWSVLZHO-AWEZNQCLSA-N 1 1 413.241 4.373 20 30 HIEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123065 904802576 /nfs/dbraw/zinc/80/25/76/904802576.db2.gz VBBDQWZBGYJCRK-NQIIRXRSSA-N 1 1 424.932 4.349 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515554 904861514 /nfs/dbraw/zinc/86/15/14/904861514.db2.gz OCEADBZZUVQBHB-FOIQADDNSA-N 1 1 419.447 4.154 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000492604459 904875857 /nfs/dbraw/zinc/87/58/57/904875857.db2.gz FKFORMARCJDHKV-UHFFFAOYSA-N 1 1 413.241 4.373 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000492694532 904889717 /nfs/dbraw/zinc/88/97/17/904889717.db2.gz FANQVYASMMMLAX-UHFFFAOYSA-N 1 1 424.302 4.145 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000492696742 904889973 /nfs/dbraw/zinc/88/99/73/904889973.db2.gz OXRDTIYTDZPCST-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731567 904896431 /nfs/dbraw/zinc/89/64/31/904896431.db2.gz WVENMIZLMDYGHE-LAUBAEHRSA-N 1 1 418.472 4.214 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261231 914869502 /nfs/dbraw/zinc/86/95/02/914869502.db2.gz FDOJOIGUPQKGJH-HXUWFJFHSA-N 1 1 407.514 4.228 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924343 905276513 /nfs/dbraw/zinc/27/65/13/905276513.db2.gz CLNQPXKALVIADU-UYAOXDASSA-N 1 1 406.530 4.378 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c1C#N ZINC000494104185 905435852 /nfs/dbraw/zinc/43/58/52/905435852.db2.gz CDECHYYBVMDFKW-UHFFFAOYSA-N 1 1 415.497 4.170 20 30 HIEDMO COc1cc(C[N@@H+](CCO)Cc2cccc(F)c2)ccc1OCc1cccc(C#N)c1 ZINC000494234126 905561929 /nfs/dbraw/zinc/56/19/29/905561929.db2.gz NKGHZPDLLICVBH-UHFFFAOYSA-N 1 1 420.484 4.279 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750229 905951128 /nfs/dbraw/zinc/95/11/28/905951128.db2.gz BNGYOZFFLWQZQT-LJQANCHMSA-N 1 1 412.578 4.011 20 30 HIEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495051480 906205273 /nfs/dbraw/zinc/20/52/73/906205273.db2.gz VXWBKMDVEXZPDW-OALUTQOASA-N 1 1 412.578 4.011 20 30 HIEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495051482 906205521 /nfs/dbraw/zinc/20/55/21/906205521.db2.gz VXWBKMDVEXZPDW-RBUKOAKNSA-N 1 1 412.578 4.011 20 30 HIEDMO C=CCNC(=O)c1ccc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000495372839 906411055 /nfs/dbraw/zinc/41/10/55/906411055.db2.gz BJZQNHSJEOZCQG-UHFFFAOYSA-N 1 1 419.356 4.381 20 30 HIEDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000495546933 906500576 /nfs/dbraw/zinc/50/05/76/906500576.db2.gz KDQBSGDWECOZLO-INIZCTEOSA-N 1 1 410.587 4.067 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000512656339 921276883 /nfs/dbraw/zinc/27/68/83/921276883.db2.gz ZDYMHMKAKAYCQX-DJJJIMSYSA-N 1 1 403.404 4.145 20 30 HIEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806201 921315146 /nfs/dbraw/zinc/31/51/46/921315146.db2.gz RXSQYKWFGUXZLX-MRXNPFEDSA-N 1 1 418.472 4.116 20 30 HIEDMO CCC[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000497929798 907396212 /nfs/dbraw/zinc/39/62/12/907396212.db2.gz HTEQBOZKPKWURH-LJQANCHMSA-N 1 1 416.447 4.099 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498013143 907505081 /nfs/dbraw/zinc/50/50/81/907505081.db2.gz DSRQBDOPCBPKRH-LAUBAEHRSA-N 1 1 417.575 4.004 20 30 HIEDMO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000498660122 908095661 /nfs/dbraw/zinc/09/56/61/908095661.db2.gz SSOZMLMVVHGZJE-HNNXBMFYSA-N 1 1 409.555 4.324 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703822 908129365 /nfs/dbraw/zinc/12/93/65/908129365.db2.gz LQXGVMNXGGJHHW-RDPSFJRHSA-N 1 1 402.542 4.166 20 30 HIEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000499233127 908594294 /nfs/dbraw/zinc/59/42/94/908594294.db2.gz FJUQDDFXLZIFKG-UHFFFAOYSA-N 1 1 400.567 4.090 20 30 HIEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000512936256 921425372 /nfs/dbraw/zinc/42/53/72/921425372.db2.gz TVAILNZAWGUDKQ-MRXNPFEDSA-N 1 1 400.498 4.051 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000512936256 921425386 /nfs/dbraw/zinc/42/53/86/921425386.db2.gz TVAILNZAWGUDKQ-MRXNPFEDSA-N 1 1 400.498 4.051 20 30 HIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000499539618 908833470 /nfs/dbraw/zinc/83/34/70/908833470.db2.gz SQIRLZOHITXRMO-UHFFFAOYSA-N 1 1 413.610 4.300 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000499562868 908842033 /nfs/dbraw/zinc/84/20/33/908842033.db2.gz PNTKPKXBXXZAPG-IRXDYDNUSA-N 1 1 410.493 4.223 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000500625835 909976698 /nfs/dbraw/zinc/97/66/98/909976698.db2.gz WCPKPBHFRYJDEM-UEXGIBASSA-N 1 1 421.589 4.177 20 30 HIEDMO C[NH+](C)Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1Cl ZINC000500748298 910058965 /nfs/dbraw/zinc/05/89/65/910058965.db2.gz NRKZGIIESRMUGT-UHFFFAOYSA-N 1 1 407.905 4.431 20 30 HIEDMO C=CCc1cc(C[N@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc(OC)c1O ZINC000513111967 921559239 /nfs/dbraw/zinc/55/92/39/921559239.db2.gz QCMIEHIOMJNAGP-UHFFFAOYSA-N 1 1 411.542 4.444 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000513113587 921560889 /nfs/dbraw/zinc/56/08/89/921560889.db2.gz POXQRAVSVLKFJT-UHFFFAOYSA-N 1 1 402.542 4.414 20 30 HIEDMO CCCn1nccc1C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000501579738 910686986 /nfs/dbraw/zinc/68/69/86/910686986.db2.gz NUELXSZDWHUIEO-UHFFFAOYSA-N 1 1 403.530 4.224 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000501887875 910906944 /nfs/dbraw/zinc/90/69/44/910906944.db2.gz KEAUFACYNMNUMU-UHFFFAOYSA-N 1 1 403.482 4.112 20 30 HIEDMO C=CCn1c(SCCn2cc[nH+]c2C)nnc1-c1ccc(Br)cc1 ZINC000502121597 911048932 /nfs/dbraw/zinc/04/89/32/911048932.db2.gz RGBPRXPMARYFGA-UHFFFAOYSA-N 1 1 404.337 4.191 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000502152952 911076163 /nfs/dbraw/zinc/07/61/63/911076163.db2.gz CYEKWWGJBTUWHW-UHFFFAOYSA-N 1 1 404.445 4.203 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000502178729 911103351 /nfs/dbraw/zinc/10/33/51/911103351.db2.gz SMUNCDOKZLLDEP-UHFFFAOYSA-N 1 1 421.888 4.112 20 30 HIEDMO C[C@H](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000502178617 911104944 /nfs/dbraw/zinc/10/49/44/911104944.db2.gz QMUHDWMZVNKSJX-HXUWFJFHSA-N 1 1 402.542 4.268 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190257 911127383 /nfs/dbraw/zinc/12/73/83/911127383.db2.gz UKFFEVBXILHGBA-NBGIEHNGSA-N 1 1 414.553 4.268 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513258155 921662486 /nfs/dbraw/zinc/66/24/86/921662486.db2.gz VFFREVBQGRCKTG-HTAPYJJXSA-N 1 1 408.546 4.035 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 ZINC000502528611 911532717 /nfs/dbraw/zinc/53/27/17/911532717.db2.gz LJMAMABCLNQXSZ-UHFFFAOYSA-N 1 1 415.518 4.009 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 ZINC000502528611 911532732 /nfs/dbraw/zinc/53/27/32/911532732.db2.gz LJMAMABCLNQXSZ-UHFFFAOYSA-N 1 1 415.518 4.009 20 30 HIEDMO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000502631058 911659542 /nfs/dbraw/zinc/65/95/42/911659542.db2.gz AGQBGZIXILPQFA-PBHICJAKSA-N 1 1 401.532 4.176 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742854 911767474 /nfs/dbraw/zinc/76/74/74/911767474.db2.gz AYEOZDHRRZIRAX-NZQKXSOJSA-N 1 1 420.488 4.054 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742854 911767481 /nfs/dbraw/zinc/76/74/81/911767481.db2.gz AYEOZDHRRZIRAX-NZQKXSOJSA-N 1 1 420.488 4.054 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000502877982 911879978 /nfs/dbraw/zinc/87/99/78/911879978.db2.gz TVURGOQCSCNBOW-HNNXBMFYSA-N 1 1 412.456 4.133 20 30 HIEDMO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309389 914899194 /nfs/dbraw/zinc/89/91/94/914899194.db2.gz SXYAVKFAFNUJTR-AHWVRZQESA-N 1 1 400.522 4.466 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939640 915744108 /nfs/dbraw/zinc/74/41/08/915744108.db2.gz JOAVPJCOBRTKDH-VQTJNVASSA-N 1 1 414.619 4.087 20 30 HIEDMO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000507327704 916086784 /nfs/dbraw/zinc/08/67/84/916086784.db2.gz DAKLFWWGBGXWGQ-NBVRZTHBSA-N 1 1 418.497 4.178 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000507622547 916381344 /nfs/dbraw/zinc/38/13/44/916381344.db2.gz UDFMSVRLHKNCKN-UHFFFAOYSA-N 1 1 407.905 4.105 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507637397 916395524 /nfs/dbraw/zinc/39/55/24/916395524.db2.gz PTWWFNQXAVFXPP-HXUWFJFHSA-N 1 1 415.541 4.276 20 30 HIEDMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802556 916587212 /nfs/dbraw/zinc/58/72/12/916587212.db2.gz CHANKZSQMDEMHS-HSZRJFAPSA-N 1 1 421.541 4.068 20 30 HIEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000507835068 916639809 /nfs/dbraw/zinc/63/98/09/916639809.db2.gz WVFAXZORWQFOSE-UHFFFAOYSA-N 1 1 405.420 4.305 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000508175395 916996644 /nfs/dbraw/zinc/99/66/44/916996644.db2.gz WCRZRSUCCANBLV-UHFFFAOYSA-N 1 1 420.557 4.151 20 30 HIEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508474961 917259236 /nfs/dbraw/zinc/25/92/36/917259236.db2.gz WYOFJLXQQGDKBQ-IRLDBZIGSA-N 1 1 403.530 4.215 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508480828 917264798 /nfs/dbraw/zinc/26/47/98/917264798.db2.gz KPZUMETVVJMKLG-TZIWHRDSSA-N 1 1 411.569 4.285 20 30 HIEDMO COCC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccc(C#N)cc1 ZINC000508526250 917308639 /nfs/dbraw/zinc/30/86/39/917308639.db2.gz BKZOQOPGWANSHZ-UHFFFAOYSA-N 1 1 423.520 4.455 20 30 HIEDMO COCC[N@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1C)Cc1ccc(C#N)cc1 ZINC000508526726 917310518 /nfs/dbraw/zinc/31/05/18/917310518.db2.gz DNZBAFFSLPXZFT-UHFFFAOYSA-N 1 1 402.542 4.377 20 30 HIEDMO COCC[N@@H+](Cc1c(C)nn(Cc2ccc(C)cc2)c1C)Cc1ccc(C#N)cc1 ZINC000508526726 917310536 /nfs/dbraw/zinc/31/05/36/917310536.db2.gz DNZBAFFSLPXZFT-UHFFFAOYSA-N 1 1 402.542 4.377 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508571235 917345253 /nfs/dbraw/zinc/34/52/53/917345253.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 1 1 411.384 4.186 20 30 HIEDMO Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1NC(=O)C[NH+]1CCCCC1 ZINC000508721096 917483002 /nfs/dbraw/zinc/48/30/02/917483002.db2.gz UNFKSDMPAADFTQ-UHFFFAOYSA-N 1 1 410.905 4.197 20 30 HIEDMO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508746168 917503765 /nfs/dbraw/zinc/50/37/65/917503765.db2.gz JYBCYJYFVLVZQA-SFTDATJTSA-N 1 1 411.594 4.389 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000508790217 917545470 /nfs/dbraw/zinc/54/54/70/917545470.db2.gz JMWLMKPDYGCJLC-KRWDZBQOSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508846934 917599665 /nfs/dbraw/zinc/59/96/65/917599665.db2.gz SKLVOAKBYAOJBX-UHFFFAOYSA-N 1 1 418.570 4.007 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508850912 917604516 /nfs/dbraw/zinc/60/45/16/917604516.db2.gz WXZBZGRALQFEED-PZJWPPBQSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508896946 917653003 /nfs/dbraw/zinc/65/30/03/917653003.db2.gz VLFBGDFGCKCJAQ-OAQYLSRUSA-N 1 1 405.546 4.299 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508936648 917693394 /nfs/dbraw/zinc/69/33/94/917693394.db2.gz SLMLNAOAPRVTTQ-FOIQADDNSA-N 1 1 415.944 4.377 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000508994721 917748824 /nfs/dbraw/zinc/74/88/24/917748824.db2.gz IODPHUGQWMTGDT-UHFFFAOYSA-N 1 1 410.610 4.419 20 30 HIEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000509069658 917815367 /nfs/dbraw/zinc/81/53/67/917815367.db2.gz LGQNXBHPTFZMOT-QFBILLFUSA-N 1 1 424.408 4.362 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000509069658 917815375 /nfs/dbraw/zinc/81/53/75/917815375.db2.gz LGQNXBHPTFZMOT-QFBILLFUSA-N 1 1 424.408 4.362 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]1c1cnn(C)c1 ZINC000509633298 918276280 /nfs/dbraw/zinc/27/62/80/918276280.db2.gz LGHWKVQAGIQYQF-SIKLNZKXSA-N 1 1 420.605 4.210 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510415510 918883688 /nfs/dbraw/zinc/88/36/88/918883688.db2.gz MGKFURXYGITVCH-HKUYNNGSSA-N 1 1 419.554 4.174 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510415510 918883694 /nfs/dbraw/zinc/88/36/94/918883694.db2.gz MGKFURXYGITVCH-HKUYNNGSSA-N 1 1 419.554 4.174 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000510887888 919384413 /nfs/dbraw/zinc/38/44/13/919384413.db2.gz RWEQVTVYZZYCNW-QHCPKHFHSA-N 1 1 422.529 4.137 20 30 HIEDMO COc1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000511091564 919695576 /nfs/dbraw/zinc/69/55/76/919695576.db2.gz MHCDDXOKEYEGLK-UHFFFAOYSA-N 1 1 414.509 4.169 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511137328 919754153 /nfs/dbraw/zinc/75/41/53/919754153.db2.gz LSNLFGFVRIBABS-KRWDZBQOSA-N 1 1 419.447 4.395 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511137328 919754171 /nfs/dbraw/zinc/75/41/71/919754171.db2.gz LSNLFGFVRIBABS-KRWDZBQOSA-N 1 1 419.447 4.395 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1OC ZINC000511477216 920086025 /nfs/dbraw/zinc/08/60/25/920086025.db2.gz KPGLRKXKCFPJID-UHFFFAOYSA-N 1 1 406.324 4.125 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000511767354 920453691 /nfs/dbraw/zinc/45/36/91/920453691.db2.gz DBHMXKMZRIZULE-QFIPXVFZSA-N 1 1 407.583 4.208 20 30 HIEDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019600 920794527 /nfs/dbraw/zinc/79/45/27/920794527.db2.gz IABXTCURSOWTSV-YWZLYKJASA-N 1 1 416.447 4.212 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000512340553 921085946 /nfs/dbraw/zinc/08/59/46/921085946.db2.gz KXJLESYNNRKCDR-LAUBAEHRSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000512340553 921085956 /nfs/dbraw/zinc/08/59/56/921085956.db2.gz KXJLESYNNRKCDR-LAUBAEHRSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513541733 921880995 /nfs/dbraw/zinc/88/09/95/921880995.db2.gz VFKYBMUWSBHIQC-HXUWFJFHSA-N 1 1 405.542 4.379 20 30 HIEDMO CC(C)(C)O[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513757384 922075528 /nfs/dbraw/zinc/07/55/28/922075528.db2.gz MTLWHBJXHBSZIV-HSZRJFAPSA-N 1 1 405.542 4.149 20 30 HIEDMO CC(C)(C)O[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513757384 922075544 /nfs/dbraw/zinc/07/55/44/922075544.db2.gz MTLWHBJXHBSZIV-HSZRJFAPSA-N 1 1 405.542 4.149 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000513867250 922196053 /nfs/dbraw/zinc/19/60/53/922196053.db2.gz DFUXHBOLFYYPHW-UHFFFAOYSA-N 1 1 415.497 4.308 20 30 HIEDMO COc1cc(Cl)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000514885821 922832226 /nfs/dbraw/zinc/83/22/26/922832226.db2.gz BKMMFTPUJOWLGQ-UHFFFAOYSA-N 1 1 412.921 4.269 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000515961915 923463096 /nfs/dbraw/zinc/46/30/96/923463096.db2.gz RVSOPUVXMJEIPB-SFHVURJKSA-N 1 1 411.571 4.133 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000517133500 924018983 /nfs/dbraw/zinc/01/89/83/924018983.db2.gz IWEZVIWRQHSLTN-IRXDYDNUSA-N 1 1 411.933 4.321 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000519201275 927824623 /nfs/dbraw/zinc/82/46/23/927824623.db2.gz FOHBNYXJSJQETB-HXUWFJFHSA-N 1 1 411.468 4.384 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000519201275 927824633 /nfs/dbraw/zinc/82/46/33/927824633.db2.gz FOHBNYXJSJQETB-HXUWFJFHSA-N 1 1 411.468 4.384 20 30 HIEDMO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000520173783 928364724 /nfs/dbraw/zinc/36/47/24/928364724.db2.gz BHYAFVNXCUGXBJ-VWLOTQADSA-N 1 1 405.542 4.292 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000521121436 929006708 /nfs/dbraw/zinc/00/67/08/929006708.db2.gz IZBFSJBBZWVNLM-NQIIRXRSSA-N 1 1 408.502 4.128 20 30 HIEDMO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000521517522 929270627 /nfs/dbraw/zinc/27/06/27/929270627.db2.gz KZBBFFHZMNAFOV-LJQANCHMSA-N 1 1 423.605 4.118 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000521873082 929522861 /nfs/dbraw/zinc/52/28/61/929522861.db2.gz CVABQKAUVQIMLL-QHCPKHFHSA-N 1 1 417.553 4.352 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+](C)C ZINC000524565482 929691751 /nfs/dbraw/zinc/69/17/51/929691751.db2.gz VOYVFPKGDYZFAH-QFBILLFUSA-N 1 1 412.559 4.371 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000524868242 929865074 /nfs/dbraw/zinc/86/50/74/929865074.db2.gz JXKMZDRCTFUJCR-LJQANCHMSA-N 1 1 408.542 4.169 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000525039105 929994716 /nfs/dbraw/zinc/99/47/16/929994716.db2.gz FOHQIALLRJJMHP-CVDCTZTESA-N 1 1 411.571 4.368 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000525761336 930435348 /nfs/dbraw/zinc/43/53/48/930435348.db2.gz XNTKSMWCRBSYDU-OAQYLSRUSA-N 1 1 404.558 4.097 20 30 HIEDMO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000525858724 930469473 /nfs/dbraw/zinc/46/94/73/930469473.db2.gz YAEOQRGNUBKNJS-HLBVYFGSSA-N 1 1 404.558 4.143 20 30 HIEDMO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000527128004 930598360 /nfs/dbraw/zinc/59/83/60/930598360.db2.gz QFYJEUSYKLQRBR-UHFFFAOYSA-N 1 1 405.420 4.350 20 30 HIEDMO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000527128004 930598367 /nfs/dbraw/zinc/59/83/67/930598367.db2.gz QFYJEUSYKLQRBR-UHFFFAOYSA-N 1 1 405.420 4.350 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531389085 931040738 /nfs/dbraw/zinc/04/07/38/931040738.db2.gz IMLIZDHRBAUSCC-UHFFFAOYSA-N 1 1 415.459 4.243 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000531673680 931145883 /nfs/dbraw/zinc/14/58/83/931145883.db2.gz RKVJLZJKTXEQSJ-FCHUYYIVSA-N 1 1 420.513 4.115 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000532475294 931453352 /nfs/dbraw/zinc/45/33/52/931453352.db2.gz CASCOLZEBPPJSM-UHFFFAOYSA-N 1 1 404.283 4.311 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000532475294 931453356 /nfs/dbraw/zinc/45/33/56/931453356.db2.gz CASCOLZEBPPJSM-UHFFFAOYSA-N 1 1 404.283 4.311 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000532590538 931547744 /nfs/dbraw/zinc/54/77/44/931547744.db2.gz NQNGICFPERMLGM-ISKFKSNPSA-N 1 1 415.537 4.226 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000532700707 931594941 /nfs/dbraw/zinc/59/49/41/931594941.db2.gz ZBSLNTNAHXTRDV-ZVDOUQERSA-N 1 1 416.997 4.232 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949828 931708443 /nfs/dbraw/zinc/70/84/43/931708443.db2.gz XHLIDPCDQNLQKK-KRWDZBQOSA-N 1 1 416.635 4.268 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970310 931720444 /nfs/dbraw/zinc/72/04/44/931720444.db2.gz GRIDPWUTTIWQDK-ZYOFANERSA-N 1 1 415.603 4.402 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727872 /nfs/dbraw/zinc/72/78/72/931727872.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727895 /nfs/dbraw/zinc/72/78/95/931727895.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727900 /nfs/dbraw/zinc/72/79/00/931727900.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 1 1 407.558 4.450 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728291 /nfs/dbraw/zinc/72/82/91/931728291.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728306 /nfs/dbraw/zinc/72/83/06/931728306.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728312 /nfs/dbraw/zinc/72/83/12/931728312.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 1 1 407.558 4.450 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1c(C)cccc1C ZINC000533067718 931761603 /nfs/dbraw/zinc/76/16/03/931761603.db2.gz WWCJALUYHPQIAX-UHFFFAOYSA-N 1 1 412.921 4.118 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533283774 931827664 /nfs/dbraw/zinc/82/76/64/931827664.db2.gz MYQKBCHXVHZHHB-SFHVURJKSA-N 1 1 412.497 4.003 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533283774 931827665 /nfs/dbraw/zinc/82/76/65/931827665.db2.gz MYQKBCHXVHZHHB-SFHVURJKSA-N 1 1 412.497 4.003 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)co2)cc1 ZINC000533332144 931840455 /nfs/dbraw/zinc/84/04/55/931840455.db2.gz BDYAYPWINWOUSH-UHFFFAOYSA-N 1 1 402.498 4.324 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)co2)cc1 ZINC000533332144 931840459 /nfs/dbraw/zinc/84/04/59/931840459.db2.gz BDYAYPWINWOUSH-UHFFFAOYSA-N 1 1 402.498 4.324 20 30 HIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400304 931858657 /nfs/dbraw/zinc/85/86/57/931858657.db2.gz NRIVPAWCKPTIOQ-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400304 931858660 /nfs/dbraw/zinc/85/86/60/931858660.db2.gz NRIVPAWCKPTIOQ-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424018 931863355 /nfs/dbraw/zinc/86/33/55/931863355.db2.gz HKHDPNBPINBFRN-UWJYYQICSA-N 1 1 409.555 4.215 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3CCC(F)(F)F)CC2)cc1 ZINC000534649760 932621223 /nfs/dbraw/zinc/62/12/23/932621223.db2.gz XJCJNOSPDIJGTQ-UHFFFAOYSA-N 1 1 415.459 4.401 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3CCC(F)(F)F)CC2)cc1 ZINC000534649760 932621233 /nfs/dbraw/zinc/62/12/33/932621233.db2.gz XJCJNOSPDIJGTQ-UHFFFAOYSA-N 1 1 415.459 4.401 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000534691682 932662326 /nfs/dbraw/zinc/66/23/26/932662326.db2.gz PTYDLIPFNUSEPY-SFHVURJKSA-N 1 1 423.523 4.191 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753515 932729524 /nfs/dbraw/zinc/72/95/24/932729524.db2.gz KWAHKNWNKBMYJC-JWQCQUIFSA-N 1 1 411.505 4.312 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757092 932734306 /nfs/dbraw/zinc/73/43/06/932734306.db2.gz UDYZEZACAXYKQI-UKILVPOCSA-N 1 1 411.505 4.312 20 30 HIEDMO CC[C@H](C)n1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535701870 933356220 /nfs/dbraw/zinc/35/62/20/933356220.db2.gz TVLWRWOWTXWHSF-SFHVURJKSA-N 1 1 420.561 4.343 20 30 HIEDMO CC[C@H](C)n1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535701870 933356232 /nfs/dbraw/zinc/35/62/32/933356232.db2.gz TVLWRWOWTXWHSF-SFHVURJKSA-N 1 1 420.561 4.343 20 30 HIEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1C#N ZINC000535962432 933527378 /nfs/dbraw/zinc/52/73/78/933527378.db2.gz DCTVVZORBOXZMA-ZDUSSCGKSA-N 1 1 409.433 4.200 20 30 HIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1C#N ZINC000535962432 933527379 /nfs/dbraw/zinc/52/73/79/933527379.db2.gz DCTVVZORBOXZMA-ZDUSSCGKSA-N 1 1 409.433 4.200 20 30 HIEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000537339663 933724049 /nfs/dbraw/zinc/72/40/49/933724049.db2.gz VZIAMITZBKOMCI-SFHVURJKSA-N 1 1 420.542 4.061 20 30 HIEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H](C)C1 ZINC000537574497 938327960 /nfs/dbraw/zinc/32/79/60/938327960.db2.gz PCCAGDRONLNBLX-KNQAVFIVSA-N 1 1 421.541 4.217 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1C#N ZINC000537842042 938387042 /nfs/dbraw/zinc/38/70/42/938387042.db2.gz VNNHFYOFCSGLRG-KRWDZBQOSA-N 1 1 408.546 4.459 20 30 HIEDMO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000563315733 945175874 /nfs/dbraw/zinc/17/58/74/945175874.db2.gz DSUGNAKRGMSYME-OAQYLSRUSA-N 1 1 422.916 4.443 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000563315733 945175881 /nfs/dbraw/zinc/17/58/81/945175881.db2.gz DSUGNAKRGMSYME-OAQYLSRUSA-N 1 1 422.916 4.443 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1)CC(C)C ZINC000538033884 938474744 /nfs/dbraw/zinc/47/47/44/938474744.db2.gz NMIPMFFUFATXSN-UHFFFAOYSA-N 1 1 401.620 4.398 20 30 HIEDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538138663 938517008 /nfs/dbraw/zinc/51/70/08/938517008.db2.gz DRGAKMSXRRDRQA-HNNXBMFYSA-N 1 1 408.571 4.184 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1C#N ZINC000538149687 938521933 /nfs/dbraw/zinc/52/19/33/938521933.db2.gz CKDAGILRVFYGIT-KRWDZBQOSA-N 1 1 401.466 4.170 20 30 HIEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000538237188 938570028 /nfs/dbraw/zinc/57/00/28/938570028.db2.gz MAHAOARAJSPDLA-UHFFFAOYSA-N 1 1 419.447 4.060 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C(N)=O)cc1 ZINC000538322555 938592046 /nfs/dbraw/zinc/59/20/46/938592046.db2.gz CASCTBFEGUUHLS-QZTJIDSGSA-N 1 1 407.823 4.498 20 30 HIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821632 938944638 /nfs/dbraw/zinc/94/46/38/938944638.db2.gz AJZOWXNHQPOISK-FGZHOGPDSA-N 1 1 401.470 4.267 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821632 938944639 /nfs/dbraw/zinc/94/46/39/938944639.db2.gz AJZOWXNHQPOISK-FGZHOGPDSA-N 1 1 401.470 4.267 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832464 938952258 /nfs/dbraw/zinc/95/22/58/938952258.db2.gz SPMOACSJBOSWCU-AWEZNQCLSA-N 1 1 403.408 4.152 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C2CCCCC2)cc1OC ZINC000539885248 938965614 /nfs/dbraw/zinc/96/56/14/938965614.db2.gz GUBYVUVWVOECPD-UHFFFAOYSA-N 1 1 421.541 4.027 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540042673 939047131 /nfs/dbraw/zinc/04/71/31/939047131.db2.gz IFECYUUOORQAKH-SFHVURJKSA-N 1 1 408.571 4.369 20 30 HIEDMO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000540455913 939257483 /nfs/dbraw/zinc/25/74/83/939257483.db2.gz GBOSNVZJCNPHJP-HSZRJFAPSA-N 1 1 409.599 4.471 20 30 HIEDMO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1cc(F)ccc1F ZINC000540457031 939259191 /nfs/dbraw/zinc/25/91/91/939259191.db2.gz UPXYOSGAEJLNAM-BEFAXECRSA-N 1 1 401.457 4.349 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)c(C#N)c1C ZINC000540467159 939263840 /nfs/dbraw/zinc/26/38/40/939263840.db2.gz BPQXTNTXMOMORZ-IBGZPJMESA-N 1 1 413.543 4.156 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540741290 939355127 /nfs/dbraw/zinc/35/51/27/939355127.db2.gz HTHOAWJPZKALQY-LAUBAEHRSA-N 1 1 411.908 4.457 20 30 HIEDMO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 ZINC000541353880 939496111 /nfs/dbraw/zinc/49/61/11/939496111.db2.gz CGUICPZYGMFODD-JOCHJYFZSA-N 1 1 413.525 4.127 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 ZINC000541353880 939496113 /nfs/dbraw/zinc/49/61/13/939496113.db2.gz CGUICPZYGMFODD-JOCHJYFZSA-N 1 1 413.525 4.127 20 30 HIEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000541379520 939501369 /nfs/dbraw/zinc/50/13/69/939501369.db2.gz RNQUUXXKHFPHSH-KBPBESRZSA-N 1 1 402.589 4.265 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700973 939608827 /nfs/dbraw/zinc/60/88/27/939608827.db2.gz BACRHHMWTZXVKQ-UYAOXDASSA-N 1 1 401.869 4.141 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966317 939665118 /nfs/dbraw/zinc/66/51/18/939665118.db2.gz XEGFRZPDNOMGHQ-ICSRJNTNSA-N 1 1 422.495 4.424 20 30 HIEDMO N#Cc1ccc(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000542230721 939766066 /nfs/dbraw/zinc/76/60/66/939766066.db2.gz XKGPPWNQZBUPLA-UHFFFAOYSA-N 1 1 402.325 4.188 20 30 HIEDMO CSc1c(F)cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000542395805 939813765 /nfs/dbraw/zinc/81/37/65/939813765.db2.gz DAZRVYXZWIZURK-UHFFFAOYSA-N 1 1 416.497 4.298 20 30 HIEDMO CSc1c(F)cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000542395805 939813766 /nfs/dbraw/zinc/81/37/66/939813766.db2.gz DAZRVYXZWIZURK-UHFFFAOYSA-N 1 1 416.497 4.298 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000543363071 940042146 /nfs/dbraw/zinc/04/21/46/940042146.db2.gz UQVYCALZJNUTAZ-WMZHIEFXSA-N 1 1 402.542 4.285 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000563780432 945300851 /nfs/dbraw/zinc/30/08/51/945300851.db2.gz GODLNSGSMLFILG-RBBKRZOGSA-N 1 1 416.573 4.324 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543885582 940225681 /nfs/dbraw/zinc/22/56/81/940225681.db2.gz AVMLZZZAHIUROU-INIZCTEOSA-N 1 1 414.941 4.031 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031465 940304992 /nfs/dbraw/zinc/30/49/92/940304992.db2.gz IPCDJKFDUFBBJB-GOSISDBHSA-N 1 1 414.435 4.011 20 30 HIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000544084530 940321952 /nfs/dbraw/zinc/32/19/52/940321952.db2.gz FRCOXVYRHWEHSK-XMMPIXPASA-N 1 1 420.534 4.044 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544412042 940416697 /nfs/dbraw/zinc/41/66/97/940416697.db2.gz MWTIROZQRZMEPT-LIRRHRJNSA-N 1 1 406.288 4.427 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544412038 940416747 /nfs/dbraw/zinc/41/67/47/940416747.db2.gz MWTIROZQRZMEPT-IFXJQAMLSA-N 1 1 406.288 4.427 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)s1 ZINC000544422280 940421162 /nfs/dbraw/zinc/42/11/62/940421162.db2.gz UWDOUDJJXQXYJV-BFUOFWGJSA-N 1 1 400.573 4.383 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nc(C)cs1 ZINC000544452915 940437027 /nfs/dbraw/zinc/43/70/27/940437027.db2.gz YMVAPLKWGNIOBC-SFHVURJKSA-N 1 1 411.531 4.062 20 30 HIEDMO C=CCc1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851164 940519100 /nfs/dbraw/zinc/51/91/00/940519100.db2.gz OUCWQFPUTXPDIN-JOCHJYFZSA-N 1 1 408.542 4.169 20 30 HIEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC000547976677 941081719 /nfs/dbraw/zinc/08/17/19/941081719.db2.gz RAMZVBFKZRNBII-QGZVFWFLSA-N 1 1 407.823 4.235 20 30 HIEDMO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000548792687 941124024 /nfs/dbraw/zinc/12/40/24/941124024.db2.gz NZKWONYSLLSGRS-UHFFFAOYSA-N 1 1 414.509 4.122 20 30 HIEDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934636 941130566 /nfs/dbraw/zinc/13/05/66/941130566.db2.gz MNBFOJPWGRTNFB-JFTIXFDTSA-N 1 1 418.537 4.070 20 30 HIEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000549475156 941194133 /nfs/dbraw/zinc/19/41/33/941194133.db2.gz CGKNSKCWPVWAGA-UHFFFAOYSA-N 1 1 422.460 4.086 20 30 HIEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000549541981 941198813 /nfs/dbraw/zinc/19/88/13/941198813.db2.gz JIMWLLZMSSEUBJ-DNVCBOLYSA-N 1 1 416.447 4.270 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000549553239 941199096 /nfs/dbraw/zinc/19/90/96/941199096.db2.gz TWQAHJCPFDXSQU-UHFFFAOYSA-N 1 1 401.532 4.345 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549685257 941204406 /nfs/dbraw/zinc/20/44/06/941204406.db2.gz HXKCGVPITVNXAM-OAQYLSRUSA-N 1 1 411.594 4.218 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000551404992 941471019 /nfs/dbraw/zinc/47/10/19/941471019.db2.gz MVAHJPUOKCNTTI-LAUBAEHRSA-N 1 1 419.550 4.101 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000551404992 941471022 /nfs/dbraw/zinc/47/10/22/941471022.db2.gz MVAHJPUOKCNTTI-LAUBAEHRSA-N 1 1 419.550 4.101 20 30 HIEDMO N#Cc1cccc(C2([NH2+]CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)CC2)c1 ZINC000551410944 941472185 /nfs/dbraw/zinc/47/21/85/941472185.db2.gz KACIBASMHXGWSL-LJQANCHMSA-N 1 1 416.506 4.169 20 30 HIEDMO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000551412999 941473691 /nfs/dbraw/zinc/47/36/91/941473691.db2.gz DEGYYKPCHKBHGT-OAHLLOKOSA-N 1 1 420.485 4.255 20 30 HIEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000552076326 941580630 /nfs/dbraw/zinc/58/06/30/941580630.db2.gz HIQZPPBWCINIRQ-QFIPXVFZSA-N 1 1 407.514 4.289 20 30 HIEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000552076326 941580635 /nfs/dbraw/zinc/58/06/35/941580635.db2.gz HIQZPPBWCINIRQ-QFIPXVFZSA-N 1 1 407.514 4.289 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125160 941589612 /nfs/dbraw/zinc/58/96/12/941589612.db2.gz LFCVRTAPPKALPM-HSZRJFAPSA-N 1 1 421.491 4.331 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000552141620 941592825 /nfs/dbraw/zinc/59/28/25/941592825.db2.gz NUQMYONUIQZMLM-UHFFFAOYSA-N 1 1 420.315 4.327 20 30 HIEDMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552288299 941623311 /nfs/dbraw/zinc/62/33/11/941623311.db2.gz MZDQYPCVUUGZNZ-UHFFFAOYSA-N 1 1 420.557 4.263 20 30 HIEDMO N#CCC[C@@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681720 941943216 /nfs/dbraw/zinc/94/32/16/941943216.db2.gz YNJGYOSEDUCZJO-ILBGXUMGSA-N 1 1 402.542 4.339 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554644992 942185393 /nfs/dbraw/zinc/18/53/93/942185393.db2.gz PFAVWIKNEYRJDU-SFHVURJKSA-N 1 1 415.557 4.300 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987577 942344383 /nfs/dbraw/zinc/34/43/83/942344383.db2.gz FNCZNQBFJGRHCO-ZEQRLZLVSA-N 1 1 402.519 4.328 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000555266167 942454429 /nfs/dbraw/zinc/45/44/29/942454429.db2.gz WHNYLSUPGZFOKY-OAQYLSRUSA-N 1 1 422.621 4.321 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000555335701 942481344 /nfs/dbraw/zinc/48/13/44/942481344.db2.gz WQZXGADJWYRZTM-LJQANCHMSA-N 1 1 413.529 4.120 20 30 HIEDMO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000555363836 942496502 /nfs/dbraw/zinc/49/65/02/942496502.db2.gz MCBYVIVNKDDAJH-GOSISDBHSA-N 1 1 420.586 4.417 20 30 HIEDMO C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](c2ccccc2)C1 ZINC000555417534 942521812 /nfs/dbraw/zinc/52/18/12/942521812.db2.gz XRMCPLYKLUTTLB-OAQYLSRUSA-N 1 1 417.538 4.126 20 30 HIEDMO C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](c2ccccc2)C1 ZINC000555417534 942521828 /nfs/dbraw/zinc/52/18/28/942521828.db2.gz XRMCPLYKLUTTLB-OAQYLSRUSA-N 1 1 417.538 4.126 20 30 HIEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231459 942823290 /nfs/dbraw/zinc/82/32/90/942823290.db2.gz AIOXWYHPUAXQDS-NOZRDPDXSA-N 1 1 401.554 4.064 20 30 HIEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231459 942823291 /nfs/dbraw/zinc/82/32/91/942823291.db2.gz AIOXWYHPUAXQDS-NOZRDPDXSA-N 1 1 401.554 4.064 20 30 HIEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000556883327 942949980 /nfs/dbraw/zinc/94/99/80/942949980.db2.gz BYUWOAFJSGKQFJ-UHFFFAOYSA-N 1 1 419.529 4.093 20 30 HIEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927027 942969378 /nfs/dbraw/zinc/96/93/78/942969378.db2.gz KURPGNNEJZPALT-KRWDZBQOSA-N 1 1 424.854 4.438 20 30 HIEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000558617845 943618604 /nfs/dbraw/zinc/61/86/04/943618604.db2.gz PQBOTIXZKIYTNQ-QGZVFWFLSA-N 1 1 404.986 4.055 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000558860014 943704647 /nfs/dbraw/zinc/70/46/47/943704647.db2.gz HNEJRBFIMHFLRV-KRWDZBQOSA-N 1 1 422.838 4.192 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000558860182 943705429 /nfs/dbraw/zinc/70/54/29/943705429.db2.gz ODEHORWVIBHCSE-UHFFFAOYSA-N 1 1 419.554 4.149 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000558860182 943705440 /nfs/dbraw/zinc/70/54/40/943705440.db2.gz ODEHORWVIBHCSE-UHFFFAOYSA-N 1 1 419.554 4.149 20 30 HIEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000559072265 943824376 /nfs/dbraw/zinc/82/43/76/943824376.db2.gz ABVZXBVBYIQREE-UHFFFAOYSA-N 1 1 419.550 4.337 20 30 HIEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000559072265 943824380 /nfs/dbraw/zinc/82/43/80/943824380.db2.gz ABVZXBVBYIQREE-UHFFFAOYSA-N 1 1 419.550 4.337 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cscc2C#N)CC1 ZINC000559541720 943998397 /nfs/dbraw/zinc/99/83/97/943998397.db2.gz QITXIDFOSLIKKY-UHFFFAOYSA-N 1 1 407.461 4.375 20 30 HIEDMO N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000561075719 944430730 /nfs/dbraw/zinc/43/07/30/944430730.db2.gz UYQUUDWLVJUIOH-AREMUKBSSA-N 1 1 424.548 4.455 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085326 944439367 /nfs/dbraw/zinc/43/93/67/944439367.db2.gz SOUYZGQNMBCJEJ-QPPBQGQZSA-N 1 1 417.509 4.202 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000561962054 944876892 /nfs/dbraw/zinc/87/68/92/944876892.db2.gz UBENCIZVLTXJPY-UHFFFAOYSA-N 1 1 404.461 4.066 20 30 HIEDMO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562024256 944899375 /nfs/dbraw/zinc/89/93/75/944899375.db2.gz GYTXIYATVSFLDH-KRWDZBQOSA-N 1 1 403.983 4.083 20 30 HIEDMO C=CCn1c(COc2ccccc2CC)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000562027844 944901730 /nfs/dbraw/zinc/90/17/30/944901730.db2.gz WLBBQLWCMHRWBY-UHFFFAOYSA-N 1 1 409.578 4.060 20 30 HIEDMO CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000564194423 945428761 /nfs/dbraw/zinc/42/87/61/945428761.db2.gz USBUROFWZGPPNN-QHCPKHFHSA-N 1 1 420.557 4.147 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000564375346 945540558 /nfs/dbraw/zinc/54/05/58/945540558.db2.gz DCBISSAVAQCWKE-VGOFRKELSA-N 1 1 404.562 4.154 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000564375341 945540773 /nfs/dbraw/zinc/54/07/73/945540773.db2.gz DCBISSAVAQCWKE-JTSKRJEESA-N 1 1 404.562 4.154 20 30 HIEDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000564603266 945699954 /nfs/dbraw/zinc/69/99/54/945699954.db2.gz HLDWZHDBZHHLNX-FQEVSTJZSA-N 1 1 407.533 4.393 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702155 946075683 /nfs/dbraw/zinc/07/56/83/946075683.db2.gz XKBHJNJDROCAPO-ROUUACIJSA-N 1 1 405.498 4.019 20 30 HIEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2 ZINC000566766685 946093721 /nfs/dbraw/zinc/09/37/21/946093721.db2.gz AQERHOMKDVYYNO-HXUWFJFHSA-N 1 1 400.482 4.038 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000569564127 946891601 /nfs/dbraw/zinc/89/16/01/946891601.db2.gz IHGZKUWEIJUEEA-QFIPXVFZSA-N 1 1 410.926 4.365 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570131288 947111448 /nfs/dbraw/zinc/11/14/48/947111448.db2.gz JGYSADGDRZRWGT-IFXJQAMLSA-N 1 1 404.848 4.304 20 30 HIEDMO C[C@H]1[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000570425942 947238265 /nfs/dbraw/zinc/23/82/65/947238265.db2.gz HIAOHPUPZTUMOT-MBSDFSHPSA-N 1 1 415.493 4.123 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000572657108 947970763 /nfs/dbraw/zinc/97/07/63/947970763.db2.gz VOKHLYFUFWOGJP-UHFFFAOYSA-N 1 1 401.432 4.105 20 30 HIEDMO COCc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000573052205 948072015 /nfs/dbraw/zinc/07/20/15/948072015.db2.gz UGPDFWOTOLVZSR-UHFFFAOYSA-N 1 1 404.489 4.104 20 30 HIEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000573531817 948233831 /nfs/dbraw/zinc/23/38/31/948233831.db2.gz DFRFGWQJNJBQPC-QGZVFWFLSA-N 1 1 402.420 4.131 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000574240393 948395956 /nfs/dbraw/zinc/39/59/56/948395956.db2.gz LPPFIPCZFNJXKW-VQIMIIECSA-N 1 1 411.477 4.003 20 30 HIEDMO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[N@H+](CC)CC1 ZINC000574726498 948513882 /nfs/dbraw/zinc/51/38/82/948513882.db2.gz XWRPPHWKQIJZLN-UHFFFAOYSA-N 1 1 408.575 4.095 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2)c1cccc(Cl)c1 ZINC000574962607 948566267 /nfs/dbraw/zinc/56/62/67/948566267.db2.gz OLJKHHDZFGKWMS-HSZRJFAPSA-N 1 1 409.917 4.056 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2)c1cccc(Cl)c1 ZINC000574962607 948566273 /nfs/dbraw/zinc/56/62/73/948566273.db2.gz OLJKHHDZFGKWMS-HSZRJFAPSA-N 1 1 409.917 4.056 20 30 HIEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628528 719080717 /nfs/dbraw/zinc/08/07/17/719080717.db2.gz SGSKYSGJJFCYMS-VQIMIIECSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(C)c2C#N)CC3)cs1 ZINC001164691469 719804153 /nfs/dbraw/zinc/80/41/53/719804153.db2.gz HRZPCIGGNAUGMV-UHFFFAOYSA-N 1 1 401.967 4.315 20 30 HIEDMO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729035 720488757 /nfs/dbraw/zinc/48/87/57/720488757.db2.gz QRTXCQCKMFWONZ-RTWAWAEBSA-N 1 1 403.917 4.317 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1C#N ZINC001164857009 720939904 /nfs/dbraw/zinc/93/99/04/720939904.db2.gz FBXRXMPJMNDFER-ZDUSSCGKSA-N 1 1 407.349 4.186 20 30 HIEDMO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953641 722017781 /nfs/dbraw/zinc/01/77/81/722017781.db2.gz WNJKSHZACUBBGG-UHFFFAOYSA-N 1 1 402.329 4.148 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOc3ccccc3F)sc2C1 ZINC000014079384 845924239 /nfs/dbraw/zinc/92/42/39/845924239.db2.gz NLOSGUHBHSYBBF-HNNXBMFYSA-N 1 1 415.534 4.223 20 30 HIEDMO N#Cc1ccc(CN2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)cc1 ZINC000022770872 846618367 /nfs/dbraw/zinc/61/83/67/846618367.db2.gz ZYEDPIDYUIWNSW-UHFFFAOYSA-N 1 1 407.521 4.191 20 30 HIEDMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752010 846745508 /nfs/dbraw/zinc/74/55/08/846745508.db2.gz OWDWVYMSBDUHJA-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752010 846745510 /nfs/dbraw/zinc/74/55/10/846745510.db2.gz OWDWVYMSBDUHJA-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330950 847126842 /nfs/dbraw/zinc/12/68/42/847126842.db2.gz TZTLNNIMZBWLRB-QGZVFWFLSA-N 1 1 405.498 4.449 20 30 HIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330950 847126852 /nfs/dbraw/zinc/12/68/52/847126852.db2.gz TZTLNNIMZBWLRB-QGZVFWFLSA-N 1 1 405.498 4.449 20 30 HIEDMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026455554 847153538 /nfs/dbraw/zinc/15/35/38/847153538.db2.gz PNNIOXJNTQVXPW-UHFFFAOYSA-N 1 1 403.429 4.019 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000028960465 847484252 /nfs/dbraw/zinc/48/42/52/847484252.db2.gz RKGLFAOCXCOJTL-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029569532 847580992 /nfs/dbraw/zinc/58/09/92/847580992.db2.gz GHYFQRSLYIOCBG-HXUWFJFHSA-N 1 1 405.542 4.185 20 30 HIEDMO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029569532 847581002 /nfs/dbraw/zinc/58/10/02/847581002.db2.gz GHYFQRSLYIOCBG-HXUWFJFHSA-N 1 1 405.542 4.185 20 30 HIEDMO Cc1ccc(-c2noc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000042684139 848344016 /nfs/dbraw/zinc/34/40/16/848344016.db2.gz YFVMYGHOGKEPGH-GOSISDBHSA-N 1 1 419.504 4.325 20 30 HIEDMO N#Cc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000048052661 849155265 /nfs/dbraw/zinc/15/52/65/849155265.db2.gz FQWXCAPHAPEJSL-UHFFFAOYSA-N 1 1 402.420 4.363 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2C#N)CC1 ZINC000052050542 849544281 /nfs/dbraw/zinc/54/42/81/849544281.db2.gz QIFOQETXSLBVDG-UHFFFAOYSA-N 1 1 407.461 4.375 20 30 HIEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045862 849544403 /nfs/dbraw/zinc/54/44/03/849544403.db2.gz JZSBKPAFFRMBJS-LJQANCHMSA-N 1 1 404.432 4.176 20 30 HIEDMO CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000060477560 851112164 /nfs/dbraw/zinc/11/21/64/851112164.db2.gz NZCZXXVDHRRYDD-MRXNPFEDSA-N 1 1 414.347 4.362 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788484 851452610 /nfs/dbraw/zinc/45/26/10/851452610.db2.gz VHXOZDBAGBTHNC-UHFFFAOYSA-N 1 1 411.571 4.464 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000063401465 851679337 /nfs/dbraw/zinc/67/93/37/851679337.db2.gz KVVKYDLYNDCYOE-UHFFFAOYSA-N 1 1 410.518 4.333 20 30 HIEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(Br)c1 ZINC000063751047 851754590 /nfs/dbraw/zinc/75/45/90/851754590.db2.gz ZEFBFPUCSPVSMS-UHFFFAOYSA-N 1 1 400.320 4.478 20 30 HIEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(Br)c1 ZINC000063751047 851754598 /nfs/dbraw/zinc/75/45/98/851754598.db2.gz ZEFBFPUCSPVSMS-UHFFFAOYSA-N 1 1 400.320 4.478 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(COc3ccccc3)CC2)c1C ZINC000065612479 852198560 /nfs/dbraw/zinc/19/85/60/852198560.db2.gz MAPTYVVBBZPHJG-UHFFFAOYSA-N 1 1 405.542 4.341 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(Cl)c1 ZINC000065950627 852330543 /nfs/dbraw/zinc/33/05/43/852330543.db2.gz GCGHETLCCRDEAD-UHFFFAOYSA-N 1 1 407.905 4.246 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(Cl)c1 ZINC000065950627 852330546 /nfs/dbraw/zinc/33/05/46/852330546.db2.gz GCGHETLCCRDEAD-UHFFFAOYSA-N 1 1 407.905 4.246 20 30 HIEDMO N#Cc1ccc(OCCC[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000071950678 852442715 /nfs/dbraw/zinc/44/27/15/852442715.db2.gz CEJCOYXFLIUUKT-UHFFFAOYSA-N 1 1 418.566 4.268 20 30 HIEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000097287058 852597602 /nfs/dbraw/zinc/59/76/02/852597602.db2.gz DPCQBQKBZXDAMT-PYQXHLOTSA-N 1 1 408.546 4.327 20 30 HIEDMO Cc1cc(-c2noc([C@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000097476651 852616074 /nfs/dbraw/zinc/61/60/74/852616074.db2.gz ODQRXULNHUSEGP-SFHVURJKSA-N 1 1 419.504 4.325 20 30 HIEDMO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nc12 ZINC000108975639 852902952 /nfs/dbraw/zinc/90/29/52/852902952.db2.gz KUJCIHXNMBPTFG-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nc12 ZINC000108975639 852902966 /nfs/dbraw/zinc/90/29/66/852902966.db2.gz KUJCIHXNMBPTFG-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000111222577 853227044 /nfs/dbraw/zinc/22/70/44/853227044.db2.gz HCPICXVNRLYHPQ-UHFFFAOYSA-N 1 1 412.559 4.009 20 30 HIEDMO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000116452760 853305894 /nfs/dbraw/zinc/30/58/94/853305894.db2.gz SXXZDDVMOWUWOR-UHFFFAOYSA-N 1 1 424.548 4.057 20 30 HIEDMO CCCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000216530865 853855143 /nfs/dbraw/zinc/85/51/43/853855143.db2.gz PCFNRXGMUKFDCB-HSZRJFAPSA-N 1 1 410.583 4.176 20 30 HIEDMO CCCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000216530865 853855150 /nfs/dbraw/zinc/85/51/50/853855150.db2.gz PCFNRXGMUKFDCB-HSZRJFAPSA-N 1 1 410.583 4.176 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2cc(Br)c(OCCC)c(OC)c2)CC1 ZINC000236988673 853947347 /nfs/dbraw/zinc/94/73/47/853947347.db2.gz HQVRNTIBQSSUJK-UHFFFAOYSA-N 1 1 411.384 4.377 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(Cl)cc2)c1 ZINC000237474549 854040853 /nfs/dbraw/zinc/04/08/53/854040853.db2.gz FKHYMXRHKVAHQG-JOCHJYFZSA-N 1 1 410.926 4.494 20 30 HIEDMO N#CCCn1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237830912 854105545 /nfs/dbraw/zinc/10/55/45/854105545.db2.gz CVBHDHHVMYEUTL-QHCPKHFHSA-N 1 1 413.569 4.118 20 30 HIEDMO N#CCCn1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237830912 854105546 /nfs/dbraw/zinc/10/55/46/854105546.db2.gz CVBHDHHVMYEUTL-QHCPKHFHSA-N 1 1 413.569 4.118 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316714 854357174 /nfs/dbraw/zinc/35/71/74/854357174.db2.gz VYNHTYHSVZNDJE-LJQANCHMSA-N 1 1 420.347 4.058 20 30 HIEDMO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4cc(Br)ccc34)CC2)nc1 ZINC000301320887 854358093 /nfs/dbraw/zinc/35/80/93/854358093.db2.gz SLDSCDPLBRJUCY-UHFFFAOYSA-N 1 1 408.303 4.345 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301659591 854438820 /nfs/dbraw/zinc/43/88/20/854438820.db2.gz CBWXRTUCFMRPAL-RTBURBONSA-N 1 1 400.448 4.463 20 30 HIEDMO CSc1ccc([C@H](CNc2ccc(C#N)nn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000301947837 854502244 /nfs/dbraw/zinc/50/22/44/854502244.db2.gz YHNHCBLLVXDGDE-IBGZPJMESA-N 1 1 407.568 4.343 20 30 HIEDMO CSc1ccc([C@H](CNc2ccc(C#N)nn2)[N@H+]2CCc3sccc3C2)cc1 ZINC000301947837 854502250 /nfs/dbraw/zinc/50/22/50/854502250.db2.gz YHNHCBLLVXDGDE-IBGZPJMESA-N 1 1 407.568 4.343 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(Cc4ccc(Cl)cc4)s3)CC2)cc1 ZINC000302528699 854580516 /nfs/dbraw/zinc/58/05/16/854580516.db2.gz PKKBJPLSJDAVSD-UHFFFAOYSA-N 1 1 423.973 4.366 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSc3ccccc3Cl)CC2)cc1 ZINC000302903479 854673451 /nfs/dbraw/zinc/67/34/51/854673451.db2.gz YYFHWJTWAGICJL-UHFFFAOYSA-N 1 1 413.974 4.428 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303376243 854899072 /nfs/dbraw/zinc/89/90/72/854899072.db2.gz LJCPGVCBEBQMTP-LJQANCHMSA-N 1 1 408.571 4.089 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000303376243 854899076 /nfs/dbraw/zinc/89/90/76/854899076.db2.gz LJCPGVCBEBQMTP-LJQANCHMSA-N 1 1 408.571 4.089 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000437351882 862632459 /nfs/dbraw/zinc/63/24/59/862632459.db2.gz KCFARIKJJKPZLO-IIBYNOLFSA-N 1 1 407.963 4.477 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000303582497 855056847 /nfs/dbraw/zinc/05/68/47/855056847.db2.gz FDKWHLOSKUANSW-UHFFFAOYSA-N 1 1 411.505 4.095 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)CCOCC1 ZINC000410418048 855986986 /nfs/dbraw/zinc/98/69/86/855986986.db2.gz MNRVXHVMJGGLIE-MRXNPFEDSA-N 1 1 421.467 4.028 20 30 HIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCn2c(C)ncc2[N+](=O)[O-])c(OCC)c1 ZINC000426577920 856357394 /nfs/dbraw/zinc/35/73/94/856357394.db2.gz FOAVZOHROYVWKL-LJQANCHMSA-N 1 1 414.506 4.118 20 30 HIEDMO N#Cc1cccc(NCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000426613310 856373331 /nfs/dbraw/zinc/37/33/31/856373331.db2.gz RFYYABDNXIMTST-UHFFFAOYSA-N 1 1 417.340 4.058 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426670152 856405057 /nfs/dbraw/zinc/40/50/57/856405057.db2.gz CWLMGSDVTZQASV-HKUYNNGSSA-N 1 1 407.424 4.117 20 30 HIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000428384488 857184440 /nfs/dbraw/zinc/18/44/40/857184440.db2.gz OBRSIRCLSJULMH-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000428384488 857184446 /nfs/dbraw/zinc/18/44/46/857184446.db2.gz OBRSIRCLSJULMH-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428802657 857349624 /nfs/dbraw/zinc/34/96/24/857349624.db2.gz HIRPRBUTYKXTTK-OAQYLSRUSA-N 1 1 421.932 4.122 20 30 HIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429223554 857562823 /nfs/dbraw/zinc/56/28/23/857562823.db2.gz RVAVXPPVZIYWKJ-JQHMZKTJSA-N 1 1 402.970 4.234 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780533 857882794 /nfs/dbraw/zinc/88/27/94/857882794.db2.gz ATRBQYGTXFYIJP-RTWAWAEBSA-N 1 1 419.573 4.190 20 30 HIEDMO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000437660233 863000073 /nfs/dbraw/zinc/00/00/73/863000073.db2.gz ZDVYACQZNUTARN-LBPRGKRZSA-N 1 1 409.292 4.426 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000430652263 858249892 /nfs/dbraw/zinc/24/98/92/858249892.db2.gz HLTFXYFUKOAUEK-NZQKXSOJSA-N 1 1 405.542 4.277 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430779837 858302291 /nfs/dbraw/zinc/30/22/91/858302291.db2.gz GPWMSCZJHZYRHM-UMEGOILYSA-N 1 1 406.526 4.296 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc21 ZINC000430927370 858372907 /nfs/dbraw/zinc/37/29/07/858372907.db2.gz IOLDILLRAKCYMJ-JOCHJYFZSA-N 1 1 415.537 4.461 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc21 ZINC000430927370 858372912 /nfs/dbraw/zinc/37/29/12/858372912.db2.gz IOLDILLRAKCYMJ-JOCHJYFZSA-N 1 1 415.537 4.461 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2CC(=O)c2cccs2)sc2c1CCC2 ZINC000430996166 858398471 /nfs/dbraw/zinc/39/84/71/858398471.db2.gz MCGZAFPWGGFPOY-AWEZNQCLSA-N 1 1 413.568 4.236 20 30 HIEDMO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431419094 858605544 /nfs/dbraw/zinc/60/55/44/858605544.db2.gz CRTXLQUOTMAPGB-AGILITTLSA-N 1 1 417.553 4.101 20 30 HIEDMO C=CCN1C(=O)N([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431520396 858654206 /nfs/dbraw/zinc/65/42/06/858654206.db2.gz OSULUIGAPXVJQZ-WZONZLPQSA-N 1 1 414.509 4.303 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431698038 858746469 /nfs/dbraw/zinc/74/64/69/858746469.db2.gz QYONVHYWZFNVII-YKSBVNFPSA-N 1 1 402.542 4.309 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935162 858877380 /nfs/dbraw/zinc/87/73/80/858877380.db2.gz GFYDQZSQFKIFDZ-LADGPHEKSA-N 1 1 404.558 4.285 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000432940512 859438796 /nfs/dbraw/zinc/43/87/96/859438796.db2.gz SCWZVMOOBJOGIZ-DLBZAZTESA-N 1 1 405.384 4.412 20 30 HIEDMO CCN(Cc1cc(Br)ccc1C[N@@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000432940512 859438807 /nfs/dbraw/zinc/43/88/07/859438807.db2.gz SCWZVMOOBJOGIZ-DLBZAZTESA-N 1 1 405.384 4.412 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCSC1 ZINC000433195987 859562759 /nfs/dbraw/zinc/56/27/59/859562759.db2.gz FBEKZOZXTLAVRY-INIZCTEOSA-N 1 1 421.632 4.061 20 30 HIEDMO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2ccncc2)cs1 ZINC000433342553 859655787 /nfs/dbraw/zinc/65/57/87/859655787.db2.gz LHKQVEXCVFBYIW-INIZCTEOSA-N 1 1 415.526 4.228 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433488153 859728653 /nfs/dbraw/zinc/72/86/53/859728653.db2.gz SWPOTBOGMOIRMO-OAQYLSRUSA-N 1 1 401.510 4.300 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433488153 859728662 /nfs/dbraw/zinc/72/86/62/859728662.db2.gz SWPOTBOGMOIRMO-OAQYLSRUSA-N 1 1 401.510 4.300 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467697279 881491892 /nfs/dbraw/zinc/49/18/92/881491892.db2.gz RMQXIDAJCDZPIM-XMSQKQJNSA-N 1 1 415.493 4.123 20 30 HIEDMO C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434369897 860316844 /nfs/dbraw/zinc/31/68/44/860316844.db2.gz BZJFPMNJRVNVDG-HSALFYBXSA-N 1 1 420.557 4.037 20 30 HIEDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434369897 860316851 /nfs/dbraw/zinc/31/68/51/860316851.db2.gz BZJFPMNJRVNVDG-HSALFYBXSA-N 1 1 420.557 4.037 20 30 HIEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434713670 860467193 /nfs/dbraw/zinc/46/71/93/860467193.db2.gz JJCBSPMBZALTBL-NRFANRHFSA-N 1 1 420.538 4.095 20 30 HIEDMO CC[C@](C)(O)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000434980720 860585169 /nfs/dbraw/zinc/58/51/69/860585169.db2.gz GWAMKBYUMHDPHZ-DEOSSOPVSA-N 1 1 403.530 4.022 20 30 HIEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCN(c2cnccn2)CC1 ZINC000435031651 860607432 /nfs/dbraw/zinc/60/74/32/860607432.db2.gz CEYXUFPIWQTMJD-UHFFFAOYSA-N 1 1 413.525 4.028 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124048 860652188 /nfs/dbraw/zinc/65/21/88/860652188.db2.gz LFFXHXGJRBHHBU-XMMPIXPASA-N 1 1 415.541 4.082 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c(OC)c1 ZINC000435136538 860658301 /nfs/dbraw/zinc/65/83/01/860658301.db2.gz DFIGYJLLXGKTAE-QFIPXVFZSA-N 1 1 417.513 4.213 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462280 860806749 /nfs/dbraw/zinc/80/67/49/860806749.db2.gz BRKJNIGIMFCYCE-HNAYVOBHSA-N 1 1 405.420 4.291 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000439123901 864559773 /nfs/dbraw/zinc/55/97/73/864559773.db2.gz MDDUTIPKIHDXMS-UHFFFAOYSA-N 1 1 401.432 4.280 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CC[C@H](O)CC3)sc2C1 ZINC000439303131 864731297 /nfs/dbraw/zinc/73/12/97/864731297.db2.gz OTIUJVSMUYRZDW-ULQDDVLXSA-N 1 1 417.619 4.335 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315947 864749002 /nfs/dbraw/zinc/74/90/02/864749002.db2.gz QEACFCQDPMHTRC-JPYJTQIMSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315947 864749030 /nfs/dbraw/zinc/74/90/30/864749030.db2.gz QEACFCQDPMHTRC-JPYJTQIMSA-N 1 1 405.546 4.221 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 ZINC000439428794 864829237 /nfs/dbraw/zinc/82/92/37/864829237.db2.gz COIGNCUFJMVBOX-SFHVURJKSA-N 1 1 411.937 4.443 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 ZINC000439428794 864829240 /nfs/dbraw/zinc/82/92/40/864829240.db2.gz COIGNCUFJMVBOX-SFHVURJKSA-N 1 1 411.937 4.443 20 30 HIEDMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439448870 864835593 /nfs/dbraw/zinc/83/55/93/864835593.db2.gz GSHFKAOVDHYDAS-HNNXBMFYSA-N 1 1 405.951 4.093 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439579960 864899871 /nfs/dbraw/zinc/89/98/71/864899871.db2.gz HMHPRUYOGYZKTF-QFIPXVFZSA-N 1 1 418.585 4.488 20 30 HIEDMO CCCc1c(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439666577 864997109 /nfs/dbraw/zinc/99/71/09/864997109.db2.gz OXTURJFQRYWNBM-IBGZPJMESA-N 1 1 422.577 4.330 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000439776783 865098926 /nfs/dbraw/zinc/09/89/26/865098926.db2.gz XSRVMMZOEWIWKE-GOSISDBHSA-N 1 1 410.352 4.414 20 30 HIEDMO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000439852135 865162065 /nfs/dbraw/zinc/16/20/65/865162065.db2.gz BTKWCUMTTZHTOK-IBGZPJMESA-N 1 1 421.875 4.052 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000440638885 865853003 /nfs/dbraw/zinc/85/30/03/865853003.db2.gz RBBWKDMGCZPSLZ-LIRRHRJNSA-N 1 1 411.347 4.322 20 30 HIEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440651858 865856923 /nfs/dbraw/zinc/85/69/23/865856923.db2.gz LJZATYRPQXLCLL-CQSZACIVSA-N 1 1 410.319 4.062 20 30 HIEDMO N#CC1CCC(CNC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000441038138 866102962 /nfs/dbraw/zinc/10/29/62/866102962.db2.gz SFZYZWHQBVPTPP-UHFFFAOYSA-N 1 1 422.495 4.253 20 30 HIEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468118294 881946651 /nfs/dbraw/zinc/94/66/51/881946651.db2.gz AWQATLFSHYSXSS-GFCCVEGCSA-N 1 1 401.482 4.335 20 30 HIEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468118294 881946659 /nfs/dbraw/zinc/94/66/59/881946659.db2.gz AWQATLFSHYSXSS-GFCCVEGCSA-N 1 1 401.482 4.335 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095807 866191114 /nfs/dbraw/zinc/19/11/14/866191114.db2.gz RPINJRLTLFXSBY-ZBFHGGJFSA-N 1 1 420.460 4.018 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)C2=O)cc1 ZINC000441095807 866191126 /nfs/dbraw/zinc/19/11/26/866191126.db2.gz RPINJRLTLFXSBY-ZBFHGGJFSA-N 1 1 420.460 4.018 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103676 866200668 /nfs/dbraw/zinc/20/06/68/866200668.db2.gz LBRUWVQNYJDTGE-AWEZNQCLSA-N 1 1 408.449 4.242 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441257609 866332999 /nfs/dbraw/zinc/33/29/99/866332999.db2.gz CCZBZMBVLDNJPS-UONOGXRCSA-N 1 1 419.978 4.143 20 30 HIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000441480399 866560535 /nfs/dbraw/zinc/56/05/35/866560535.db2.gz YAFJZRHKQYKAPI-JOCHJYFZSA-N 1 1 410.949 4.490 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182756 867205092 /nfs/dbraw/zinc/20/50/92/867205092.db2.gz RIONHRLWOGFNPG-WMZOPIPTSA-N 1 1 404.392 4.024 20 30 HIEDMO Cc1nc(-c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000442423426 867394322 /nfs/dbraw/zinc/39/43/22/867394322.db2.gz KKYJUTSFWRKYRE-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(-c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000442423426 867394341 /nfs/dbraw/zinc/39/43/41/867394341.db2.gz KKYJUTSFWRKYRE-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO N#Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C(F)(F)F ZINC000443507112 868073541 /nfs/dbraw/zinc/07/35/41/868073541.db2.gz FLXKEYQGEBNPIC-OAQYLSRUSA-N 1 1 400.448 4.465 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000443536521 868095799 /nfs/dbraw/zinc/09/57/99/868095799.db2.gz AUOKUTLZZYBVAW-HSZRJFAPSA-N 1 1 409.938 4.474 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1Cl ZINC000443660289 868267168 /nfs/dbraw/zinc/26/71/68/868267168.db2.gz QWQLQLUIZSMNSO-CQSZACIVSA-N 1 1 412.852 4.310 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1Cl ZINC000443660289 868267190 /nfs/dbraw/zinc/26/71/90/868267190.db2.gz QWQLQLUIZSMNSO-CQSZACIVSA-N 1 1 412.852 4.310 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1 ZINC000444192546 868658546 /nfs/dbraw/zinc/65/85/46/868658546.db2.gz GEYXMTVVXPMMCL-JXFKEZNVSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1 ZINC000444192546 868658557 /nfs/dbraw/zinc/65/85/57/868658557.db2.gz GEYXMTVVXPMMCL-JXFKEZNVSA-N 1 1 409.555 4.208 20 30 HIEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cn(CCCC#N)c4ccccc34)sc2C1 ZINC000444370667 868796168 /nfs/dbraw/zinc/79/61/68/868796168.db2.gz IVTVLSOFJZNXHQ-UHFFFAOYSA-N 1 1 407.543 4.420 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cn(CCCC#N)c4ccccc34)sc2C1 ZINC000444370667 868796180 /nfs/dbraw/zinc/79/61/80/868796180.db2.gz IVTVLSOFJZNXHQ-UHFFFAOYSA-N 1 1 407.543 4.420 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)(c1ccccc1)c1ccccc1 ZINC000444609909 868903020 /nfs/dbraw/zinc/90/30/20/868903020.db2.gz NOKCYFHXSKZWOC-OAQYLSRUSA-N 1 1 411.553 4.304 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(c2cccnn2)CC1 ZINC000444658342 868935004 /nfs/dbraw/zinc/93/50/04/868935004.db2.gz AYHJGOLAYPXVRE-UHFFFAOYSA-N 1 1 411.553 4.277 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444667119 868946187 /nfs/dbraw/zinc/94/61/87/868946187.db2.gz ATMOFJYABFBSJJ-VXGBXAGGSA-N 1 1 401.417 4.191 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702466 868963835 /nfs/dbraw/zinc/96/38/35/868963835.db2.gz IPPRXADJKFTLKV-ZDUSSCGKSA-N 1 1 404.308 4.298 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702466 868963843 /nfs/dbraw/zinc/96/38/43/868963843.db2.gz IPPRXADJKFTLKV-ZDUSSCGKSA-N 1 1 404.308 4.298 20 30 HIEDMO Cc1cccc2nc(C3CC[NH+](CC(=O)N(CCC#N)c4ccccc4)CC3)oc21 ZINC000444786277 869004013 /nfs/dbraw/zinc/00/40/13/869004013.db2.gz SYSLOYATHPVVGY-UHFFFAOYSA-N 1 1 402.498 4.263 20 30 HIEDMO N#Cc1cc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000445732650 869788059 /nfs/dbraw/zinc/78/80/59/869788059.db2.gz LPJUWQGAHGLGEN-UHFFFAOYSA-N 1 1 423.385 4.203 20 30 HIEDMO N#Cc1cc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000445732650 869788066 /nfs/dbraw/zinc/78/80/66/869788066.db2.gz LPJUWQGAHGLGEN-UHFFFAOYSA-N 1 1 423.385 4.203 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446838173 870756654 /nfs/dbraw/zinc/75/66/54/870756654.db2.gz FUGWBRMPFMSMQF-UHFFFAOYSA-N 1 1 413.437 4.212 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000447668062 871597237 /nfs/dbraw/zinc/59/72/37/871597237.db2.gz YLQHAZKMRBIBAI-UHFFFAOYSA-N 1 1 417.431 4.013 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460376046 873013079 /nfs/dbraw/zinc/01/30/79/873013079.db2.gz QZNWLFHNEPJOJY-UHFFFAOYSA-N 1 1 420.536 4.076 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460558947 873283515 /nfs/dbraw/zinc/28/35/15/873283515.db2.gz QLLDVHCLCXFTKY-YRPNKDGESA-N 1 1 403.615 4.082 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460945400 873844770 /nfs/dbraw/zinc/84/47/70/873844770.db2.gz AQBLDSZRFJPJHF-SFTDATJTSA-N 1 1 415.626 4.228 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460952201 873850745 /nfs/dbraw/zinc/85/07/45/873850745.db2.gz NZPSVEXKXCXNKL-KSEOMHKRSA-N 1 1 409.578 4.020 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460961993 873858495 /nfs/dbraw/zinc/85/84/95/873858495.db2.gz VNZGKEUIAAMKML-NRFANRHFSA-N 1 1 419.573 4.333 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)cc1 ZINC000461461211 874521635 /nfs/dbraw/zinc/52/16/35/874521635.db2.gz RQZVHPRRNMTPTI-UHFFFAOYSA-N 1 1 404.489 4.275 20 30 HIEDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067422 875178912 /nfs/dbraw/zinc/17/89/12/875178912.db2.gz NDHNOYMYGVBFNJ-MGPUTAFESA-N 1 1 401.432 4.071 20 30 HIEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000462778891 875834544 /nfs/dbraw/zinc/83/45/44/875834544.db2.gz LXTVZWVSPUKTGN-UHFFFAOYSA-N 1 1 410.443 4.331 20 30 HIEDMO N#Cc1cnc2ccccc2c1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000462804393 875851430 /nfs/dbraw/zinc/85/14/30/875851430.db2.gz RYLSRBASOWEBBB-UHFFFAOYSA-N 1 1 409.493 4.260 20 30 HIEDMO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000463415032 876467950 /nfs/dbraw/zinc/46/79/50/876467950.db2.gz SKVNXCSXPOGLNY-UHFFFAOYSA-N 1 1 402.535 4.181 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000463443522 876500880 /nfs/dbraw/zinc/50/08/80/876500880.db2.gz OSTBMEGDPIGLAU-AREMUKBSSA-N 1 1 415.537 4.055 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000463443522 876500889 /nfs/dbraw/zinc/50/08/89/876500889.db2.gz OSTBMEGDPIGLAU-AREMUKBSSA-N 1 1 415.537 4.055 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000463754342 876877548 /nfs/dbraw/zinc/87/75/48/876877548.db2.gz GSUFCPMCQVIQAD-ROUUACIJSA-N 1 1 410.514 4.122 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000469032911 883101784 /nfs/dbraw/zinc/10/17/84/883101784.db2.gz RBZDVOKUPVQZGL-QGZVFWFLSA-N 1 1 404.539 4.299 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000469032911 883101795 /nfs/dbraw/zinc/10/17/95/883101795.db2.gz RBZDVOKUPVQZGL-QGZVFWFLSA-N 1 1 404.539 4.299 20 30 HIEDMO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464478574 877699479 /nfs/dbraw/zinc/69/94/79/877699479.db2.gz UZWXSZGEDXHSIT-QGZVFWFLSA-N 1 1 405.445 4.139 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc1OC ZINC000465201671 878606612 /nfs/dbraw/zinc/60/66/12/878606612.db2.gz YSWRMGATLIYSJS-SFHVURJKSA-N 1 1 410.514 4.233 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000465365746 878806746 /nfs/dbraw/zinc/80/67/46/878806746.db2.gz BHPGXJXZMVMDLG-UHFFFAOYSA-N 1 1 421.419 4.023 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(N3CCc4ccccc43)CC2)c2ccccc21 ZINC000503429466 912425952 /nfs/dbraw/zinc/42/59/52/912425952.db2.gz AKTZKIZAJGLUES-UHFFFAOYSA-N 1 1 412.537 4.265 20 30 HIEDMO C=CCOc1ccccc1CNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465904523 879565642 /nfs/dbraw/zinc/56/56/42/879565642.db2.gz WMBMDHVDZGOMPE-JOCHJYFZSA-N 1 1 407.558 4.305 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1OC ZINC000466475708 880258750 /nfs/dbraw/zinc/25/87/50/880258750.db2.gz USHQWCHSBAYJLP-MRXNPFEDSA-N 1 1 408.267 4.385 20 30 HIEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC000503524786 912577049 /nfs/dbraw/zinc/57/70/49/912577049.db2.gz SRKRJQWQJMBLDU-UHFFFAOYSA-N 1 1 409.449 4.279 20 30 HIEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC000503528371 912582913 /nfs/dbraw/zinc/58/29/13/912582913.db2.gz CMTOONIYYNWFRN-UHFFFAOYSA-N 1 1 409.449 4.279 20 30 HIEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510909 881326261 /nfs/dbraw/zinc/32/62/61/881326261.db2.gz ARQNCVSHECCHKQ-FQEVSTJZSA-N 1 1 414.933 4.146 20 30 HIEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510909 881326279 /nfs/dbraw/zinc/32/62/79/881326279.db2.gz ARQNCVSHECCHKQ-FQEVSTJZSA-N 1 1 414.933 4.146 20 30 HIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469128058 883223040 /nfs/dbraw/zinc/22/30/40/883223040.db2.gz ZJIPFWBZSOFGKC-OAQYLSRUSA-N 1 1 401.514 4.026 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)sc2c1CCC2 ZINC000469452719 883654763 /nfs/dbraw/zinc/65/47/63/883654763.db2.gz QMRYRWUXOXUPRG-ZDUSSCGKSA-N 1 1 401.482 4.205 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735742 883892568 /nfs/dbraw/zinc/89/25/68/883892568.db2.gz UXNMHNVGZZUMQK-ZDUSSCGKSA-N 1 1 409.408 4.125 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735742 883892574 /nfs/dbraw/zinc/89/25/74/883892574.db2.gz UXNMHNVGZZUMQK-ZDUSSCGKSA-N 1 1 409.408 4.125 20 30 HIEDMO CN(c1ccccc1)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000470209786 884530300 /nfs/dbraw/zinc/53/03/00/884530300.db2.gz NDVYVVCFBMGVDE-UHFFFAOYSA-N 1 1 410.949 4.187 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1cccc(Cl)c1 ZINC000470214661 884537705 /nfs/dbraw/zinc/53/77/05/884537705.db2.gz QEWZXSJYNNMMTQ-UHFFFAOYSA-N 1 1 421.932 4.343 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000503874864 912848889 /nfs/dbraw/zinc/84/88/89/912848889.db2.gz PUFFKPWLBGEFGW-PMACEKPBSA-N 1 1 415.537 4.097 20 30 HIEDMO Cc1nc(SCC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000470667094 885094998 /nfs/dbraw/zinc/09/49/98/885094998.db2.gz JPZIPGRYPIKSME-NRFANRHFSA-N 1 1 422.598 4.094 20 30 HIEDMO COc1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455676 /nfs/dbraw/zinc/45/56/76/885455676.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 1 1 419.569 4.310 20 30 HIEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958564 885457750 /nfs/dbraw/zinc/45/77/50/885457750.db2.gz KWTFPUTUVNZRRM-GGAORHGYSA-N 1 1 420.944 4.065 20 30 HIEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958564 885457755 /nfs/dbraw/zinc/45/77/55/885457755.db2.gz KWTFPUTUVNZRRM-GGAORHGYSA-N 1 1 420.944 4.065 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558632 /nfs/dbraw/zinc/55/86/32/885558632.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 1 1 407.558 4.310 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000471930753 886724212 /nfs/dbraw/zinc/72/42/12/886724212.db2.gz QQGXODVTYGVAEI-NHCUHLMSSA-N 1 1 410.905 4.320 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c1C#N ZINC000472279637 887097447 /nfs/dbraw/zinc/09/74/47/887097447.db2.gz RFFDLBZJURXTSD-UHFFFAOYSA-N 1 1 416.481 4.435 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c1C#N ZINC000472279637 887097462 /nfs/dbraw/zinc/09/74/62/887097462.db2.gz RFFDLBZJURXTSD-UHFFFAOYSA-N 1 1 416.481 4.435 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](COC)Cc1ccccc1 ZINC000472322874 887156193 /nfs/dbraw/zinc/15/61/93/887156193.db2.gz SDISQNXPITUPQC-SFHVURJKSA-N 1 1 411.571 4.017 20 30 HIEDMO N#CC(CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000472582198 887463119 /nfs/dbraw/zinc/46/31/19/887463119.db2.gz QDIXTKXZOFANAT-VWLOTQADSA-N 1 1 409.533 4.450 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)(c1ccccc1)c1ccccc1 ZINC000472607952 887477931 /nfs/dbraw/zinc/47/79/31/887477931.db2.gz XYGQUXGTANSNDQ-XMMPIXPASA-N 1 1 413.521 4.260 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)(c1ccccc1)c1ccccc1 ZINC000472607952 887477944 /nfs/dbraw/zinc/47/79/44/887477944.db2.gz XYGQUXGTANSNDQ-XMMPIXPASA-N 1 1 413.521 4.260 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000472775389 887621971 /nfs/dbraw/zinc/62/19/71/887621971.db2.gz VJQUTAASUDNJNS-JOCHJYFZSA-N 1 1 401.554 4.125 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474148062 888976962 /nfs/dbraw/zinc/97/69/62/888976962.db2.gz UUVXHCKUXLPMOL-LAUBAEHRSA-N 1 1 411.908 4.192 20 30 HIEDMO COC(=O)C[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCCC1 ZINC000474217511 889056840 /nfs/dbraw/zinc/05/68/40/889056840.db2.gz ZSFRFVWGWZHJBI-UHFFFAOYSA-N 1 1 408.498 4.063 20 30 HIEDMO COC(=O)C[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCCC1 ZINC000474217511 889056855 /nfs/dbraw/zinc/05/68/55/889056855.db2.gz ZSFRFVWGWZHJBI-UHFFFAOYSA-N 1 1 408.498 4.063 20 30 HIEDMO N#CC1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCCCC1 ZINC000474988776 889841267 /nfs/dbraw/zinc/84/12/67/889841267.db2.gz LZGDAAXUWVULNK-UHFFFAOYSA-N 1 1 404.352 4.004 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000475551033 890477459 /nfs/dbraw/zinc/47/74/59/890477459.db2.gz PLHMOVBTZJVKRZ-CBQGHPETSA-N 1 1 410.606 4.313 20 30 HIEDMO C=CC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475717135 890654915 /nfs/dbraw/zinc/65/49/15/890654915.db2.gz STSVAIVBLGIYLU-OAHLLOKOSA-N 1 1 406.515 4.030 20 30 HIEDMO C=CC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475717135 890654921 /nfs/dbraw/zinc/65/49/21/890654921.db2.gz STSVAIVBLGIYLU-OAHLLOKOSA-N 1 1 406.515 4.030 20 30 HIEDMO N#CC[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065220 890995070 /nfs/dbraw/zinc/99/50/70/890995070.db2.gz VQMQDNNPEYMEEL-TZIWHRDSSA-N 1 1 415.459 4.483 20 30 HIEDMO Cc1nc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)sc1SCC#N ZINC000504836791 913557647 /nfs/dbraw/zinc/55/76/47/913557647.db2.gz JNIRRWJZFRVFME-HNNXBMFYSA-N 1 1 404.536 4.057 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000476674330 891624882 /nfs/dbraw/zinc/62/48/82/891624882.db2.gz ZZHAQDJCYIXRAH-INIZCTEOSA-N 1 1 424.508 4.252 20 30 HIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000477758952 892848750 /nfs/dbraw/zinc/84/87/50/892848750.db2.gz DQWZJXCZAVEROR-UHFFFAOYSA-N 1 1 405.420 4.307 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2NCCC[N@H+]2CCCO[C@@H](C)C2)c1Br ZINC000479310125 894597808 /nfs/dbraw/zinc/59/78/08/894597808.db2.gz DSWMHMHMRSZZFQ-HNNXBMFYSA-N 1 1 417.351 4.090 20 30 HIEDMO COc1cccc(C2=CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479893970 895241109 /nfs/dbraw/zinc/24/11/09/895241109.db2.gz SGOWSQOVIGSNJP-UHFFFAOYSA-N 1 1 407.539 4.235 20 30 HIEDMO CC1CC[NH+](Cc2cccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)c2)CC1 ZINC000480021694 895370998 /nfs/dbraw/zinc/37/09/98/895370998.db2.gz PKZNTEKPMGCNOI-UHFFFAOYSA-N 1 1 413.569 4.480 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000480702354 896063951 /nfs/dbraw/zinc/06/39/51/896063951.db2.gz VSTMJDMHHPNWJL-YCRPNKLZSA-N 1 1 406.498 4.473 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183955 896530902 /nfs/dbraw/zinc/53/09/02/896530902.db2.gz SRUSBLZIEGABDT-TZIWHRDSSA-N 1 1 409.599 4.403 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000481590895 896970114 /nfs/dbraw/zinc/97/01/14/896970114.db2.gz IERBJVSPOQEWOW-LHSJRXKWSA-N 1 1 406.448 4.366 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481593652 896971715 /nfs/dbraw/zinc/97/17/15/896971715.db2.gz PRVXRWUTFLDBBT-XZOQPEGZSA-N 1 1 400.469 4.448 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000481606023 896986622 /nfs/dbraw/zinc/98/66/22/896986622.db2.gz POSCFBTWTJJLOK-FQEVSTJZSA-N 1 1 410.411 4.432 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000481887707 897262472 /nfs/dbraw/zinc/26/24/72/897262472.db2.gz MABHXORXUZYREB-GMAHTHKFSA-N 1 1 405.567 4.429 20 30 HIEDMO CCc1ccc([C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)CC[NH2+]2)cc1 ZINC000505557831 914260299 /nfs/dbraw/zinc/26/02/99/914260299.db2.gz MVXRYTXESBTBIY-HSZRJFAPSA-N 1 1 400.526 4.294 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482930751 898551128 /nfs/dbraw/zinc/55/11/28/898551128.db2.gz UYAIUXJXLIGFRH-GMAHTHKFSA-N 1 1 418.541 4.475 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000482989957 898631640 /nfs/dbraw/zinc/63/16/40/898631640.db2.gz VQQKPBDAFODKMQ-HYBUGGRVSA-N 1 1 418.541 4.280 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cc(C#N)n(C)c1 ZINC000483150533 898825929 /nfs/dbraw/zinc/82/59/29/898825929.db2.gz CDEASEWLRNCECF-UHFFFAOYSA-N 1 1 412.843 4.418 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cc(C#N)n(C)c1 ZINC000483150533 898825934 /nfs/dbraw/zinc/82/59/34/898825934.db2.gz CDEASEWLRNCECF-UHFFFAOYSA-N 1 1 412.843 4.418 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000505583626 914290961 /nfs/dbraw/zinc/29/09/61/914290961.db2.gz DINKWYKHOPDJES-RBBKRZOGSA-N 1 1 419.569 4.161 20 30 HIEDMO N#Cc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1F ZINC000483234575 898878673 /nfs/dbraw/zinc/87/86/73/898878673.db2.gz KIMMEDUZGULYIM-OAHLLOKOSA-N 1 1 417.200 4.302 20 30 HIEDMO CC1(c2cccc(Cl)c2)CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000483262131 898901985 /nfs/dbraw/zinc/90/19/85/898901985.db2.gz VNXPUTINJJAAFR-UHFFFAOYSA-N 1 1 402.947 4.039 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483343343 898973943 /nfs/dbraw/zinc/97/39/43/898973943.db2.gz ZDYSYQADCTVQOH-RBBKRZOGSA-N 1 1 404.514 4.085 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000505625697 914326204 /nfs/dbraw/zinc/32/62/04/914326204.db2.gz MFQAJBXGGNFPGQ-UHFFFAOYSA-N 1 1 401.466 4.430 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000505625697 914326220 /nfs/dbraw/zinc/32/62/20/914326220.db2.gz MFQAJBXGGNFPGQ-UHFFFAOYSA-N 1 1 401.466 4.430 20 30 HIEDMO Cc1cc(-c2noc([C@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640844 899296637 /nfs/dbraw/zinc/29/66/37/899296637.db2.gz SJDDMKCKNHTPSF-KRWDZBQOSA-N 1 1 419.504 4.371 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000505658668 914357490 /nfs/dbraw/zinc/35/74/90/914357490.db2.gz PAJKTIJIWFVVDO-UHFFFAOYSA-N 1 1 404.445 4.472 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484008406 899645282 /nfs/dbraw/zinc/64/52/82/899645282.db2.gz MKQCROKIOPFMBF-UXHICEINSA-N 1 1 422.495 4.144 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000484991737 900344649 /nfs/dbraw/zinc/34/46/49/900344649.db2.gz BVIQUKBYCPWEEA-VGSWGCGISA-N 1 1 419.529 4.147 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000485005357 900356321 /nfs/dbraw/zinc/35/63/21/900356321.db2.gz YHEZNTXLBFOBIN-UHFFFAOYSA-N 1 1 407.823 4.126 20 30 HIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)c1C ZINC000485073528 900393586 /nfs/dbraw/zinc/39/35/86/900393586.db2.gz QCMTVBHDKLFLOB-UHFFFAOYSA-N 1 1 405.527 4.412 20 30 HIEDMO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162922 900461722 /nfs/dbraw/zinc/46/17/22/900461722.db2.gz SQADNZDRFUNOJM-AEFFLSMTSA-N 1 1 401.470 4.337 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311197 900589284 /nfs/dbraw/zinc/58/92/84/900589284.db2.gz AFBDWGFCMMBHFE-UQBPGWFLSA-N 1 1 423.557 4.149 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311197 900589290 /nfs/dbraw/zinc/58/92/90/900589290.db2.gz AFBDWGFCMMBHFE-UQBPGWFLSA-N 1 1 423.557 4.149 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000485469090 900763120 /nfs/dbraw/zinc/76/31/20/900763120.db2.gz VCRGUIUKYQEPKD-QFIPXVFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000485469090 900763127 /nfs/dbraw/zinc/76/31/27/900763127.db2.gz VCRGUIUKYQEPKD-QFIPXVFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000485469090 900763135 /nfs/dbraw/zinc/76/31/35/900763135.db2.gz VCRGUIUKYQEPKD-QFIPXVFZSA-N 1 1 409.599 4.073 20 30 HIEDMO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000485491792 900781728 /nfs/dbraw/zinc/78/17/28/900781728.db2.gz OHIRUFAAODTWFW-HXUWFJFHSA-N 1 1 423.582 4.383 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000486273874 901456278 /nfs/dbraw/zinc/45/62/78/901456278.db2.gz ZDJSRYZJDRSIIR-UZQPLGKSSA-N 1 1 412.484 4.421 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000486273874 901456314 /nfs/dbraw/zinc/45/63/14/901456314.db2.gz ZDJSRYZJDRSIIR-UZQPLGKSSA-N 1 1 412.484 4.421 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)C(C)C ZINC000486287431 901470043 /nfs/dbraw/zinc/47/00/43/901470043.db2.gz ABHUKBDEDUOMPH-UHFFFAOYSA-N 1 1 407.514 4.249 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910843 914554465 /nfs/dbraw/zinc/55/44/65/914554465.db2.gz DFTHIXHYXZCHSS-TZIWHRDSSA-N 1 1 421.541 4.457 20 30 HIEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000505924030 914571272 /nfs/dbraw/zinc/57/12/72/914571272.db2.gz ZVFUYRRKCHVBFU-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccccc1OCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486819523 901872770 /nfs/dbraw/zinc/87/27/70/901872770.db2.gz DCVIWDACGCPJFY-HYBUGGRVSA-N 1 1 400.482 4.041 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000505930945 914582495 /nfs/dbraw/zinc/58/24/95/914582495.db2.gz USZKKKRPZZDFJW-OALUTQOASA-N 1 1 400.563 4.159 20 30 HIEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000486973151 901999633 /nfs/dbraw/zinc/99/96/33/901999633.db2.gz FBSFOHMJJIRSOP-XQBPLPMBSA-N 1 1 419.525 4.064 20 30 HIEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000486973151 901999644 /nfs/dbraw/zinc/99/96/44/901999644.db2.gz FBSFOHMJJIRSOP-XQBPLPMBSA-N 1 1 419.525 4.064 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000505935921 914587575 /nfs/dbraw/zinc/58/75/75/914587575.db2.gz QWILGVPSAGWLKP-IRXDYDNUSA-N 1 1 412.603 4.279 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000487204722 902100825 /nfs/dbraw/zinc/10/08/25/902100825.db2.gz DPHXLZGIXFAJSP-ROKPMTFOSA-N 1 1 405.542 4.461 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000487204722 902100831 /nfs/dbraw/zinc/10/08/31/902100831.db2.gz DPHXLZGIXFAJSP-ROKPMTFOSA-N 1 1 405.542 4.461 20 30 HIEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000487367619 902163513 /nfs/dbraw/zinc/16/35/13/902163513.db2.gz RQUFURGVHSSLPA-UHFFFAOYSA-N 1 1 419.569 4.163 20 30 HIEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1F ZINC000487425635 902204160 /nfs/dbraw/zinc/20/41/60/902204160.db2.gz DFPXBZIRVUCNLO-UHFFFAOYSA-N 1 1 400.885 4.399 20 30 HIEDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1F ZINC000487425635 902204170 /nfs/dbraw/zinc/20/41/70/902204170.db2.gz DFPXBZIRVUCNLO-UHFFFAOYSA-N 1 1 400.885 4.399 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487965066 902489688 /nfs/dbraw/zinc/48/96/88/902489688.db2.gz DEWKCNUJAPMQMF-ZFWWWQNUSA-N 1 1 405.340 4.095 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000488326379 902764716 /nfs/dbraw/zinc/76/47/16/902764716.db2.gz DEGMNCFJKUVDLO-RBUKOAKNSA-N 1 1 416.294 4.117 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000488556383 902881844 /nfs/dbraw/zinc/88/18/44/902881844.db2.gz IEAWEFWBMYMFAE-FGZHOGPDSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000488556383 902881845 /nfs/dbraw/zinc/88/18/45/902881845.db2.gz IEAWEFWBMYMFAE-FGZHOGPDSA-N 1 1 412.484 4.202 20 30 HIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866793 903638330 /nfs/dbraw/zinc/63/83/30/903638330.db2.gz SJAMSVIJTNSDNF-RHSMWYFYSA-N 1 1 413.319 4.127 20 30 HIEDMO Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490586094 904118472 /nfs/dbraw/zinc/11/84/72/904118472.db2.gz HGPWQCBLZAXAMJ-UHFFFAOYSA-N 1 1 402.342 4.275 20 30 HIEDMO Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490586094 904118481 /nfs/dbraw/zinc/11/84/81/904118481.db2.gz HGPWQCBLZAXAMJ-UHFFFAOYSA-N 1 1 402.342 4.275 20 30 HIEDMO Cn1cc(C[N@H+](C)Cc2cc(Br)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000491142813 904453175 /nfs/dbraw/zinc/45/31/75/904453175.db2.gz WVEWCIWWGOGENV-UHFFFAOYSA-N 1 1 413.294 4.492 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2cc(Br)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000491142813 904453179 /nfs/dbraw/zinc/45/31/79/904453179.db2.gz WVEWCIWWGOGENV-UHFFFAOYSA-N 1 1 413.294 4.492 20 30 HIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000491330635 904541093 /nfs/dbraw/zinc/54/10/93/904541093.db2.gz UVJRMTBBXMZDPV-UHFFFAOYSA-N 1 1 416.525 4.287 20 30 HIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000491330635 904541106 /nfs/dbraw/zinc/54/11/06/904541106.db2.gz UVJRMTBBXMZDPV-UHFFFAOYSA-N 1 1 416.525 4.287 20 30 HIEDMO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000493046541 905002124 /nfs/dbraw/zinc/00/21/24/905002124.db2.gz DVTAOIRKDIIBLY-IBGZPJMESA-N 1 1 400.526 4.268 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000512487971 921194881 /nfs/dbraw/zinc/19/48/81/921194881.db2.gz BVHDFHLXHKDMIG-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000512487971 921194892 /nfs/dbraw/zinc/19/48/92/921194892.db2.gz BVHDFHLXHKDMIG-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495364987 906407036 /nfs/dbraw/zinc/40/70/36/906407036.db2.gz XGMDSDGZSQMGAZ-GFCCVEGCSA-N 1 1 423.460 4.466 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495364987 906407049 /nfs/dbraw/zinc/40/70/49/906407049.db2.gz XGMDSDGZSQMGAZ-GFCCVEGCSA-N 1 1 423.460 4.466 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000497094372 906803973 /nfs/dbraw/zinc/80/39/73/906803973.db2.gz DLCIAUFKMNXSAC-QFIPXVFZSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000497094372 906803979 /nfs/dbraw/zinc/80/39/79/906803979.db2.gz DLCIAUFKMNXSAC-QFIPXVFZSA-N 1 1 421.541 4.404 20 30 HIEDMO CCCn1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc2ccccc21 ZINC000512647781 921273566 /nfs/dbraw/zinc/27/35/66/921273566.db2.gz HEDMBJOKGZTQIZ-UHFFFAOYSA-N 1 1 401.514 4.169 20 30 HIEDMO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1F ZINC000512655576 921276486 /nfs/dbraw/zinc/27/64/86/921276486.db2.gz VNVMSNBUCDFFIU-AWEZNQCLSA-N 1 1 418.310 4.147 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621446 907100627 /nfs/dbraw/zinc/10/06/27/907100627.db2.gz VBLDJDQANIEFFG-ZDUSSCGKSA-N 1 1 415.419 4.475 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621446 907100641 /nfs/dbraw/zinc/10/06/41/907100641.db2.gz VBLDJDQANIEFFG-ZDUSSCGKSA-N 1 1 415.419 4.475 20 30 HIEDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512841615 921343965 /nfs/dbraw/zinc/34/39/65/921343965.db2.gz UULKAJIMFILREX-UHFFFAOYSA-N 1 1 413.449 4.436 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498715744 908141713 /nfs/dbraw/zinc/14/17/13/908141713.db2.gz OJEUCRFJMQBDCS-SIKLNZKXSA-N 1 1 422.529 4.203 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499194576 908548841 /nfs/dbraw/zinc/54/88/41/908548841.db2.gz PLFUBALSEHLXJN-NZQKXSOJSA-N 1 1 409.578 4.215 20 30 HIEDMO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499576904 908845056 /nfs/dbraw/zinc/84/50/56/908845056.db2.gz RPAAAQSSANZKPU-QFBILLFUSA-N 1 1 407.352 4.311 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769025 908910294 /nfs/dbraw/zinc/91/02/94/908910294.db2.gz ZHDQLXBWQYLCCQ-MNAPGUCWSA-N 1 1 403.526 4.113 20 30 HIEDMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499769025 908910301 /nfs/dbraw/zinc/91/03/01/908910301.db2.gz ZHDQLXBWQYLCCQ-MNAPGUCWSA-N 1 1 403.526 4.113 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000499941767 909048418 /nfs/dbraw/zinc/04/84/18/909048418.db2.gz VZSHMZDXVNTUNC-UHFFFAOYSA-N 1 1 419.422 4.154 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000501021550 910239686 /nfs/dbraw/zinc/23/96/86/910239686.db2.gz QYZSMKFJOSZQQW-HDICACEKSA-N 1 1 409.530 4.217 20 30 HIEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000501043305 910256978 /nfs/dbraw/zinc/25/69/78/910256978.db2.gz BZOOKHRCUHGFLA-INIZCTEOSA-N 1 1 404.274 4.364 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000513147736 921584659 /nfs/dbraw/zinc/58/46/59/921584659.db2.gz IZLUSJRZNCLKPO-UHFFFAOYSA-N 1 1 404.558 4.433 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501836865 910878278 /nfs/dbraw/zinc/87/82/78/910878278.db2.gz YNMSSTINLFKZDW-CTNGQTDRSA-N 1 1 401.599 4.205 20 30 HIEDMO C[C@@H](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000502178615 911103939 /nfs/dbraw/zinc/10/39/39/911103939.db2.gz QMUHDWMZVNKSJX-FQEVSTJZSA-N 1 1 402.542 4.268 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000502200569 911143489 /nfs/dbraw/zinc/14/34/89/911143489.db2.gz YCHZNHKHEBIJBB-UHFFFAOYSA-N 1 1 412.493 4.001 20 30 HIEDMO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(F)cncc1F ZINC000513251610 921659054 /nfs/dbraw/zinc/65/90/54/921659054.db2.gz CACMNDHORLXIDQ-LBPRGKRZSA-N 1 1 404.486 4.241 20 30 HIEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502539267 911544538 /nfs/dbraw/zinc/54/45/38/911544538.db2.gz GDXMACFJQYYLCZ-VWLOTQADSA-N 1 1 415.537 4.410 20 30 HIEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502539267 911544553 /nfs/dbraw/zinc/54/45/53/911544553.db2.gz GDXMACFJQYYLCZ-VWLOTQADSA-N 1 1 415.537 4.410 20 30 HIEDMO N#Cc1ccc(CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000502610428 911631271 /nfs/dbraw/zinc/63/12/71/911631271.db2.gz DWRWNIHCPMGIMB-UHFFFAOYSA-N 1 1 408.505 4.155 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C#N ZINC000503063636 912027933 /nfs/dbraw/zinc/02/79/33/912027933.db2.gz OGPRPLWKXIMNSN-VGSWGCGISA-N 1 1 422.577 4.200 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C#N ZINC000503063636 912027950 /nfs/dbraw/zinc/02/79/50/912027950.db2.gz OGPRPLWKXIMNSN-VGSWGCGISA-N 1 1 422.577 4.200 20 30 HIEDMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309391 914898967 /nfs/dbraw/zinc/89/89/67/914898967.db2.gz SXYAVKFAFNUJTR-AZGAKELHSA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+]2CCCC2)o1 ZINC000506388660 915006871 /nfs/dbraw/zinc/00/68/71/915006871.db2.gz ZIFGRLYIWKAUNF-HXUWFJFHSA-N 1 1 419.481 4.199 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000506571293 915219206 /nfs/dbraw/zinc/21/92/06/915219206.db2.gz RFCSNHSWSOMMCH-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000506571293 915219231 /nfs/dbraw/zinc/21/92/31/915219231.db2.gz RFCSNHSWSOMMCH-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000513406203 921774880 /nfs/dbraw/zinc/77/48/80/921774880.db2.gz OEIXTVQPUUDUFC-FDDCHVKYSA-N 1 1 407.533 4.486 20 30 HIEDMO CCOCCOc1ccc(Br)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000507225071 915979166 /nfs/dbraw/zinc/97/91/66/915979166.db2.gz BFKDHLRFIZJBAE-UHFFFAOYSA-N 1 1 403.320 4.368 20 30 HIEDMO CCOCCOc1ccc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507225071 915979180 /nfs/dbraw/zinc/97/91/80/915979180.db2.gz BFKDHLRFIZJBAE-UHFFFAOYSA-N 1 1 403.320 4.368 20 30 HIEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1OCCCC#N ZINC000507701450 916484523 /nfs/dbraw/zinc/48/45/23/916484523.db2.gz FPFFMXWDRWFKFA-UHFFFAOYSA-N 1 1 420.509 4.438 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000508083136 916901249 /nfs/dbraw/zinc/90/12/49/916901249.db2.gz AMFCYKWMZSEEOC-FQEVSTJZSA-N 1 1 408.550 4.028 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000508243646 917061061 /nfs/dbraw/zinc/06/10/61/917061061.db2.gz RVKYPEQDBIFMED-OALUTQOASA-N 1 1 406.486 4.107 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431389 917219430 /nfs/dbraw/zinc/21/94/30/917219430.db2.gz QPSJUXDXRNKXLP-HKUYNNGSSA-N 1 1 422.495 4.424 20 30 HIEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508464446 917247770 /nfs/dbraw/zinc/24/77/70/917247770.db2.gz MIFPXWORBIPJFJ-YADHBBJMSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508474960 917258708 /nfs/dbraw/zinc/25/87/08/917258708.db2.gz WYOFJLXQQGDKBQ-IFMALSPDSA-N 1 1 403.530 4.215 20 30 HIEDMO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508480864 917265005 /nfs/dbraw/zinc/26/50/05/917265005.db2.gz LAHJQTNFCFJJEV-INIZCTEOSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508499145 917283600 /nfs/dbraw/zinc/28/36/00/917283600.db2.gz XNCHRZORDWXURT-KSEOMHKRSA-N 1 1 409.578 4.053 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508502970 917286560 /nfs/dbraw/zinc/28/65/60/917286560.db2.gz DEXLICBEPZBQQX-NFBKMPQASA-N 1 1 421.589 4.113 20 30 HIEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000508630805 917396690 /nfs/dbraw/zinc/39/66/90/917396690.db2.gz HMSANEKGPKTREU-UHFFFAOYSA-N 1 1 411.465 4.190 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508730269 917491854 /nfs/dbraw/zinc/49/18/54/917491854.db2.gz OCMUSCITJVVVMD-AUSIDOKSSA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508745552 917503834 /nfs/dbraw/zinc/50/38/34/917503834.db2.gz GDLRFMKYMKSENI-VXKWHMMOSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508798446 917554237 /nfs/dbraw/zinc/55/42/37/917554237.db2.gz SSAUFOFHWNEBOO-WOJBJXKFSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508829211 917581865 /nfs/dbraw/zinc/58/18/65/917581865.db2.gz SIVMGGSUKMHLIA-LEWJYISDSA-N 1 1 423.605 4.154 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508850913 917604103 /nfs/dbraw/zinc/60/41/03/917604103.db2.gz WXZBZGRALQFEED-TZIWHRDSSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508884734 917637848 /nfs/dbraw/zinc/63/78/48/917637848.db2.gz JEFOICTZIIOZTD-UNMCSNQZSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508936649 917693075 /nfs/dbraw/zinc/69/30/75/917693075.db2.gz SLMLNAOAPRVTTQ-MGPUTAFESA-N 1 1 415.944 4.377 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508936918 917693597 /nfs/dbraw/zinc/69/35/97/917693597.db2.gz APWYPIJBAVQJPK-KNQAVFIVSA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000509013246 917765584 /nfs/dbraw/zinc/76/55/84/917765584.db2.gz SXUGIENWLAYETN-QGZVFWFLSA-N 1 1 409.559 4.084 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000509500971 918146789 /nfs/dbraw/zinc/14/67/89/918146789.db2.gz BXWMVAKRXIVCJX-CRAIPNDOSA-N 1 1 406.555 4.118 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2cc(C#N)ccc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509601284 918252457 /nfs/dbraw/zinc/25/24/57/918252457.db2.gz OOAKRKVRNRAMIJ-OXJNMPFZSA-N 1 1 405.468 4.220 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000510050936 918621010 /nfs/dbraw/zinc/62/10/10/918621010.db2.gz RCAVXRBNMUHITL-BGYRXZFFSA-N 1 1 401.535 4.285 20 30 HIEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000510247773 918784601 /nfs/dbraw/zinc/78/46/01/918784601.db2.gz AIMABLBAYAGYET-UHFFFAOYSA-N 1 1 402.546 4.099 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000510636684 919076456 /nfs/dbraw/zinc/07/64/56/919076456.db2.gz CLIPCKCFKKYRHC-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510745851 919195426 /nfs/dbraw/zinc/19/54/26/919195426.db2.gz AZDXNGZLEBCYAQ-UHFFFAOYSA-N 1 1 422.573 4.005 20 30 HIEDMO C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000511291872 919888589 /nfs/dbraw/zinc/88/85/89/919888589.db2.gz WJJVVFHOXQLXBE-GOSISDBHSA-N 1 1 404.514 4.104 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000511322691 919914099 /nfs/dbraw/zinc/91/40/99/919914099.db2.gz RYGXNBSLMMBARL-SFTDATJTSA-N 1 1 404.514 4.080 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000511446551 920055791 /nfs/dbraw/zinc/05/57/91/920055791.db2.gz VNBDOXCRXSGWMN-UHFFFAOYSA-N 1 1 405.517 4.100 20 30 HIEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615007 920270256 /nfs/dbraw/zinc/27/02/56/920270256.db2.gz FWDNBQQGHGOZMW-RTWAWAEBSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615007 920270272 /nfs/dbraw/zinc/27/02/72/920270272.db2.gz FWDNBQQGHGOZMW-RTWAWAEBSA-N 1 1 400.567 4.046 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658313 920322455 /nfs/dbraw/zinc/32/24/55/920322455.db2.gz XGOSGHZXSTVFJS-NQIIRXRSSA-N 1 1 402.460 4.379 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000511977305 920747201 /nfs/dbraw/zinc/74/72/01/920747201.db2.gz GAJATWZFPYXOJW-UHFFFAOYSA-N 1 1 422.548 4.070 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512179917 920919349 /nfs/dbraw/zinc/91/93/49/920919349.db2.gz NDNLAMCFXDHADU-MRXNPFEDSA-N 1 1 412.704 4.170 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513541732 921880816 /nfs/dbraw/zinc/88/08/16/921880816.db2.gz VFKYBMUWSBHIQC-FQEVSTJZSA-N 1 1 405.542 4.379 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513662343 921984264 /nfs/dbraw/zinc/98/42/64/921984264.db2.gz ZSCKOKXUGOMMIU-QFQXNSOFSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513662343 921984274 /nfs/dbraw/zinc/98/42/74/921984274.db2.gz ZSCKOKXUGOMMIU-QFQXNSOFSA-N 1 1 409.489 4.111 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000514046207 922366864 /nfs/dbraw/zinc/36/68/64/922366864.db2.gz NZKTVYULIDQGFL-DHIUTWEWSA-N 1 1 406.505 4.036 20 30 HIEDMO CCC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000515479717 923127640 /nfs/dbraw/zinc/12/76/40/923127640.db2.gz GFXVFGUTUDSFRM-UHFFFAOYSA-N 1 1 403.448 4.361 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217531 923606066 /nfs/dbraw/zinc/60/60/66/923606066.db2.gz MNYDXVJNZUFURO-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217531 923606075 /nfs/dbraw/zinc/60/60/75/923606075.db2.gz MNYDXVJNZUFURO-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000517119497 924008060 /nfs/dbraw/zinc/00/80/60/924008060.db2.gz XALBSPNSSVJJPG-MRXNPFEDSA-N 1 1 403.592 4.233 20 30 HIEDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000517119496 924008436 /nfs/dbraw/zinc/00/84/36/924008436.db2.gz XALBSPNSSVJJPG-INIZCTEOSA-N 1 1 403.592 4.233 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517500861 924231804 /nfs/dbraw/zinc/23/18/04/924231804.db2.gz SLFVFCMCQBVSJZ-UHFFFAOYSA-N 1 1 424.589 4.070 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654596 926762159 /nfs/dbraw/zinc/76/21/59/926762159.db2.gz ZJVBZDRUTAXGSZ-AVRDEDQJSA-N 1 1 412.493 4.311 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C(F)(F)F)C1 ZINC000518406464 927247515 /nfs/dbraw/zinc/24/75/15/927247515.db2.gz YMUVLMOQNSOTGD-VXGBXAGGSA-N 1 1 405.367 4.007 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1nnc2n1CCCCC2 ZINC000518767426 927482841 /nfs/dbraw/zinc/48/28/41/927482841.db2.gz AEICNMZKWFJMTH-GOSISDBHSA-N 1 1 401.514 4.306 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1C#N ZINC000518813075 927509600 /nfs/dbraw/zinc/50/96/00/927509600.db2.gz ZBAXVTPKZGOITE-UHFFFAOYSA-N 1 1 412.603 4.281 20 30 HIEDMO CC(C)C[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000519201469 927824459 /nfs/dbraw/zinc/82/44/59/927824459.db2.gz NCGSZNRNPXPTOJ-DEOSSOPVSA-N 1 1 405.542 4.305 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000519486257 927982616 /nfs/dbraw/zinc/98/26/16/927982616.db2.gz WDNMYJLMOZGKDQ-UHFFFAOYSA-N 1 1 413.512 4.370 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060195 /nfs/dbraw/zinc/06/01/95/928060195.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 1 1 424.614 4.146 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000520778478 928812987 /nfs/dbraw/zinc/81/29/87/928812987.db2.gz DINNROOVRDOFIQ-RSXGOPAZSA-N 1 1 417.553 4.086 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000521801448 929462218 /nfs/dbraw/zinc/46/22/18/929462218.db2.gz WZYJVOLPKCAMHZ-FGZHOGPDSA-N 1 1 419.525 4.432 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000521801448 929462231 /nfs/dbraw/zinc/46/22/31/929462231.db2.gz WZYJVOLPKCAMHZ-FGZHOGPDSA-N 1 1 419.525 4.432 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000524908548 929883935 /nfs/dbraw/zinc/88/39/35/929883935.db2.gz YRTQXLCTWMTVJX-HXUWFJFHSA-N 1 1 402.583 4.242 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399770 930219499 /nfs/dbraw/zinc/21/94/99/930219499.db2.gz BEDPMJBKELWCBE-FQEVSTJZSA-N 1 1 422.598 4.097 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1OC ZINC000530856450 930841488 /nfs/dbraw/zinc/84/14/88/930841488.db2.gz SQXNPGBGHPWJAZ-MRXNPFEDSA-N 1 1 410.308 4.401 20 30 HIEDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000531391221 931041884 /nfs/dbraw/zinc/04/18/84/931041884.db2.gz ZQYSUFSIOOSOAA-REWPJTCUSA-N 1 1 407.558 4.378 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000531587877 931111550 /nfs/dbraw/zinc/11/15/50/931111550.db2.gz KFDHULGELIKSCH-RHSMWYFYSA-N 1 1 424.408 4.316 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000531587877 931111552 /nfs/dbraw/zinc/11/15/52/931111552.db2.gz KFDHULGELIKSCH-RHSMWYFYSA-N 1 1 424.408 4.316 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Br)c(Br)c2)CC1 ZINC000532321909 931396910 /nfs/dbraw/zinc/39/69/10/931396910.db2.gz WISDDAFHIXCURU-UHFFFAOYSA-N 1 1 402.174 4.342 20 30 HIEDMO C=C(C)C[N@@H+](CC)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000532460477 931444748 /nfs/dbraw/zinc/44/47/48/931444748.db2.gz DIKUBEYWUMBSTQ-UHFFFAOYSA-N 1 1 415.129 4.258 20 30 HIEDMO C=C(C)C[N@H+](CC)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000532460477 931444749 /nfs/dbraw/zinc/44/47/49/931444749.db2.gz DIKUBEYWUMBSTQ-UHFFFAOYSA-N 1 1 415.129 4.258 20 30 HIEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560903 931524628 /nfs/dbraw/zinc/52/46/28/931524628.db2.gz ZPWWMBKERWJEBC-RBUKOAKNSA-N 1 1 416.525 4.082 20 30 HIEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560903 931524639 /nfs/dbraw/zinc/52/46/39/931524639.db2.gz ZPWWMBKERWJEBC-RBUKOAKNSA-N 1 1 416.525 4.082 20 30 HIEDMO COC1CCC([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000532582117 931540326 /nfs/dbraw/zinc/54/03/26/931540326.db2.gz WEFPOQPVQXRHKJ-UHFFFAOYSA-N 1 1 400.567 4.310 20 30 HIEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000532759191 931624305 /nfs/dbraw/zinc/62/43/05/931624305.db2.gz ZSXCPUXTNKOCSO-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2ccccc2F)c1C#N ZINC000532920374 931694747 /nfs/dbraw/zinc/69/47/47/931694747.db2.gz HKSDNWDVEVGLMC-UHFFFAOYSA-N 1 1 408.477 4.218 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000532964570 931715823 /nfs/dbraw/zinc/71/58/23/931715823.db2.gz UEAQNMJUZKRPIL-HXUWFJFHSA-N 1 1 401.470 4.164 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000532964569 931715910 /nfs/dbraw/zinc/71/59/10/931715910.db2.gz UEAQNMJUZKRPIL-FQEVSTJZSA-N 1 1 401.470 4.164 20 30 HIEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](C[C@@H](C)C#N)C2CC2)c2ccccc2)cc1 ZINC000533139188 931779838 /nfs/dbraw/zinc/77/98/38/931779838.db2.gz POOUPEJEKSIKPF-WMZHIEFXSA-N 1 1 411.571 4.029 20 30 HIEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](C[C@@H](C)C#N)C2CC2)c2ccccc2)cc1 ZINC000533139188 931779844 /nfs/dbraw/zinc/77/98/44/931779844.db2.gz POOUPEJEKSIKPF-WMZHIEFXSA-N 1 1 411.571 4.029 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000533234114 931815306 /nfs/dbraw/zinc/81/53/06/931815306.db2.gz QDFIJULELZMMLQ-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000533234114 931815308 /nfs/dbraw/zinc/81/53/08/931815308.db2.gz QDFIJULELZMMLQ-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccccc1C ZINC000533238616 931816295 /nfs/dbraw/zinc/81/62/95/931816295.db2.gz OVRYUFKMOWPCAC-UHFFFAOYSA-N 1 1 412.921 4.199 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H](C)c2ccccc2)c1C#N ZINC000533263460 931822944 /nfs/dbraw/zinc/82/29/44/931822944.db2.gz GLTKWBAFJSWDGZ-KRWDZBQOSA-N 1 1 404.514 4.292 20 30 HIEDMO COc1ccccc1-c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000533285140 931827558 /nfs/dbraw/zinc/82/75/58/931827558.db2.gz PYUYUMIZLSWVLV-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO COc1ccccc1-c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000533285140 931827559 /nfs/dbraw/zinc/82/75/59/931827559.db2.gz PYUYUMIZLSWVLV-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1 ZINC000533402195 931859419 /nfs/dbraw/zinc/85/94/19/931859419.db2.gz ZRDLOPQJEXHRJM-MJGOQNOKSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1 ZINC000533402195 931859422 /nfs/dbraw/zinc/85/94/22/931859422.db2.gz ZRDLOPQJEXHRJM-MJGOQNOKSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1 ZINC000533402194 931859592 /nfs/dbraw/zinc/85/95/92/931859592.db2.gz ZRDLOPQJEXHRJM-IEBWSBKVSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)cc1 ZINC000533402194 931859594 /nfs/dbraw/zinc/85/95/94/931859594.db2.gz ZRDLOPQJEXHRJM-IEBWSBKVSA-N 1 1 409.555 4.375 20 30 HIEDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424017 931863492 /nfs/dbraw/zinc/86/34/92/931863492.db2.gz HKHDPNBPINBFRN-UTKZUKDTSA-N 1 1 409.555 4.215 20 30 HIEDMO Cc1cccc(NC2CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)c1 ZINC000533529782 931895294 /nfs/dbraw/zinc/89/52/94/931895294.db2.gz OLDNTLCWCIEKJS-UHFFFAOYSA-N 1 1 404.558 4.435 20 30 HIEDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534378979 932406501 /nfs/dbraw/zinc/40/65/01/932406501.db2.gz MJLBYRMEVWUFJO-CQSZACIVSA-N 1 1 402.589 4.155 20 30 HIEDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534378979 932406503 /nfs/dbraw/zinc/40/65/03/932406503.db2.gz MJLBYRMEVWUFJO-CQSZACIVSA-N 1 1 402.589 4.155 20 30 HIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)nc2c1 ZINC000534951634 932855006 /nfs/dbraw/zinc/85/50/06/932855006.db2.gz XFHKOXXNNIWSCD-INIZCTEOSA-N 1 1 407.905 4.215 20 30 HIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)nc2c1 ZINC000534951634 932855008 /nfs/dbraw/zinc/85/50/08/932855008.db2.gz XFHKOXXNNIWSCD-INIZCTEOSA-N 1 1 407.905 4.215 20 30 HIEDMO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000535118763 932935165 /nfs/dbraw/zinc/93/51/65/932935165.db2.gz UMMQTMQIQYHVNO-ZDUSSCGKSA-N 1 1 402.589 4.013 20 30 HIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629393 933274489 /nfs/dbraw/zinc/27/44/89/933274489.db2.gz ZOTDJCDQDSZXAB-RTBURBONSA-N 1 1 411.521 4.280 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535675141 933323081 /nfs/dbraw/zinc/32/30/81/933323081.db2.gz GRLKTMGPHINKOD-DJJJIMSYSA-N 1 1 404.848 4.304 20 30 HIEDMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684315 933339987 /nfs/dbraw/zinc/33/99/87/933339987.db2.gz UKIXPQJLDXQBIL-DHUIEDIVSA-N 1 1 414.912 4.404 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000562580128 945102893 /nfs/dbraw/zinc/10/28/93/945102893.db2.gz YBJKWABWGHFXHL-RXVVDRJESA-N 1 1 404.432 4.272 20 30 HIEDMO N#Cc1cccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1F ZINC000537536631 938318180 /nfs/dbraw/zinc/31/81/80/938318180.db2.gz OVSHGBQIEQVAKE-UHFFFAOYSA-N 1 1 408.395 4.166 20 30 HIEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 ZINC000537559658 938323904 /nfs/dbraw/zinc/32/39/04/938323904.db2.gz RECRDVZZEBPCQQ-UHFFFAOYSA-N 1 1 414.465 4.103 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000537725688 938363601 /nfs/dbraw/zinc/36/36/01/938363601.db2.gz XSMBAALIDANMGI-MAUKXSAKSA-N 1 1 420.351 4.302 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000537725688 938363607 /nfs/dbraw/zinc/36/36/07/938363607.db2.gz XSMBAALIDANMGI-MAUKXSAKSA-N 1 1 420.351 4.302 20 30 HIEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000538187922 938543727 /nfs/dbraw/zinc/54/37/27/938543727.db2.gz KDDUQETWCLEEAD-QGZVFWFLSA-N 1 1 413.493 4.057 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000538752254 938702666 /nfs/dbraw/zinc/70/26/66/938702666.db2.gz SXXGVDCUAGMSRW-MRXNPFEDSA-N 1 1 411.384 4.186 20 30 HIEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753049 938702701 /nfs/dbraw/zinc/70/27/01/938702701.db2.gz ILGAEMNHCUKGGP-FQEVSTJZSA-N 1 1 409.530 4.463 20 30 HIEDMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000539278785 938832452 /nfs/dbraw/zinc/83/24/52/938832452.db2.gz HDWOIAIHJLWFOB-OCCSQVGLSA-N 1 1 400.338 4.210 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000539827117 938948331 /nfs/dbraw/zinc/94/83/31/938948331.db2.gz ACBYBRBMHJXQBN-UHFFFAOYSA-N 1 1 406.324 4.125 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588982 939561345 /nfs/dbraw/zinc/56/13/45/939561345.db2.gz SMMMVBOTDIQWLD-LJQANCHMSA-N 1 1 419.485 4.078 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1c(C)noc1C ZINC000541638032 939580910 /nfs/dbraw/zinc/58/09/10/939580910.db2.gz FBEJQALNURTRFF-HXUWFJFHSA-N 1 1 405.502 4.250 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966318 939664722 /nfs/dbraw/zinc/66/47/22/939664722.db2.gz XEGFRZPDNOMGHQ-QUCCMNQESA-N 1 1 422.495 4.424 20 30 HIEDMO Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000542529850 939838251 /nfs/dbraw/zinc/83/82/51/939838251.db2.gz VNYPNUMDZSIEJL-FQEVSTJZSA-N 1 1 419.916 4.416 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529812 939838303 /nfs/dbraw/zinc/83/83/03/939838303.db2.gz UEIHPWCDWZZWQL-GUDVDZBRSA-N 1 1 414.619 4.119 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629180 939850321 /nfs/dbraw/zinc/85/03/21/939850321.db2.gz XLUQASXVWOFGIL-IEBWSBKVSA-N 1 1 401.507 4.166 20 30 HIEDMO Cc1sc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000543504343 940088243 /nfs/dbraw/zinc/08/82/43/940088243.db2.gz MEKRDNYRWJNIOG-AWEZNQCLSA-N 1 1 415.950 4.078 20 30 HIEDMO N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)[nH]1 ZINC000545671677 940579904 /nfs/dbraw/zinc/57/99/04/940579904.db2.gz IXFZPZJULWTIQS-UHFFFAOYSA-N 1 1 411.465 4.103 20 30 HIEDMO C=CC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000546099199 940698886 /nfs/dbraw/zinc/69/88/86/940698886.db2.gz KKPFKRDTWLSFRU-LBPRGKRZSA-N 1 1 408.453 4.195 20 30 HIEDMO C=CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000546099199 940698890 /nfs/dbraw/zinc/69/88/90/940698890.db2.gz KKPFKRDTWLSFRU-LBPRGKRZSA-N 1 1 408.453 4.195 20 30 HIEDMO C=CCCOCCCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000547188887 941025528 /nfs/dbraw/zinc/02/55/28/941025528.db2.gz HPOFQGXSRLUBOC-UHFFFAOYSA-N 1 1 418.969 4.447 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000549171732 941168209 /nfs/dbraw/zinc/16/82/09/941168209.db2.gz JGWZBHWVQSQKGV-LJQANCHMSA-N 1 1 423.479 4.386 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000549171732 941168211 /nfs/dbraw/zinc/16/82/11/941168211.db2.gz JGWZBHWVQSQKGV-LJQANCHMSA-N 1 1 423.479 4.386 20 30 HIEDMO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549234297 941172836 /nfs/dbraw/zinc/17/28/36/941172836.db2.gz QBJGWVKXSCUAQB-ZNBHLAFESA-N 1 1 408.011 4.472 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549290813 941177379 /nfs/dbraw/zinc/17/73/79/941177379.db2.gz SLJQBKJBPMMUST-LEWJYISDSA-N 1 1 408.594 4.315 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549684611 941204459 /nfs/dbraw/zinc/20/44/59/941204459.db2.gz ZZDDUJKODDLWSC-GMAHTHKFSA-N 1 1 421.589 4.024 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000550526344 941335390 /nfs/dbraw/zinc/33/53/90/941335390.db2.gz XDZVIAYTIBDJQI-HNNXBMFYSA-N 1 1 414.550 4.235 20 30 HIEDMO Cc1sc(C2([NH2+][C@H](C)C(=O)NC3(C#N)CCC3)CCC2)nc1-c1ccccc1F ZINC000550526045 941335577 /nfs/dbraw/zinc/33/55/77/941335577.db2.gz VZDIUIKSDVXXCI-CQSZACIVSA-N 1 1 412.534 4.177 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cscc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288909 941443883 /nfs/dbraw/zinc/44/38/83/941443883.db2.gz BWWOJHJYCGTZPB-KBXCAEBGSA-N 1 1 407.461 4.451 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000552844797 941785884 /nfs/dbraw/zinc/78/58/84/941785884.db2.gz UMIUKIIKTROWOY-UHFFFAOYSA-N 1 1 413.525 4.472 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000552844797 941785892 /nfs/dbraw/zinc/78/58/92/941785892.db2.gz UMIUKIIKTROWOY-UHFFFAOYSA-N 1 1 413.525 4.472 20 30 HIEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2sccc2C)cc1 ZINC000553025182 941818998 /nfs/dbraw/zinc/81/89/98/941818998.db2.gz UJBSXIBNLOWYKI-UHFFFAOYSA-N 1 1 422.554 4.415 20 30 HIEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2sccc2C)cc1 ZINC000553025182 941819000 /nfs/dbraw/zinc/81/90/00/941819000.db2.gz UJBSXIBNLOWYKI-UHFFFAOYSA-N 1 1 422.554 4.415 20 30 HIEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553041754 941823109 /nfs/dbraw/zinc/82/31/09/941823109.db2.gz GTVUMNBJDRRNLV-HXUWFJFHSA-N 1 1 416.997 4.151 20 30 HIEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208044 941849393 /nfs/dbraw/zinc/84/93/93/941849393.db2.gz MZUIFDIZVZJQAQ-ROUUACIJSA-N 1 1 416.997 4.055 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSc3cccc(Cl)c3)CC2)cc1 ZINC000553225905 941852832 /nfs/dbraw/zinc/85/28/32/941852832.db2.gz QHSCADLRUGMFFQ-UHFFFAOYSA-N 1 1 413.974 4.428 20 30 HIEDMO CCOC(=O)C1CCC([N@@H+](CC)CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000554855447 942290848 /nfs/dbraw/zinc/29/08/48/942290848.db2.gz BQPJZEICRZRBLZ-UHFFFAOYSA-N 1 1 409.530 4.181 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000555222357 942435880 /nfs/dbraw/zinc/43/58/80/942435880.db2.gz FJLKUHJVKCVFPH-NZQKXSOJSA-N 1 1 423.605 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000555253504 942447838 /nfs/dbraw/zinc/44/78/38/942447838.db2.gz IRZLVAXHWIFJFF-GOSISDBHSA-N 1 1 408.575 4.169 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000555256016 942448976 /nfs/dbraw/zinc/44/89/76/942448976.db2.gz SAYMJKSBUJBEEK-RTWAWAEBSA-N 1 1 411.594 4.323 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000555441315 942542590 /nfs/dbraw/zinc/54/25/90/942542590.db2.gz QPKGBSMRBLPNRL-LJQANCHMSA-N 1 1 420.586 4.095 20 30 HIEDMO CCC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(C#N)cc1 ZINC000555481586 942583668 /nfs/dbraw/zinc/58/36/68/942583668.db2.gz LERSSGZEOBBGQC-UHFFFAOYSA-N 1 1 405.523 4.132 20 30 HIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000555653402 942689454 /nfs/dbraw/zinc/68/94/54/942689454.db2.gz BXOMJBJEPRWCQO-UHFFFAOYSA-N 1 1 417.962 4.491 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1OCCCC#N ZINC000556618062 942918156 /nfs/dbraw/zinc/91/81/56/942918156.db2.gz VQATZOABWUVYMN-UHFFFAOYSA-N 1 1 415.484 4.368 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000556893098 942954069 /nfs/dbraw/zinc/95/40/69/942954069.db2.gz PKRJMPBCRAMVCC-FQEVSTJZSA-N 1 1 405.517 4.100 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000556893100 942954345 /nfs/dbraw/zinc/95/43/45/942954345.db2.gz PKRJMPBCRAMVCC-HXUWFJFHSA-N 1 1 405.517 4.100 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(Cc3cccnc3)CC2)ccc1Cl ZINC000557186290 943043753 /nfs/dbraw/zinc/04/37/53/943043753.db2.gz YQRZZZRBEMYTCG-UHFFFAOYSA-N 1 1 410.949 4.245 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000558426355 943557070 /nfs/dbraw/zinc/55/70/70/943557070.db2.gz KCCYIGZRILLFSE-VWLOTQADSA-N 1 1 418.516 4.030 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000558447450 943561092 /nfs/dbraw/zinc/56/10/92/943561092.db2.gz DUOITXNVCGQLEY-UHFFFAOYSA-N 1 1 418.545 4.057 20 30 HIEDMO N#Cc1nnc2ccccc2c1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000558526831 943589325 /nfs/dbraw/zinc/58/93/25/943589325.db2.gz UTNBAAKKHJVCET-UHFFFAOYSA-N 1 1 410.481 4.233 20 30 HIEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000558567632 943602260 /nfs/dbraw/zinc/60/22/60/943602260.db2.gz ZQDAVYIVSWTZBS-UHFFFAOYSA-N 1 1 420.431 4.204 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000559000719 943797904 /nfs/dbraw/zinc/79/79/04/943797904.db2.gz AXWROXMXBUCZEB-SIKLNZKXSA-N 1 1 409.553 4.037 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)on2)c1 ZINC000559996761 944118438 /nfs/dbraw/zinc/11/84/38/944118438.db2.gz QEVLUMDBPFOZDW-OAQYLSRUSA-N 1 1 420.900 4.434 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579328 944261328 /nfs/dbraw/zinc/26/13/28/944261328.db2.gz GHYNVJDSOMCXBI-ZJSXRUAMSA-N 1 1 417.528 4.242 20 30 HIEDMO CC1(C)CCC[N@@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000561305515 944544870 /nfs/dbraw/zinc/54/48/70/944544870.db2.gz VDWQXZRDYFNFEE-UHFFFAOYSA-N 1 1 416.997 4.056 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000562047602 944910681 /nfs/dbraw/zinc/91/06/81/944910681.db2.gz YBVSXOKUAGHTPJ-HOYKHHGWSA-N 1 1 421.566 4.347 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000562047602 944910689 /nfs/dbraw/zinc/91/06/89/944910689.db2.gz YBVSXOKUAGHTPJ-HOYKHHGWSA-N 1 1 421.566 4.347 20 30 HIEDMO CC1(C)CCCc2sc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc21 ZINC000564259089 945476342 /nfs/dbraw/zinc/47/63/42/945476342.db2.gz DYWLIAJNRGWYPZ-UHFFFAOYSA-N 1 1 423.586 4.368 20 30 HIEDMO CC1(C)CCCc2sc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc21 ZINC000564259089 945476355 /nfs/dbraw/zinc/47/63/55/945476355.db2.gz DYWLIAJNRGWYPZ-UHFFFAOYSA-N 1 1 423.586 4.368 20 30 HIEDMO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000564603267 945700608 /nfs/dbraw/zinc/70/06/08/945700608.db2.gz HLDWZHDBZHHLNX-HXUWFJFHSA-N 1 1 407.533 4.393 20 30 HIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1OCC(F)F ZINC000564757694 945750538 /nfs/dbraw/zinc/75/05/38/945750538.db2.gz WZITWWIGJZOCMD-UHFFFAOYSA-N 1 1 402.441 4.384 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565332450 945813749 /nfs/dbraw/zinc/81/37/49/945813749.db2.gz QSEZDRWBCPIKOR-IRLDBZIGSA-N 1 1 419.573 4.332 20 30 HIEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1nc(C#N)cs1)CC2 ZINC000566590332 946050633 /nfs/dbraw/zinc/05/06/33/946050633.db2.gz QTWJHIAKUJEILM-UHFFFAOYSA-N 1 1 420.538 4.202 20 30 HIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1nc(C#N)cs1)CC2 ZINC000566590332 946050646 /nfs/dbraw/zinc/05/06/46/946050646.db2.gz QTWJHIAKUJEILM-UHFFFAOYSA-N 1 1 420.538 4.202 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ncccc2N(C)C)cc1OCC ZINC000567524303 946359581 /nfs/dbraw/zinc/35/95/81/946359581.db2.gz IUQLCVHIFHRYKK-UHFFFAOYSA-N 1 1 420.351 4.163 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nc4ccccc4cc3Cl)CC2)cc1 ZINC000568332425 946512901 /nfs/dbraw/zinc/51/29/01/946512901.db2.gz WRYLPDMJCXOOFG-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nc4ccccc4cc3Cl)CC2)cc1 ZINC000568332425 946512912 /nfs/dbraw/zinc/51/29/12/946512912.db2.gz WRYLPDMJCXOOFG-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000568640704 946627875 /nfs/dbraw/zinc/62/78/75/946627875.db2.gz GNHXBXVADTZJNV-UONOGXRCSA-N 1 1 402.589 4.408 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H](C)c1nccs1 ZINC000568640704 946627900 /nfs/dbraw/zinc/62/79/00/946627900.db2.gz GNHXBXVADTZJNV-UONOGXRCSA-N 1 1 402.589 4.408 20 30 HIEDMO COc1ccc([C@H](CCC#N)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000568701974 946667794 /nfs/dbraw/zinc/66/77/94/946667794.db2.gz XGDFIIIHOZVTJI-QHCPKHFHSA-N 1 1 403.482 4.353 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(Br)cc3C#N)c2)CCO1 ZINC000569058956 946814020 /nfs/dbraw/zinc/81/40/20/946814020.db2.gz WDRNMFVZVKSWKS-HNNXBMFYSA-N 1 1 400.320 4.154 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(Br)cc3C#N)c2)CCO1 ZINC000569058956 946814022 /nfs/dbraw/zinc/81/40/22/946814022.db2.gz WDRNMFVZVKSWKS-HNNXBMFYSA-N 1 1 400.320 4.154 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000569941843 947046900 /nfs/dbraw/zinc/04/69/00/947046900.db2.gz FNVNPPDAFUDPQJ-UHFFFAOYSA-N 1 1 406.578 4.175 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000570220994 947148892 /nfs/dbraw/zinc/14/88/92/947148892.db2.gz YQMIAQNWCICLBG-ICSRJNTNSA-N 1 1 407.533 4.392 20 30 HIEDMO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000570228186 947150142 /nfs/dbraw/zinc/15/01/42/947150142.db2.gz KYOQNVPTSWBVDE-JOCHJYFZSA-N 1 1 409.578 4.087 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000572169538 947855201 /nfs/dbraw/zinc/85/52/01/947855201.db2.gz XVHMCXSFJBBKLG-LJQANCHMSA-N 1 1 407.587 4.217 20 30 HIEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCc1ccc(Br)cc1 ZINC000572553974 947944379 /nfs/dbraw/zinc/94/43/79/947944379.db2.gz OTAXFZJQPIUJLC-UHFFFAOYSA-N 1 1 401.304 4.430 20 30 HIEDMO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000573047551 948069222 /nfs/dbraw/zinc/06/92/22/948069222.db2.gz QBYSFYGEVMEWDR-OFNKIYASSA-N 1 1 416.573 4.112 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000574002840 948346641 /nfs/dbraw/zinc/34/66/41/948346641.db2.gz PDNPKYIFMCFCJP-LBPRGKRZSA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000574002840 948346648 /nfs/dbraw/zinc/34/66/48/948346648.db2.gz PDNPKYIFMCFCJP-LBPRGKRZSA-N 1 1 400.338 4.125 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1Cl ZINC000575021817 948574529 /nfs/dbraw/zinc/57/45/29/948574529.db2.gz MEVVKLGEPBLERQ-UHFFFAOYSA-N 1 1 406.917 4.431 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1Cl ZINC000575021817 948574534 /nfs/dbraw/zinc/57/45/34/948574534.db2.gz MEVVKLGEPBLERQ-UHFFFAOYSA-N 1 1 406.917 4.431 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575089834 948589169 /nfs/dbraw/zinc/58/91/69/948589169.db2.gz OVWULYFDBUTDDQ-WMZOPIPTSA-N 1 1 422.454 4.482 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3cccc(Br)c3C2)cc1Cl ZINC000575363150 948653658 /nfs/dbraw/zinc/65/36/58/948653658.db2.gz IIOVYMCHGMJTOB-UHFFFAOYSA-N 1 1 418.722 4.361 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3cccc(Br)c3C2)cc1Cl ZINC000575363150 948653665 /nfs/dbraw/zinc/65/36/65/948653665.db2.gz IIOVYMCHGMJTOB-UHFFFAOYSA-N 1 1 418.722 4.361 20 30 HIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 ZINC000328603288 569416953 /nfs/dbraw/zinc/41/69/53/569416953.db2.gz FJTWXRXESFEFHI-IBGZPJMESA-N 1 1 415.497 4.016 20 30 HIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627902 719062479 /nfs/dbraw/zinc/06/24/79/719062479.db2.gz RLKGZHATKIQSCT-DYESRHJHSA-N 1 1 403.917 4.256 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722111 720336366 /nfs/dbraw/zinc/33/63/66/720336366.db2.gz FBBOCRZIRDAVQN-JKSUJKDBSA-N 1 1 424.282 4.053 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722111 720336373 /nfs/dbraw/zinc/33/63/73/720336373.db2.gz FBBOCRZIRDAVQN-JKSUJKDBSA-N 1 1 424.282 4.053 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]21 ZINC001165020611 721829215 /nfs/dbraw/zinc/82/92/15/721829215.db2.gz CTQHISDORWMBTO-PTSWNOGYSA-N 1 1 416.356 4.392 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cnc1Cl ZINC001164951321 722017415 /nfs/dbraw/zinc/01/74/15/722017415.db2.gz AHGFERHCXAICIF-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001165004250 722259191 /nfs/dbraw/zinc/25/91/91/722259191.db2.gz PPADCAPHMRAVNS-XMMPIXPASA-N 1 1 424.976 4.461 20 30 HIEDMO CCc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007459910 845338312 /nfs/dbraw/zinc/33/83/12/845338312.db2.gz VOBNGAYTONQAHR-UHFFFAOYSA-N 1 1 404.514 4.251 20 30 HIEDMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007459910 845338322 /nfs/dbraw/zinc/33/83/22/845338322.db2.gz VOBNGAYTONQAHR-UHFFFAOYSA-N 1 1 404.514 4.251 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000436255040 861566716 /nfs/dbraw/zinc/56/67/16/861566716.db2.gz TYFYQHACTIWATB-HXUWFJFHSA-N 1 1 401.470 4.164 20 30 HIEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(OC(F)F)cc1 ZINC000009711519 845584756 /nfs/dbraw/zinc/58/47/56/845584756.db2.gz WNAHVKWCKLTUTE-UHFFFAOYSA-N 1 1 407.848 4.320 20 30 HIEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(OC(F)F)cc1 ZINC000009711519 845584766 /nfs/dbraw/zinc/58/47/66/845584766.db2.gz WNAHVKWCKLTUTE-UHFFFAOYSA-N 1 1 407.848 4.320 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000015144271 846013420 /nfs/dbraw/zinc/01/34/20/846013420.db2.gz TVQUDZPCWKOJMX-LBPRGKRZSA-N 1 1 423.847 4.281 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000015144271 846013430 /nfs/dbraw/zinc/01/34/30/846013430.db2.gz TVQUDZPCWKOJMX-LBPRGKRZSA-N 1 1 423.847 4.281 20 30 HIEDMO N#Cc1ccc(OCCN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024246035 846806646 /nfs/dbraw/zinc/80/66/46/846806646.db2.gz KIYVYPJOBJBERW-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(OCC[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024246035 846806647 /nfs/dbraw/zinc/80/66/47/846806647.db2.gz KIYVYPJOBJBERW-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024246035 846806654 /nfs/dbraw/zinc/80/66/54/846806654.db2.gz KIYVYPJOBJBERW-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO Cc1nnc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c(C#N)c1C ZINC000029527725 847574772 /nfs/dbraw/zinc/57/47/72/847574772.db2.gz AAYVUDICOXMWQQ-UHFFFAOYSA-N 1 1 407.518 4.155 20 30 HIEDMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984214 847663844 /nfs/dbraw/zinc/66/38/44/847663844.db2.gz MSFGCOSSEPCJBG-QGZVFWFLSA-N 1 1 413.974 4.427 20 30 HIEDMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984214 847663851 /nfs/dbraw/zinc/66/38/51/847663851.db2.gz MSFGCOSSEPCJBG-QGZVFWFLSA-N 1 1 413.974 4.427 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000043134475 848389028 /nfs/dbraw/zinc/38/90/28/848389028.db2.gz CLBPQAMCYNDIAB-UHFFFAOYSA-N 1 1 413.319 4.061 20 30 HIEDMO COc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cs2)cc1 ZINC000046087036 848784044 /nfs/dbraw/zinc/78/40/44/848784044.db2.gz UDDNBMQKLCVKBC-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO COc1ccc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cs2)cc1 ZINC000046087036 848784049 /nfs/dbraw/zinc/78/40/49/848784049.db2.gz UDDNBMQKLCVKBC-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046437127 848848120 /nfs/dbraw/zinc/84/81/20/848848120.db2.gz LBSWRQSLEPCFRX-WOJBJXKFSA-N 1 1 405.542 4.220 20 30 HIEDMO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529167 848867993 /nfs/dbraw/zinc/86/79/93/848867993.db2.gz RYQIPQXSYLEPOB-OAHLLOKOSA-N 1 1 406.511 4.149 20 30 HIEDMO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529167 848868001 /nfs/dbraw/zinc/86/80/01/848868001.db2.gz RYQIPQXSYLEPOB-OAHLLOKOSA-N 1 1 406.511 4.149 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000052267033 849568004 /nfs/dbraw/zinc/56/80/04/849568004.db2.gz GNIDQWRTKYYCKA-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000052267033 849568014 /nfs/dbraw/zinc/56/80/14/849568014.db2.gz GNIDQWRTKYYCKA-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000055569811 850058205 /nfs/dbraw/zinc/05/82/05/850058205.db2.gz QSNTYQYHYUXGPM-KDURUIRLSA-N 1 1 407.514 4.231 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000055569811 850058220 /nfs/dbraw/zinc/05/82/20/850058220.db2.gz QSNTYQYHYUXGPM-KDURUIRLSA-N 1 1 407.514 4.231 20 30 HIEDMO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056759052 850469524 /nfs/dbraw/zinc/46/95/24/850469524.db2.gz NIBLKRVRDUVFKR-LJQANCHMSA-N 1 1 406.530 4.475 20 30 HIEDMO CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477380 851112448 /nfs/dbraw/zinc/11/24/48/851112448.db2.gz PMVHCOIVULKBBA-DNVCBOLYSA-N 1 1 403.320 4.144 20 30 HIEDMO COc1cccc(CN(C(=O)C[NH+]2CCC(C#N)CC2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000060893743 851242766 /nfs/dbraw/zinc/24/27/66/851242766.db2.gz BEPUCMUJPQMFKL-UHFFFAOYSA-N 1 1 421.585 4.228 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000062364333 851530370 /nfs/dbraw/zinc/53/03/70/851530370.db2.gz WPDVJWMDWZMJHZ-QHCPKHFHSA-N 1 1 408.542 4.098 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000062364333 851530385 /nfs/dbraw/zinc/53/03/85/851530385.db2.gz WPDVJWMDWZMJHZ-QHCPKHFHSA-N 1 1 408.542 4.098 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000063402355 851679395 /nfs/dbraw/zinc/67/93/95/851679395.db2.gz CSWAOTWYNMNIDE-UHFFFAOYSA-N 1 1 422.529 4.129 20 30 HIEDMO Cc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000063750812 851754703 /nfs/dbraw/zinc/75/47/03/851754703.db2.gz NVABQOQMSGOBGD-UHFFFAOYSA-N 1 1 405.477 4.041 20 30 HIEDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000063750812 851754707 /nfs/dbraw/zinc/75/47/07/851754707.db2.gz NVABQOQMSGOBGD-UHFFFAOYSA-N 1 1 405.477 4.041 20 30 HIEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000064483083 851910854 /nfs/dbraw/zinc/91/08/54/851910854.db2.gz OOSGRRPATFNUKT-HNNXBMFYSA-N 1 1 420.513 4.465 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000065243366 852092712 /nfs/dbraw/zinc/09/27/12/852092712.db2.gz PMUUXJQLPYDUPX-UHFFFAOYSA-N 1 1 408.521 4.223 20 30 HIEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000071960397 852447035 /nfs/dbraw/zinc/44/70/35/852447035.db2.gz GLQFXZQCXFXITO-HSALFYBXSA-N 1 1 405.542 4.120 20 30 HIEDMO C#CCOc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000078667614 852525063 /nfs/dbraw/zinc/52/50/63/852525063.db2.gz BRCXZOUTHFWXFP-OAQYLSRUSA-N 1 1 402.416 4.092 20 30 HIEDMO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)c(OC)c1 ZINC000096967604 852564849 /nfs/dbraw/zinc/56/48/49/852564849.db2.gz CEETZVPYWAHIJB-UHFFFAOYSA-N 1 1 405.498 4.277 20 30 HIEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)c(OC)c1 ZINC000096967604 852564853 /nfs/dbraw/zinc/56/48/53/852564853.db2.gz CEETZVPYWAHIJB-UHFFFAOYSA-N 1 1 405.498 4.277 20 30 HIEDMO Cc1cc(-c2noc([C@H](C)[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)ccc1F ZINC000097490995 852618141 /nfs/dbraw/zinc/61/81/41/852618141.db2.gz AQNVAPWCSPCUGU-KRWDZBQOSA-N 1 1 405.477 4.329 20 30 HIEDMO Cc1cc(-c2noc([C@H](C)[N@H+]3CCCN(c4ccccc4C#N)CC3)n2)ccc1F ZINC000097490995 852618147 /nfs/dbraw/zinc/61/81/47/852618147.db2.gz AQNVAPWCSPCUGU-KRWDZBQOSA-N 1 1 405.477 4.329 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000105422285 852704227 /nfs/dbraw/zinc/70/42/27/852704227.db2.gz QPODUWGBBWGMBI-KRWDZBQOSA-N 1 1 403.935 4.283 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000107700404 852787380 /nfs/dbraw/zinc/78/73/80/852787380.db2.gz PCYUGDSBINOYEH-UHFFFAOYSA-N 1 1 421.932 4.307 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000107700404 852787387 /nfs/dbraw/zinc/78/73/87/852787387.db2.gz PCYUGDSBINOYEH-UHFFFAOYSA-N 1 1 421.932 4.307 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000108813104 852881435 /nfs/dbraw/zinc/88/14/35/852881435.db2.gz DAVLNIKJULZRMA-XMMPIXPASA-N 1 1 405.542 4.231 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000108813104 852881437 /nfs/dbraw/zinc/88/14/37/852881437.db2.gz DAVLNIKJULZRMA-XMMPIXPASA-N 1 1 405.542 4.231 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000109104394 852922406 /nfs/dbraw/zinc/92/24/06/852922406.db2.gz GIZHFOFBIPLTCA-UHFFFAOYSA-N 1 1 405.477 4.042 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000109104394 852922411 /nfs/dbraw/zinc/92/24/11/852922411.db2.gz GIZHFOFBIPLTCA-UHFFFAOYSA-N 1 1 405.477 4.042 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000110931477 853170551 /nfs/dbraw/zinc/17/05/51/853170551.db2.gz VLSXVMULXWXCFD-UHFFFAOYSA-N 1 1 405.523 4.032 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000110931477 853170554 /nfs/dbraw/zinc/17/05/54/853170554.db2.gz VLSXVMULXWXCFD-UHFFFAOYSA-N 1 1 405.523 4.032 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4nc5cc(Cl)ccc5o4)CC3)C2=O)cc1 ZINC000110983040 853179765 /nfs/dbraw/zinc/17/97/65/853179765.db2.gz XVGAFZFZMUDBAX-FQEVSTJZSA-N 1 1 420.900 4.338 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn2ccccc12 ZINC000110988073 853180690 /nfs/dbraw/zinc/18/06/90/853180690.db2.gz CFZQLLLWRKGIHU-KRWDZBQOSA-N 1 1 401.445 4.380 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000111020559 853188140 /nfs/dbraw/zinc/18/81/40/853188140.db2.gz ONZLPPMMMMLUJE-WOJBJXKFSA-N 1 1 421.541 4.255 20 30 HIEDMO N#CCCn1cc(C(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000116758807 853332273 /nfs/dbraw/zinc/33/22/73/853332273.db2.gz YYKLIMHKBYVDMY-UHFFFAOYSA-N 1 1 418.516 4.085 20 30 HIEDMO N#CCCn1cc(C(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000116758807 853332280 /nfs/dbraw/zinc/33/22/80/853332280.db2.gz YYKLIMHKBYVDMY-UHFFFAOYSA-N 1 1 418.516 4.085 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1C ZINC000150308315 853643589 /nfs/dbraw/zinc/64/35/89/853643589.db2.gz MAURYSKISCDAOC-VQTJNVASSA-N 1 1 407.562 4.073 20 30 HIEDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236671058 853910483 /nfs/dbraw/zinc/91/04/83/853910483.db2.gz ZKHXVWWVPBGMMC-JOCHJYFZSA-N 1 1 401.514 4.477 20 30 HIEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)cc1 ZINC000236985319 853947410 /nfs/dbraw/zinc/94/74/10/853947410.db2.gz JKZBKOBPTOKHNU-FQEVSTJZSA-N 1 1 409.549 4.221 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000237215615 853984804 /nfs/dbraw/zinc/98/48/04/853984804.db2.gz XAHOXKPWZHNWSO-WOJBJXKFSA-N 1 1 410.558 4.159 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cn3cccc(C)c3n2)cc1OC ZINC000237293650 854000815 /nfs/dbraw/zinc/00/08/15/854000815.db2.gz WPBPHOHMRPCGFF-UHFFFAOYSA-N 1 1 416.319 4.268 20 30 HIEDMO C[C@H]([NH2+]C1(CNCc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237527678 854050435 /nfs/dbraw/zinc/05/04/35/854050435.db2.gz QAKAZFIUAZUGDG-NRFANRHFSA-N 1 1 406.574 4.026 20 30 HIEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301529502 854413425 /nfs/dbraw/zinc/41/34/25/854413425.db2.gz JGMQDPPZPVHLRT-APWZRJJASA-N 1 1 401.470 4.480 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000303299520 854859421 /nfs/dbraw/zinc/85/94/21/854859421.db2.gz CKFFCAPQZVFOOS-SFHVURJKSA-N 1 1 424.570 4.092 20 30 HIEDMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000303355498 854889547 /nfs/dbraw/zinc/88/95/47/854889547.db2.gz GBNNPAXZVRPGFH-JOCHJYFZSA-N 1 1 422.573 4.245 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000303355498 854889550 /nfs/dbraw/zinc/88/95/50/854889550.db2.gz GBNNPAXZVRPGFH-JOCHJYFZSA-N 1 1 422.573 4.245 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000303362608 854892824 /nfs/dbraw/zinc/89/28/24/854892824.db2.gz HQGXFNHNOXXVGX-HXUWFJFHSA-N 1 1 422.598 4.227 20 30 HIEDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000303366086 854894426 /nfs/dbraw/zinc/89/44/26/854894426.db2.gz IOEIMOVQEYHWMT-NRFANRHFSA-N 1 1 408.546 4.185 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000303366086 854894430 /nfs/dbraw/zinc/89/44/30/854894430.db2.gz IOEIMOVQEYHWMT-NRFANRHFSA-N 1 1 408.546 4.185 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000303386304 854903430 /nfs/dbraw/zinc/90/34/30/854903430.db2.gz NUMUADJXOKRHSB-INIZCTEOSA-N 1 1 401.507 4.027 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000303386304 854903444 /nfs/dbraw/zinc/90/34/44/854903444.db2.gz NUMUADJXOKRHSB-INIZCTEOSA-N 1 1 401.507 4.027 20 30 HIEDMO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000303414589 854915713 /nfs/dbraw/zinc/91/57/13/854915713.db2.gz VVFQXEIAWTYCAO-YLJYHZDGSA-N 1 1 418.607 4.197 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000303425348 854927177 /nfs/dbraw/zinc/92/71/77/854927177.db2.gz YXHWZORHAQPOHL-LJQANCHMSA-N 1 1 416.525 4.362 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000303425348 854927181 /nfs/dbraw/zinc/92/71/81/854927181.db2.gz YXHWZORHAQPOHL-LJQANCHMSA-N 1 1 416.525 4.362 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303619481 855081935 /nfs/dbraw/zinc/08/19/35/855081935.db2.gz PJIPKCUQGOTKEZ-KZNAEPCWSA-N 1 1 402.970 4.125 20 30 HIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665069 855117083 /nfs/dbraw/zinc/11/70/83/855117083.db2.gz FAYLSIHNFKATIK-RHSMWYFYSA-N 1 1 413.319 4.127 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303783385 855196058 /nfs/dbraw/zinc/19/60/58/855196058.db2.gz DFMWDJUFVOGMDJ-UHFFFAOYSA-N 1 1 409.313 4.137 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000303850370 855245678 /nfs/dbraw/zinc/24/56/78/855245678.db2.gz UVULEURCDBHBSM-UHFFFAOYSA-N 1 1 411.449 4.357 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000303850370 855245682 /nfs/dbraw/zinc/24/56/82/855245682.db2.gz UVULEURCDBHBSM-UHFFFAOYSA-N 1 1 411.449 4.357 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303929017 855298473 /nfs/dbraw/zinc/29/84/73/855298473.db2.gz WVPCKZCKGPWBEC-HSZRJFAPSA-N 1 1 418.585 4.147 20 30 HIEDMO CN1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305666552 855360897 /nfs/dbraw/zinc/36/08/97/855360897.db2.gz IGMXVADHRSSCON-DYESRHJHSA-N 1 1 400.929 4.387 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409471836 855497429 /nfs/dbraw/zinc/49/74/29/855497429.db2.gz SNDNEUHFNWDHTH-UHFFFAOYSA-N 1 1 410.481 4.364 20 30 HIEDMO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1 ZINC000426776746 856471768 /nfs/dbraw/zinc/47/17/68/856471768.db2.gz HKNVPWKCIBGCBD-UHFFFAOYSA-N 1 1 415.493 4.313 20 30 HIEDMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1 ZINC000426776746 856471774 /nfs/dbraw/zinc/47/17/74/856471774.db2.gz HKNVPWKCIBGCBD-UHFFFAOYSA-N 1 1 415.493 4.313 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426849750 856511967 /nfs/dbraw/zinc/51/19/67/856511967.db2.gz VZQWZPXDRWDOAB-QFIPXVFZSA-N 1 1 405.889 4.052 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426857228 856515029 /nfs/dbraw/zinc/51/50/29/856515029.db2.gz GPSOYUUAXFOSPW-QFIPXVFZSA-N 1 1 405.889 4.052 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426873711 856522590 /nfs/dbraw/zinc/52/25/90/856522590.db2.gz DAZFUGLJUPEXLW-JOCHJYFZSA-N 1 1 408.889 4.110 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426873711 856522600 /nfs/dbraw/zinc/52/26/00/856522600.db2.gz DAZFUGLJUPEXLW-JOCHJYFZSA-N 1 1 408.889 4.110 20 30 HIEDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427013591 856595606 /nfs/dbraw/zinc/59/56/06/856595606.db2.gz BXRFWIXKGOIAML-IBGZPJMESA-N 1 1 405.395 4.092 20 30 HIEDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427013591 856595614 /nfs/dbraw/zinc/59/56/14/856595614.db2.gz BXRFWIXKGOIAML-IBGZPJMESA-N 1 1 405.395 4.092 20 30 HIEDMO C=CCC[C@@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccccc1 ZINC000427115699 856647455 /nfs/dbraw/zinc/64/74/55/856647455.db2.gz CMONSTBWANYSKW-OAQYLSRUSA-N 1 1 418.541 4.126 20 30 HIEDMO C=CCC[C@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000427231314 856725923 /nfs/dbraw/zinc/72/59/23/856725923.db2.gz KIELGCUDTODWTE-DEOSSOPVSA-N 1 1 407.558 4.001 20 30 HIEDMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)nc(C)[nH+]1 ZINC000428887620 857392340 /nfs/dbraw/zinc/39/23/40/857392340.db2.gz YCNDUAUKNADMEX-OAHLLOKOSA-N 1 1 424.574 4.136 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926920 857421560 /nfs/dbraw/zinc/42/15/60/857421560.db2.gz DCKWRWOQDFXVFW-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926920 857421572 /nfs/dbraw/zinc/42/15/72/857421572.db2.gz DCKWRWOQDFXVFW-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429020097 857460812 /nfs/dbraw/zinc/46/08/12/857460812.db2.gz MNTOVZUMONVSQQ-HSZRJFAPSA-N 1 1 422.598 4.097 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429020097 857460815 /nfs/dbraw/zinc/46/08/15/857460815.db2.gz MNTOVZUMONVSQQ-HSZRJFAPSA-N 1 1 422.598 4.097 20 30 HIEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cc1 ZINC000429924594 857950089 /nfs/dbraw/zinc/95/00/89/857950089.db2.gz JXHJHLAOHKWDHP-UHFFFAOYSA-N 1 1 419.550 4.438 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cc1 ZINC000429924594 857950100 /nfs/dbraw/zinc/95/01/00/857950100.db2.gz JXHJHLAOHKWDHP-UHFFFAOYSA-N 1 1 419.550 4.438 20 30 HIEDMO CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430168940 858063457 /nfs/dbraw/zinc/06/34/57/858063457.db2.gz USANIELFDQTTFN-MRXNPFEDSA-N 1 1 404.333 4.091 20 30 HIEDMO CSc1cc(Br)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430168940 858063467 /nfs/dbraw/zinc/06/34/67/858063467.db2.gz USANIELFDQTTFN-MRXNPFEDSA-N 1 1 404.333 4.091 20 30 HIEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430180590 858069574 /nfs/dbraw/zinc/06/95/74/858069574.db2.gz RPOCAVQZGBHDQR-FQEVSTJZSA-N 1 1 407.905 4.063 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182736 858070408 /nfs/dbraw/zinc/07/04/08/858070408.db2.gz ZFXLZRMTSVGOCE-SFHVURJKSA-N 1 1 413.403 4.015 20 30 HIEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@H](C)O2 ZINC000430765093 858296171 /nfs/dbraw/zinc/29/61/71/858296171.db2.gz DUSWLHZAWUOWHM-OHUGHZGNSA-N 1 1 406.526 4.296 20 30 HIEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@H](C)O2 ZINC000430779835 858302092 /nfs/dbraw/zinc/30/20/92/858302092.db2.gz GPWMSCZJHZYRHM-OHUGHZGNSA-N 1 1 406.526 4.296 20 30 HIEDMO N#Cc1csc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000437674351 863015909 /nfs/dbraw/zinc/01/59/09/863015909.db2.gz DFUCUNHYEZJDIY-UHFFFAOYSA-N 1 1 416.550 4.190 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001643 858400229 /nfs/dbraw/zinc/40/02/29/858400229.db2.gz WBDVKJUTOHEOSB-MRXNPFEDSA-N 1 1 401.919 4.339 20 30 HIEDMO C=CCN1C(=O)N(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165822 858481856 /nfs/dbraw/zinc/48/18/56/858481856.db2.gz HHAUWKQEGWDOJA-IRLDBZIGSA-N 1 1 423.582 4.022 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nc4ccccc4o3)sc2C1 ZINC000431595529 858681014 /nfs/dbraw/zinc/68/10/14/858681014.db2.gz JYOYDXZEFOMPNP-AWEZNQCLSA-N 1 1 408.527 4.346 20 30 HIEDMO CC(F)(F)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000432577519 859235692 /nfs/dbraw/zinc/23/56/92/859235692.db2.gz GYSAOYSEKDVNOR-UHFFFAOYSA-N 1 1 412.484 4.087 20 30 HIEDMO Cc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000433029999 859489491 /nfs/dbraw/zinc/48/94/91/859489491.db2.gz UWHVWJWNJLLZJM-RUZDIDTESA-N 1 1 418.585 4.054 20 30 HIEDMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)cs2)c1C ZINC000433035978 859493066 /nfs/dbraw/zinc/49/30/66/859493066.db2.gz PPNSEFIUNHCELJ-LJQANCHMSA-N 1 1 407.543 4.045 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322680 860282984 /nfs/dbraw/zinc/28/29/84/860282984.db2.gz WXEQVGPQYGUSBN-QHCPKHFHSA-N 1 1 413.525 4.082 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434348161 860304557 /nfs/dbraw/zinc/30/45/57/860304557.db2.gz DKIYWGYVYYIWBA-XMMPIXPASA-N 1 1 420.532 4.426 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434834419 860512859 /nfs/dbraw/zinc/51/28/59/860512859.db2.gz QMNZKADYQHRYBR-UHFFFAOYSA-N 1 1 416.529 4.018 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434834419 860512866 /nfs/dbraw/zinc/51/28/66/860512866.db2.gz QMNZKADYQHRYBR-UHFFFAOYSA-N 1 1 416.529 4.018 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434910397 860550665 /nfs/dbraw/zinc/55/06/65/860550665.db2.gz UWCZYWJXBNHTBT-IBGZPJMESA-N 1 1 413.562 4.002 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434910398 860551146 /nfs/dbraw/zinc/55/11/46/860551146.db2.gz UWCZYWJXBNHTBT-LJQANCHMSA-N 1 1 413.562 4.002 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1OC(F)(F)F ZINC000435127180 860653791 /nfs/dbraw/zinc/65/37/91/860653791.db2.gz VEHLWQPZMVQKOD-UHFFFAOYSA-N 1 1 415.419 4.389 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(Br)c1 ZINC000435131865 860656124 /nfs/dbraw/zinc/65/61/24/860656124.db2.gz FRWIBMRINHASBN-UHFFFAOYSA-N 1 1 410.319 4.253 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435135914 860658478 /nfs/dbraw/zinc/65/84/78/860658478.db2.gz WKKKEPWYXHYLPB-IBGZPJMESA-N 1 1 403.555 4.473 20 30 HIEDMO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435290502 860721505 /nfs/dbraw/zinc/72/15/05/860721505.db2.gz QUWOFIOOACMMBQ-QHCPKHFHSA-N 1 1 413.525 4.082 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000435540991 860854562 /nfs/dbraw/zinc/85/45/62/860854562.db2.gz VRJHFCSRHIPMES-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000435540991 860854566 /nfs/dbraw/zinc/85/45/66/860854566.db2.gz VRJHFCSRHIPMES-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000435557116 860877443 /nfs/dbraw/zinc/87/74/43/860877443.db2.gz QEIXEFRQURNUKS-FQEVSTJZSA-N 1 1 406.530 4.032 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000435557118 860877528 /nfs/dbraw/zinc/87/75/28/860877528.db2.gz QEIXEFRQURNUKS-HXUWFJFHSA-N 1 1 406.530 4.032 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000437744603 863069203 /nfs/dbraw/zinc/06/92/03/863069203.db2.gz KQTAQAASCIGCEO-PGRDOPGGSA-N 1 1 406.530 4.278 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@H+]1C ZINC000437981695 863347177 /nfs/dbraw/zinc/34/71/77/863347177.db2.gz BBZLLRGINUJWNZ-OXQOHEQNSA-N 1 1 410.493 4.223 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988466 863351723 /nfs/dbraw/zinc/35/17/23/863351723.db2.gz RMQKWTMYIQJBHW-RDJZCZTQSA-N 1 1 406.477 4.278 20 30 HIEDMO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000438003196 863364667 /nfs/dbraw/zinc/36/46/67/863364667.db2.gz VUFXCUUTKASGGO-INIZCTEOSA-N 1 1 414.456 4.288 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000438195158 863622682 /nfs/dbraw/zinc/62/26/82/863622682.db2.gz ZSRZWVMVZYFEOZ-UHFFFAOYSA-N 1 1 404.470 4.114 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000438195158 863622693 /nfs/dbraw/zinc/62/26/93/863622693.db2.gz ZSRZWVMVZYFEOZ-UHFFFAOYSA-N 1 1 404.470 4.114 20 30 HIEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1Cc1ccccc1 ZINC000438456538 863879870 /nfs/dbraw/zinc/87/98/70/863879870.db2.gz QNINDOOKPCRZAN-PZJWPPBQSA-N 1 1 422.598 4.226 20 30 HIEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCN(c2ccccc2)CC1 ZINC000439004377 864458154 /nfs/dbraw/zinc/45/81/54/864458154.db2.gz HGSUWFNBICEWPS-UHFFFAOYSA-N 1 1 422.598 4.428 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCN(c2ccccc2)CC1 ZINC000439016470 864468331 /nfs/dbraw/zinc/46/83/31/864468331.db2.gz YPFKAFGASGEQHI-UHFFFAOYSA-N 1 1 422.598 4.428 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000439064161 864514762 /nfs/dbraw/zinc/51/47/62/864514762.db2.gz DOVPSONBXNEGOP-INIZCTEOSA-N 1 1 408.477 4.071 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000439064161 864514769 /nfs/dbraw/zinc/51/47/69/864514769.db2.gz DOVPSONBXNEGOP-INIZCTEOSA-N 1 1 408.477 4.071 20 30 HIEDMO CC[C@@](C)(O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000439272520 864689832 /nfs/dbraw/zinc/68/98/32/864689832.db2.gz KWBATYFLOBXBJI-HSZRJFAPSA-N 1 1 411.571 4.100 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439321496 864758543 /nfs/dbraw/zinc/75/85/43/864758543.db2.gz CNHKELOTFFMTLJ-AVRDEDQJSA-N 1 1 422.573 4.220 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439321496 864758557 /nfs/dbraw/zinc/75/85/57/864758557.db2.gz CNHKELOTFFMTLJ-AVRDEDQJSA-N 1 1 422.573 4.220 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369616 864805766 /nfs/dbraw/zinc/80/57/66/864805766.db2.gz GXSUXSIRZDJWFY-UZUQRXQVSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369616 864805769 /nfs/dbraw/zinc/80/57/69/864805769.db2.gz GXSUXSIRZDJWFY-UZUQRXQVSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369462 864805876 /nfs/dbraw/zinc/80/58/76/864805876.db2.gz GXSUXSIRZDJWFY-HXOBKFHXSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369462 864805877 /nfs/dbraw/zinc/80/58/77/864805877.db2.gz GXSUXSIRZDJWFY-HXOBKFHXSA-N 1 1 405.546 4.335 20 30 HIEDMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439448872 864836080 /nfs/dbraw/zinc/83/60/80/864836080.db2.gz GSHFKAOVDHYDAS-OAHLLOKOSA-N 1 1 405.951 4.093 20 30 HIEDMO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000439588409 864910715 /nfs/dbraw/zinc/91/07/15/864910715.db2.gz FVQSLVVOMXNQOQ-LJQANCHMSA-N 1 1 412.578 4.035 20 30 HIEDMO CCCc1c(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439666580 864997181 /nfs/dbraw/zinc/99/71/81/864997181.db2.gz OXTURJFQRYWNBM-LJQANCHMSA-N 1 1 422.577 4.330 20 30 HIEDMO N#Cc1ccc(CC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440439964 865742402 /nfs/dbraw/zinc/74/24/02/865742402.db2.gz LOUQKSRUOKQDSH-NRFANRHFSA-N 1 1 415.459 4.014 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)o2)c1 ZINC000441098295 866193736 /nfs/dbraw/zinc/19/37/36/866193736.db2.gz SWDNIUVYFKMJLJ-AWEZNQCLSA-N 1 1 419.432 4.463 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)o2)c1 ZINC000441098295 866193764 /nfs/dbraw/zinc/19/37/64/866193764.db2.gz SWDNIUVYFKMJLJ-AWEZNQCLSA-N 1 1 419.432 4.463 20 30 HIEDMO COc1ccc(CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)C)cc1OC ZINC000441390433 866461046 /nfs/dbraw/zinc/46/10/46/866461046.db2.gz XGPRGSJGKQLBTB-UHFFFAOYSA-N 1 1 420.513 4.326 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)o2)c1 ZINC000441472497 866549679 /nfs/dbraw/zinc/54/96/79/866549679.db2.gz IXSBKGHBIJHKNS-UHFFFAOYSA-N 1 1 400.482 4.488 20 30 HIEDMO Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000441623339 866723696 /nfs/dbraw/zinc/72/36/96/866723696.db2.gz UCPDVUUZZBVAJK-QETWGEEDSA-N 1 1 420.561 4.090 20 30 HIEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1c[nH]c2ccccc12 ZINC000442892640 867722927 /nfs/dbraw/zinc/72/29/27/867722927.db2.gz VTGFSBSYNDQXMH-UHFFFAOYSA-N 1 1 413.443 4.177 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000443642099 868226879 /nfs/dbraw/zinc/22/68/79/868226879.db2.gz RFVOIRQRUVNSBU-KRWDZBQOSA-N 1 1 406.461 4.093 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccccc1 ZINC000443642099 868226901 /nfs/dbraw/zinc/22/69/01/868226901.db2.gz RFVOIRQRUVNSBU-KRWDZBQOSA-N 1 1 406.461 4.093 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)sc2c1CCC2 ZINC000443650658 868244228 /nfs/dbraw/zinc/24/42/28/868244228.db2.gz IUQSLPGPGOOZOI-CQSZACIVSA-N 1 1 415.946 4.244 20 30 HIEDMO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(F)c(C#N)c1 ZINC000468279315 882201232 /nfs/dbraw/zinc/20/12/32/882201232.db2.gz BZJQQJBIWXVCFN-UHFFFAOYSA-N 1 1 409.486 4.130 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCCC2 ZINC000444172854 868649171 /nfs/dbraw/zinc/64/91/71/868649171.db2.gz SGQOMTCHHNJHHP-LJQANCHMSA-N 1 1 423.582 4.366 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229763 868678879 /nfs/dbraw/zinc/67/88/79/868678879.db2.gz XLKIJTYXWGRVMX-WOJBJXKFSA-N 1 1 401.576 4.300 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444235193 868684856 /nfs/dbraw/zinc/68/48/56/868684856.db2.gz FAFRHHSNNALGBQ-QFIPXVFZSA-N 1 1 408.546 4.086 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444235193 868684859 /nfs/dbraw/zinc/68/48/59/868684859.db2.gz FAFRHHSNNALGBQ-QFIPXVFZSA-N 1 1 408.546 4.086 20 30 HIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000444638702 868924947 /nfs/dbraw/zinc/92/49/47/868924947.db2.gz LMEFBNSTTRIAQP-HNNXBMFYSA-N 1 1 407.356 4.215 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444737589 868983482 /nfs/dbraw/zinc/98/34/82/868983482.db2.gz RALURTZCYFFKKY-WFASDCNBSA-N 1 1 409.374 4.297 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC3(CCCC3)C1)CCCC2 ZINC000445844895 869856334 /nfs/dbraw/zinc/85/63/34/869856334.db2.gz LGJQHVVOUKYLFF-LJQANCHMSA-N 1 1 424.589 4.012 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC3(CCCC3)C1)CCCC2 ZINC000445844895 869856336 /nfs/dbraw/zinc/85/63/36/869856336.db2.gz LGJQHVVOUKYLFF-LJQANCHMSA-N 1 1 424.589 4.012 20 30 HIEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000446841664 870759831 /nfs/dbraw/zinc/75/98/31/870759831.db2.gz AHBCQRZQNPMLIE-UHFFFAOYSA-N 1 1 408.498 4.110 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000446841664 870759834 /nfs/dbraw/zinc/75/98/34/870759834.db2.gz AHBCQRZQNPMLIE-UHFFFAOYSA-N 1 1 408.498 4.110 20 30 HIEDMO Cc1ccc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000447309428 871204007 /nfs/dbraw/zinc/20/40/07/871204007.db2.gz NNLQNMTVYKUZMC-UHFFFAOYSA-N 1 1 402.473 4.432 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000447368397 871275557 /nfs/dbraw/zinc/27/55/57/871275557.db2.gz RCTXBJDJFYLQIG-IBGZPJMESA-N 1 1 424.520 4.016 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447368204 871276225 /nfs/dbraw/zinc/27/62/25/871276225.db2.gz PKTCJBOHLHLMFM-KKSFZXQISA-N 1 1 414.347 4.136 20 30 HIEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447378893 871284206 /nfs/dbraw/zinc/28/42/06/871284206.db2.gz AWTMOEPWYOHIPR-GOSISDBHSA-N 1 1 411.571 4.199 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cc(C(C)(C)C)n[nH]3)sc2C1 ZINC000447403307 871313687 /nfs/dbraw/zinc/31/36/87/871313687.db2.gz DLYOCQQLLMGNPE-AWEZNQCLSA-N 1 1 413.591 4.226 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448201660 872093524 /nfs/dbraw/zinc/09/35/24/872093524.db2.gz HURSEIZEHSIFJQ-OFVILXPXSA-N 1 1 415.537 4.226 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000448305695 872237726 /nfs/dbraw/zinc/23/77/26/872237726.db2.gz CNOYBZLZDJICOT-UHFFFAOYSA-N 1 1 407.436 4.099 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460370909 873005565 /nfs/dbraw/zinc/00/55/65/873005565.db2.gz SBGQRSPTQZEAAV-OFNKIYASSA-N 1 1 416.573 4.406 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460370908 873006537 /nfs/dbraw/zinc/00/65/37/873006537.db2.gz SBGQRSPTQZEAAV-NZQKXSOJSA-N 1 1 416.573 4.406 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460373613 873010286 /nfs/dbraw/zinc/01/02/86/873010286.db2.gz DZWKDHATEFGFGD-PGRDOPGGSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460378839 873018245 /nfs/dbraw/zinc/01/82/45/873018245.db2.gz ZVBMJWDGRFFMIY-UYAOXDASSA-N 1 1 404.562 4.378 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468836230 882883155 /nfs/dbraw/zinc/88/31/55/882883155.db2.gz GAYHQIDWLXTJEB-YLJYHZDGSA-N 1 1 407.539 4.423 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940493 875075083 /nfs/dbraw/zinc/07/50/83/875075083.db2.gz KCNWYDGVMJUJJB-OAOYMFHYSA-N 1 1 406.933 4.384 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940493 875075095 /nfs/dbraw/zinc/07/50/95/875075095.db2.gz KCNWYDGVMJUJJB-OAOYMFHYSA-N 1 1 406.933 4.384 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951844 875082773 /nfs/dbraw/zinc/08/27/73/875082773.db2.gz DCCWMYQVIBKYOR-PSBWJHGTSA-N 1 1 408.468 4.080 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccc(F)c(F)c2)c1 ZINC000463246129 876302959 /nfs/dbraw/zinc/30/29/59/876302959.db2.gz HHJIFMHYFJMYKX-LFRPXUGBSA-N 1 1 404.482 4.130 20 30 HIEDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000463410692 876463801 /nfs/dbraw/zinc/46/38/01/876463801.db2.gz AHDNUFIRXSDQME-UHFFFAOYSA-N 1 1 406.711 4.087 20 30 HIEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000463410692 876463805 /nfs/dbraw/zinc/46/38/05/876463805.db2.gz AHDNUFIRXSDQME-UHFFFAOYSA-N 1 1 406.711 4.087 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463415135 876470370 /nfs/dbraw/zinc/47/03/70/876470370.db2.gz IEMVDTAFPGFIJM-UHFFFAOYSA-N 1 1 406.349 4.112 20 30 HIEDMO Cc1sc(NC(=O)C[N@@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463415135 876470377 /nfs/dbraw/zinc/47/03/77/876470377.db2.gz IEMVDTAFPGFIJM-UHFFFAOYSA-N 1 1 406.349 4.112 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000464337973 877529451 /nfs/dbraw/zinc/52/94/51/877529451.db2.gz GSTUQSJLGRLZED-HSZRJFAPSA-N 1 1 403.526 4.132 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464777541 878021166 /nfs/dbraw/zinc/02/11/66/878021166.db2.gz VGBASQBTMXKPNS-FQEVSTJZSA-N 1 1 423.582 4.446 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841072 878109511 /nfs/dbraw/zinc/10/95/11/878109511.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 1 1 411.615 4.105 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841076 878109808 /nfs/dbraw/zinc/10/98/08/878109808.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 1 1 411.615 4.105 20 30 HIEDMO CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842955 878114060 /nfs/dbraw/zinc/11/40/60/878114060.db2.gz NUQYGQUYNGCLSR-QFIPXVFZSA-N 1 1 414.553 4.192 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465188457 878581494 /nfs/dbraw/zinc/58/14/94/878581494.db2.gz UXGBEWMTLUXYTM-DVECYGJZSA-N 1 1 421.541 4.321 20 30 HIEDMO Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1-c1cccc(C#N)c1 ZINC000503398528 912378786 /nfs/dbraw/zinc/37/87/86/912378786.db2.gz JDUNXDYJAFJEEF-QGZVFWFLSA-N 1 1 410.481 4.038 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465747204 879334480 /nfs/dbraw/zinc/33/44/80/879334480.db2.gz FQDPSPINXSUYCY-GOUWZUTHSA-N 1 1 402.542 4.303 20 30 HIEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC000503522640 912573685 /nfs/dbraw/zinc/57/36/85/912573685.db2.gz BMPIFPBXMZITMQ-UHFFFAOYSA-N 1 1 409.449 4.279 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000467029958 880829467 /nfs/dbraw/zinc/82/94/67/880829467.db2.gz XRSGUZIHHOAVSY-WIYYLYMNSA-N 1 1 415.493 4.123 20 30 HIEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nccs1 ZINC000467144375 880885237 /nfs/dbraw/zinc/88/52/37/880885237.db2.gz OEUUZFKRFYRPNB-JOCHJYFZSA-N 1 1 407.543 4.276 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467216587 880945941 /nfs/dbraw/zinc/94/59/41/880945941.db2.gz JLXUFDUSZRXTGK-VWLOTQADSA-N 1 1 422.573 4.049 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992077 884208674 /nfs/dbraw/zinc/20/86/74/884208674.db2.gz OIYGNNFGSRNFHH-INIZCTEOSA-N 1 1 405.420 4.352 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992077 884208694 /nfs/dbraw/zinc/20/86/94/884208694.db2.gz OIYGNNFGSRNFHH-INIZCTEOSA-N 1 1 405.420 4.352 20 30 HIEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)CCC2 ZINC000470222920 884551572 /nfs/dbraw/zinc/55/15/72/884551572.db2.gz JWMBWXBOABVQRJ-GOSISDBHSA-N 1 1 402.951 4.361 20 30 HIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)CCC2 ZINC000470222920 884551579 /nfs/dbraw/zinc/55/15/79/884551579.db2.gz JWMBWXBOABVQRJ-GOSISDBHSA-N 1 1 402.951 4.361 20 30 HIEDMO CCCCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000470269148 884620404 /nfs/dbraw/zinc/62/04/04/884620404.db2.gz SWJYJRIWICYKFE-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO CCCCOc1cc(OC)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000470269148 884620417 /nfs/dbraw/zinc/62/04/17/884620417.db2.gz SWJYJRIWICYKFE-UHFFFAOYSA-N 1 1 421.541 4.094 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 ZINC000470443642 884841574 /nfs/dbraw/zinc/84/15/74/884841574.db2.gz KDYCNUQEUOOFRS-UHFFFAOYSA-N 1 1 419.916 4.252 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 ZINC000470443642 884841581 /nfs/dbraw/zinc/84/15/81/884841581.db2.gz KDYCNUQEUOOFRS-UHFFFAOYSA-N 1 1 419.916 4.252 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1C ZINC000470534229 884934119 /nfs/dbraw/zinc/93/41/19/884934119.db2.gz ZLMSOSLWCJBAHZ-NRFANRHFSA-N 1 1 420.557 4.055 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470910804 885418814 /nfs/dbraw/zinc/41/88/14/885418814.db2.gz LRTCZCCVFWORTG-KNQAVFIVSA-N 1 1 409.505 4.142 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470910804 885418818 /nfs/dbraw/zinc/41/88/18/885418818.db2.gz LRTCZCCVFWORTG-KNQAVFIVSA-N 1 1 409.505 4.142 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169983 885728450 /nfs/dbraw/zinc/72/84/50/885728450.db2.gz PJSFQLAPQFIITN-SFHVURJKSA-N 1 1 408.571 4.038 20 30 HIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1O ZINC000471173866 885733630 /nfs/dbraw/zinc/73/36/30/885733630.db2.gz VALKAIGZXKVOFI-UHFFFAOYSA-N 1 1 418.493 4.492 20 30 HIEDMO C[C@@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000471443995 886110107 /nfs/dbraw/zinc/11/01/07/886110107.db2.gz OBRZYVOHXFNTPC-IBGZPJMESA-N 1 1 417.509 4.371 20 30 HIEDMO C[C@@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000471465763 886152677 /nfs/dbraw/zinc/15/26/77/886152677.db2.gz CJNHPMCPPRMFGV-IBGZPJMESA-N 1 1 414.509 4.386 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000471930755 886724766 /nfs/dbraw/zinc/72/47/66/886724766.db2.gz QQGXODVTYGVAEI-SFTDATJTSA-N 1 1 410.905 4.320 20 30 HIEDMO C=C(C)[C@@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000472184824 886984391 /nfs/dbraw/zinc/98/43/91/886984391.db2.gz BXFVHDIULFLNKP-ZRCGQRJVSA-N 1 1 411.496 4.355 20 30 HIEDMO C=C(C)[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000472184823 886984534 /nfs/dbraw/zinc/98/45/34/886984534.db2.gz BXFVHDIULFLNKP-MZKRTTBSSA-N 1 1 411.496 4.355 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240386 887049116 /nfs/dbraw/zinc/04/91/16/887049116.db2.gz JVMNRFHCXNUOFX-OAQYLSRUSA-N 1 1 414.553 4.334 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c2ccccc21 ZINC000472241852 887051628 /nfs/dbraw/zinc/05/16/28/887051628.db2.gz QJVTZSBAAZWQRW-JOCHJYFZSA-N 1 1 415.493 4.346 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c2ccccc21 ZINC000472241852 887051644 /nfs/dbraw/zinc/05/16/44/887051644.db2.gz QJVTZSBAAZWQRW-JOCHJYFZSA-N 1 1 415.493 4.346 20 30 HIEDMO CC(C)[C@H](CO)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000472252646 887062634 /nfs/dbraw/zinc/06/26/34/887062634.db2.gz VIMGXSQZRRRHGA-DEOSSOPVSA-N 1 1 403.526 4.257 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2ccccc2)c1C#N ZINC000472439170 887289303 /nfs/dbraw/zinc/28/93/03/887289303.db2.gz KQWNDZHVZOIJCQ-UHFFFAOYSA-N 1 1 404.514 4.121 20 30 HIEDMO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000472576075 887459568 /nfs/dbraw/zinc/45/95/68/887459568.db2.gz ZHGJJWWYHVWWIH-IBGZPJMESA-N 1 1 401.476 4.455 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000472576075 887459577 /nfs/dbraw/zinc/45/95/77/887459577.db2.gz ZHGJJWWYHVWWIH-IBGZPJMESA-N 1 1 401.476 4.455 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000473009206 887839006 /nfs/dbraw/zinc/83/90/06/887839006.db2.gz GEYMKBSSWIAFIV-HUVFLSCGSA-N 1 1 404.558 4.378 20 30 HIEDMO COc1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000473163807 887941556 /nfs/dbraw/zinc/94/15/56/887941556.db2.gz JMJQKZTUNKOLOY-UHFFFAOYSA-N 1 1 424.566 4.244 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173885 887950732 /nfs/dbraw/zinc/95/07/32/887950732.db2.gz WWXPJIWEAWWAGZ-GYCJOSAFSA-N 1 1 421.566 4.205 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173881 887950793 /nfs/dbraw/zinc/95/07/93/887950793.db2.gz WWXPJIWEAWWAGZ-FYSMJZIKSA-N 1 1 421.566 4.205 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000473176618 887955463 /nfs/dbraw/zinc/95/54/63/887955463.db2.gz LBJADRCJZDRMMG-CJFMBICVSA-N 1 1 403.526 4.070 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000473176618 887955468 /nfs/dbraw/zinc/95/54/68/887955468.db2.gz LBJADRCJZDRMMG-CJFMBICVSA-N 1 1 403.526 4.070 20 30 HIEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504367589 913195900 /nfs/dbraw/zinc/19/59/00/913195900.db2.gz GYQFVQNBQDTYLP-XJKSGUPXSA-N 1 1 404.864 4.066 20 30 HIEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504367589 913195902 /nfs/dbraw/zinc/19/59/02/913195902.db2.gz GYQFVQNBQDTYLP-XJKSGUPXSA-N 1 1 404.864 4.066 20 30 HIEDMO C=CCNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000474051770 888890927 /nfs/dbraw/zinc/89/09/27/888890927.db2.gz IVUIGEXLYBVGMK-UHFFFAOYSA-N 1 1 424.492 4.108 20 30 HIEDMO C=CCNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000474051770 888890929 /nfs/dbraw/zinc/89/09/29/888890929.db2.gz IVUIGEXLYBVGMK-UHFFFAOYSA-N 1 1 424.492 4.108 20 30 HIEDMO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000474273651 889137443 /nfs/dbraw/zinc/13/74/43/889137443.db2.gz DYPUPCGQZHHLSE-XMMPIXPASA-N 1 1 414.505 4.238 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396490 890324449 /nfs/dbraw/zinc/32/44/49/890324449.db2.gz IJMVYEQAPSZPIN-LADGPHEKSA-N 1 1 420.532 4.251 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)o2)c1 ZINC000475748315 890692794 /nfs/dbraw/zinc/69/27/94/890692794.db2.gz KUHXHJXEKCVHNV-VWLOTQADSA-N 1 1 413.525 4.096 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000504825126 913542323 /nfs/dbraw/zinc/54/23/23/913542323.db2.gz HMTREUPSKVFKIY-DVECYGJZSA-N 1 1 400.526 4.020 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000476599376 891533667 /nfs/dbraw/zinc/53/36/67/891533667.db2.gz QHJSMTMCPFIKFA-DHIUTWEWSA-N 1 1 403.526 4.204 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000476809684 891795552 /nfs/dbraw/zinc/79/55/52/891795552.db2.gz UNVGPRUVDIXNPI-VGSWGCGISA-N 1 1 419.529 4.005 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000477593817 892669968 /nfs/dbraw/zinc/66/99/68/892669968.db2.gz VUCDUXAMSWYJGQ-OAHLLOKOSA-N 1 1 408.468 4.089 20 30 HIEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC000477760981 892849870 /nfs/dbraw/zinc/84/98/70/892849870.db2.gz GYWIRKNIEHNXIW-OAQYLSRUSA-N 1 1 406.530 4.169 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000477767488 892854692 /nfs/dbraw/zinc/85/46/92/892854692.db2.gz RSFVQUJPMABAAQ-LJQANCHMSA-N 1 1 406.461 4.396 20 30 HIEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](CCC#N)CC2CC2)c2ccccc2)cc1 ZINC000478046237 893187119 /nfs/dbraw/zinc/18/71/19/893187119.db2.gz ZGENJKCBEWSPSO-HSZRJFAPSA-N 1 1 411.571 4.030 20 30 HIEDMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000478253741 893428969 /nfs/dbraw/zinc/42/89/69/893428969.db2.gz MZWYSNYDFWVBLH-OAHLLOKOSA-N 1 1 400.511 4.328 20 30 HIEDMO CC[C@@H](c1nnc(SCC#Cc2ccccc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000478522679 893828493 /nfs/dbraw/zinc/82/84/93/893828493.db2.gz PURKHHNOHJDDAZ-NRFANRHFSA-N 1 1 406.555 4.432 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000505144127 913840086 /nfs/dbraw/zinc/84/00/86/913840086.db2.gz WQPHESLPRXTYQS-UHFFFAOYSA-N 1 1 405.542 4.474 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000505209538 913885043 /nfs/dbraw/zinc/88/50/43/913885043.db2.gz JISWSSYKGPNBPW-LJQANCHMSA-N 1 1 423.561 4.325 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000479493375 894813410 /nfs/dbraw/zinc/81/34/10/894813410.db2.gz ZBMVJHCQHXGHLN-QHCPKHFHSA-N 1 1 409.938 4.474 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1C#N ZINC000480077859 895431009 /nfs/dbraw/zinc/43/10/09/895431009.db2.gz OVBKWJAZINZIIA-FQEVSTJZSA-N 1 1 402.498 4.046 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1C#N ZINC000480077859 895431018 /nfs/dbraw/zinc/43/10/18/895431018.db2.gz OVBKWJAZINZIIA-FQEVSTJZSA-N 1 1 402.498 4.046 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(Br)c1 ZINC000481069729 896391102 /nfs/dbraw/zinc/39/11/02/896391102.db2.gz GELZKWZNXMHAAE-UHFFFAOYSA-N 1 1 424.140 4.117 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169827 896504775 /nfs/dbraw/zinc/50/47/75/896504775.db2.gz GHUMOXXCFPELLU-DHLKQENFSA-N 1 1 418.585 4.050 20 30 HIEDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3Br)ccc2NC1=O ZINC000481302134 896646998 /nfs/dbraw/zinc/64/69/98/896646998.db2.gz SVSBHVWZSOPLDK-SGTLLEGYSA-N 1 1 414.303 4.281 20 30 HIEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000481398124 896804691 /nfs/dbraw/zinc/80/46/91/896804691.db2.gz DXMOKOKIVQFCRB-DEOSSOPVSA-N 1 1 409.493 4.153 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000481595521 896975108 /nfs/dbraw/zinc/97/51/08/896975108.db2.gz HIAMNMWNSWXAOU-QRQCRPRQSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(F)c(F)c1 ZINC000481599157 896978651 /nfs/dbraw/zinc/97/86/51/896978651.db2.gz OZPWSXHLAQSLQY-SPLOXXLWSA-N 1 1 402.441 4.360 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481602879 896982591 /nfs/dbraw/zinc/98/25/91/896982591.db2.gz ATYLXFSTLYNGPQ-QHCPKHFHSA-N 1 1 418.484 4.238 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccc(F)c(F)c1 ZINC000481624930 897009708 /nfs/dbraw/zinc/00/97/08/897009708.db2.gz OTEFFFQGNALNDS-JOCHJYFZSA-N 1 1 415.484 4.292 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686716 897071395 /nfs/dbraw/zinc/07/13/95/897071395.db2.gz BQUJFJOIHBYRKX-DEOSSOPVSA-N 1 1 421.566 4.349 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894320 897271808 /nfs/dbraw/zinc/27/18/08/897271808.db2.gz ZNUPNNFTBJAAEA-PKTZIBPZSA-N 1 1 420.553 4.387 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481904084 897284320 /nfs/dbraw/zinc/28/43/20/897284320.db2.gz KAZYVFNFZQFPAZ-RPWUZVMVSA-N 1 1 419.594 4.305 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481904082 897284844 /nfs/dbraw/zinc/28/48/44/897284844.db2.gz KAZYVFNFZQFPAZ-BJKOFHAPSA-N 1 1 419.594 4.305 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481938514 897324181 /nfs/dbraw/zinc/32/41/81/897324181.db2.gz QABNJHYTONEZEG-UHFFFAOYSA-N 1 1 417.509 4.257 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481938514 897324187 /nfs/dbraw/zinc/32/41/87/897324187.db2.gz QABNJHYTONEZEG-UHFFFAOYSA-N 1 1 417.509 4.257 20 30 HIEDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[NH2+]2)cc1 ZINC000505518080 914208670 /nfs/dbraw/zinc/20/86/70/914208670.db2.gz ZCPMLKDFSOPVGK-HSZRJFAPSA-N 1 1 415.493 4.079 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000482758513 898365231 /nfs/dbraw/zinc/36/52/31/898365231.db2.gz CAJRLQLSWBGLMI-UHFFFAOYSA-N 1 1 423.605 4.389 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Br)cn1 ZINC000482965626 898597586 /nfs/dbraw/zinc/59/75/86/898597586.db2.gz SUQZPIMQKABGEF-MNOVXSKESA-N 1 1 407.699 4.047 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000505583625 914291289 /nfs/dbraw/zinc/29/12/89/914291289.db2.gz DINKWYKHOPDJES-IRLDBZIGSA-N 1 1 419.569 4.161 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 ZINC000483326731 898955319 /nfs/dbraw/zinc/95/53/19/898955319.db2.gz UONXMUUSMAGEPW-UHFFFAOYSA-N 1 1 413.481 4.408 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383931 899017993 /nfs/dbraw/zinc/01/79/93/899017993.db2.gz QUICVTDPJZSJOE-FCHUYYIVSA-N 1 1 420.532 4.251 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424394 899053203 /nfs/dbraw/zinc/05/32/03/899053203.db2.gz DEQAMLRJFQMSJY-UUOWRZLLSA-N 1 1 409.505 4.133 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424394 899053214 /nfs/dbraw/zinc/05/32/14/899053214.db2.gz DEQAMLRJFQMSJY-UUOWRZLLSA-N 1 1 409.505 4.133 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507303 899166910 /nfs/dbraw/zinc/16/69/10/899166910.db2.gz XTFZFFRYGOVDNV-GOTSBHOMSA-N 1 1 413.525 4.095 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507305 899169766 /nfs/dbraw/zinc/16/97/66/899169766.db2.gz XTFZFFRYGOVDNV-PKTZIBPZSA-N 1 1 413.525 4.095 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ncccc3OCCCC#N)cc2)C1 ZINC000483893616 899566366 /nfs/dbraw/zinc/56/63/66/899566366.db2.gz KGSOPWACSJTIFV-LJQANCHMSA-N 1 1 421.545 4.318 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000505692081 914382052 /nfs/dbraw/zinc/38/20/52/914382052.db2.gz OWNDWTDHRHZLGD-DHIUTWEWSA-N 1 1 404.514 4.080 20 30 HIEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000485421497 900720653 /nfs/dbraw/zinc/72/06/53/900720653.db2.gz OYDCPXFTKSZOAF-OAQYLSRUSA-N 1 1 406.530 4.137 20 30 HIEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000485425807 900723918 /nfs/dbraw/zinc/72/39/18/900723918.db2.gz JQDATRYHBXXRMM-OAQYLSRUSA-N 1 1 406.530 4.251 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505849662 914498349 /nfs/dbraw/zinc/49/83/49/914498349.db2.gz BGTVNUFTYDAJHO-MLUDITRGSA-N 1 1 420.557 4.129 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505849662 914498354 /nfs/dbraw/zinc/49/83/54/914498354.db2.gz BGTVNUFTYDAJHO-MLUDITRGSA-N 1 1 420.557 4.129 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COc3ccccc3)C2)sc2c1CCCC2 ZINC000505900572 914541777 /nfs/dbraw/zinc/54/17/77/914541777.db2.gz GDIWIUUQGAAOFB-QGZVFWFLSA-N 1 1 409.555 4.228 20 30 HIEDMO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000486458222 901618659 /nfs/dbraw/zinc/61/86/59/901618659.db2.gz IFGRIDXRIPKUSA-SFHVURJKSA-N 1 1 409.440 4.497 20 30 HIEDMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)CCC2 ZINC000505910942 914555012 /nfs/dbraw/zinc/55/50/12/914555012.db2.gz FNVCKVZGYURHFN-XMMPIXPASA-N 1 1 416.525 4.147 20 30 HIEDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)n2)c1 ZINC000486789305 901855231 /nfs/dbraw/zinc/85/52/31/901855231.db2.gz RHEJOMGRDJIPML-SFHVURJKSA-N 1 1 424.508 4.477 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000486943557 901980971 /nfs/dbraw/zinc/98/09/71/901980971.db2.gz VMCRXTRTJJQQLY-HSZRJFAPSA-N 1 1 406.530 4.250 20 30 HIEDMO CCC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccc(C#N)cc1 ZINC000487378564 902170883 /nfs/dbraw/zinc/17/08/83/902170883.db2.gz LEZVJHHWOFTRGU-UHFFFAOYSA-N 1 1 422.485 4.046 20 30 HIEDMO CCC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccc(C#N)cc1 ZINC000487378564 902170894 /nfs/dbraw/zinc/17/08/94/902170894.db2.gz LEZVJHHWOFTRGU-UHFFFAOYSA-N 1 1 422.485 4.046 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487936953 902467490 /nfs/dbraw/zinc/46/74/90/902467490.db2.gz UTYVREIJMRQLHW-SFHVURJKSA-N 1 1 413.319 4.059 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937325 902467911 /nfs/dbraw/zinc/46/79/11/902467911.db2.gz XJDZCQKZXSCALT-CVEARBPZSA-N 1 1 419.367 4.439 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982191 914646277 /nfs/dbraw/zinc/64/62/77/914646277.db2.gz QHMCSLIUNWJKHG-AZUAARDMSA-N 1 1 401.432 4.298 20 30 HIEDMO CCOc1ccc(C[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1 ZINC000488212641 902694883 /nfs/dbraw/zinc/69/48/83/902694883.db2.gz CGNGDSJBXRXCHO-UHFFFAOYSA-N 1 1 408.452 4.106 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464533 902838620 /nfs/dbraw/zinc/83/86/20/902838620.db2.gz JUSSTPXSOQBNFG-OXJNMPFZSA-N 1 1 402.523 4.133 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000488846099 903039282 /nfs/dbraw/zinc/03/92/82/903039282.db2.gz XQDNBTYAEMAOOM-SFHVURJKSA-N 1 1 421.566 4.035 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489850831 903631443 /nfs/dbraw/zinc/63/14/43/903631443.db2.gz VJYPCEWMYOAVTP-RDPSFJRHSA-N 1 1 404.558 4.389 20 30 HIEDMO C[C@@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000489916966 903672055 /nfs/dbraw/zinc/67/20/55/903672055.db2.gz QSGRXSONLPRGOI-IBGZPJMESA-N 1 1 402.542 4.241 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000490437666 904011234 /nfs/dbraw/zinc/01/12/34/904011234.db2.gz UXHJJRFQKCBSJY-OALUTQOASA-N 1 1 415.541 4.180 20 30 HIEDMO Cn1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000491206298 904482506 /nfs/dbraw/zinc/48/25/06/904482506.db2.gz SKOCTSUUKLVNNK-HSZRJFAPSA-N 1 1 404.489 4.279 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(Br)c1 ZINC000492576641 904870633 /nfs/dbraw/zinc/87/06/33/904870633.db2.gz CFEPZVLJAMITJO-UHFFFAOYSA-N 1 1 413.241 4.373 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000492603707 904875545 /nfs/dbraw/zinc/87/55/45/904875545.db2.gz CDGGOUYSNSXTKE-UHFFFAOYSA-N 1 1 403.345 4.446 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000492662849 904884702 /nfs/dbraw/zinc/88/47/02/904884702.db2.gz YSCVPJJLJGXJTB-FQEVSTJZSA-N 1 1 411.615 4.427 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Oc4ccccc4Cl)CC3)C2=O)cc1 ZINC000492934934 904954607 /nfs/dbraw/zinc/95/46/07/904954607.db2.gz DXQCEFKWZNTMQJ-NRFANRHFSA-N 1 1 409.917 4.250 20 30 HIEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccc(Cl)cc1 ZINC000494222018 905552514 /nfs/dbraw/zinc/55/25/14/905552514.db2.gz BUGZAVOVMJMZCV-MJGOQNOKSA-N 1 1 418.722 4.036 20 30 HIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)c2C1 ZINC000494461373 905744834 /nfs/dbraw/zinc/74/48/34/905744834.db2.gz PRLRZIHHCIMTEY-UHFFFAOYSA-N 1 1 404.514 4.277 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)CCC(F)(F)F ZINC000494578324 905846317 /nfs/dbraw/zinc/84/63/17/905846317.db2.gz HFLNLBIWIUDGGP-ZDUSSCGKSA-N 1 1 421.332 4.142 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)CCC(F)(F)F ZINC000494638224 905877298 /nfs/dbraw/zinc/87/72/98/905877298.db2.gz UBPHKANVVWSDSJ-ZDUSSCGKSA-N 1 1 403.342 4.003 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495364988 906407764 /nfs/dbraw/zinc/40/77/64/906407764.db2.gz XGMDSDGZSQMGAZ-LBPRGKRZSA-N 1 1 423.460 4.466 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495364988 906407771 /nfs/dbraw/zinc/40/77/71/906407771.db2.gz XGMDSDGZSQMGAZ-LBPRGKRZSA-N 1 1 423.460 4.466 20 30 HIEDMO C[N@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](c2ccccc2)C1 ZINC000497403912 906882845 /nfs/dbraw/zinc/88/28/45/906882845.db2.gz NSENFXGYAIAVKW-DQEYMECFSA-N 1 1 411.505 4.373 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000497453634 906927892 /nfs/dbraw/zinc/92/78/92/906927892.db2.gz RUAQRELYVCGZLA-QHCPKHFHSA-N 1 1 409.578 4.216 20 30 HIEDMO C=C(CNC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000512672812 921283032 /nfs/dbraw/zinc/28/30/32/921283032.db2.gz MRKNDIOPFOUABD-UHFFFAOYSA-N 1 1 422.573 4.026 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620609 907097879 /nfs/dbraw/zinc/09/78/79/907097879.db2.gz ZYEBWQOXMKQKPQ-HNNXBMFYSA-N 1 1 405.420 4.156 20 30 HIEDMO N#Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000497995962 907477575 /nfs/dbraw/zinc/47/75/75/907477575.db2.gz YVXMPKXNHGJKNC-UHFFFAOYSA-N 1 1 416.550 4.190 20 30 HIEDMO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000498392758 907876634 /nfs/dbraw/zinc/87/66/34/907876634.db2.gz UNAOMRXUCKNFPU-GOTSBHOMSA-N 1 1 407.514 4.360 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1C ZINC000499564677 908842079 /nfs/dbraw/zinc/84/20/79/908842079.db2.gz SXOOGHHVCJBNPF-OALUTQOASA-N 1 1 406.530 4.392 20 30 HIEDMO Cn1cc(C[NH2+]Cc2cc(F)c(F)cc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000513001118 921466557 /nfs/dbraw/zinc/46/65/57/921466557.db2.gz ASZMQWXBJQDHBG-UHFFFAOYSA-N 1 1 417.257 4.289 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107902 921555836 /nfs/dbraw/zinc/55/58/36/921555836.db2.gz JDKRJQROSXGYLC-MSOLQXFVSA-N 1 1 424.524 4.001 20 30 HIEDMO C=C(CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088005 910285007 /nfs/dbraw/zinc/28/50/07/910285007.db2.gz NBFXSPCFLNBVPC-GHTZIAJQSA-N 1 1 401.913 4.485 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000513155041 921589424 /nfs/dbraw/zinc/58/94/24/921589424.db2.gz UASDPCWCZYFGJN-SFHVURJKSA-N 1 1 416.447 4.003 20 30 HIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695837 910766148 /nfs/dbraw/zinc/76/61/48/910766148.db2.gz IHHBYMNEKGGTRF-HXUWFJFHSA-N 1 1 408.546 4.483 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751785 910810769 /nfs/dbraw/zinc/81/07/69/910810769.db2.gz MBMBQDYCVQVYTF-FQEVSTJZSA-N 1 1 408.546 4.483 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000502152942 911075741 /nfs/dbraw/zinc/07/57/41/911075741.db2.gz CWUFMUJTDNZVDL-NFBKMPQASA-N 1 1 409.578 4.072 20 30 HIEDMO COc1ccc(-c2cnc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 ZINC000502171545 911092837 /nfs/dbraw/zinc/09/28/37/911092837.db2.gz KFWGMEFGQMCQBW-UHFFFAOYSA-N 1 1 416.481 4.073 20 30 HIEDMO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502534584 911539137 /nfs/dbraw/zinc/53/91/37/911539137.db2.gz CJBLUBHJPUJJBS-HXUWFJFHSA-N 1 1 420.557 4.324 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502876703 911878084 /nfs/dbraw/zinc/87/80/84/911878084.db2.gz JHSVRLHTDUVQGX-OAHLLOKOSA-N 1 1 412.559 4.304 20 30 HIEDMO C=CCn1c(SCCC[NH+]2CCOCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000503229861 912210016 /nfs/dbraw/zinc/21/00/16/912210016.db2.gz HSYVLKILSOZPSC-UHFFFAOYSA-N 1 1 400.592 4.243 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000506296354 914891304 /nfs/dbraw/zinc/89/13/04/914891304.db2.gz YHINRRCDIHOYMK-NRFANRHFSA-N 1 1 413.525 4.314 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506477451 915080547 /nfs/dbraw/zinc/08/05/47/915080547.db2.gz BEBUMAHQDXIQSA-GOTSBHOMSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506478310 915081937 /nfs/dbraw/zinc/08/19/37/915081937.db2.gz FZOYPOPWRYSFLO-SQNIBIBYSA-N 1 1 414.619 4.022 20 30 HIEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000506484991 915091330 /nfs/dbraw/zinc/09/13/30/915091330.db2.gz HAKAXAPFOVSWHB-LJQANCHMSA-N 1 1 400.567 4.169 20 30 HIEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000506484991 915091352 /nfs/dbraw/zinc/09/13/52/915091352.db2.gz HAKAXAPFOVSWHB-LJQANCHMSA-N 1 1 400.567 4.169 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560560 915207260 /nfs/dbraw/zinc/20/72/60/915207260.db2.gz HGWPEKZGMBVDAW-WOJBJXKFSA-N 1 1 416.997 4.173 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1SC ZINC000507699259 916479614 /nfs/dbraw/zinc/47/96/14/916479614.db2.gz SHBGZWMGKPXZLD-INIZCTEOSA-N 1 1 415.534 4.323 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1SC ZINC000507699259 916479636 /nfs/dbraw/zinc/47/96/36/916479636.db2.gz SHBGZWMGKPXZLD-INIZCTEOSA-N 1 1 415.534 4.323 20 30 HIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507731339 916525380 /nfs/dbraw/zinc/52/53/80/916525380.db2.gz HVZCBEZUGQLUTO-UHFFFAOYSA-N 1 1 405.542 4.218 20 30 HIEDMO Cn1cc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccc(C#N)cc2)n1 ZINC000507926964 916802611 /nfs/dbraw/zinc/80/26/11/916802611.db2.gz HRJNZCBVGZQUAM-QFIPXVFZSA-N 1 1 400.530 4.438 20 30 HIEDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)c1 ZINC000508271682 917088787 /nfs/dbraw/zinc/08/87/87/917088787.db2.gz NIVCMYAVSAUJSS-QGZVFWFLSA-N 1 1 409.534 4.034 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000508429443 917217625 /nfs/dbraw/zinc/21/76/25/917217625.db2.gz XNTJERALBBZMEF-NFBKMPQASA-N 1 1 407.558 4.446 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508504737 917290299 /nfs/dbraw/zinc/29/02/99/917290299.db2.gz AJZLYZBNFRTTGJ-UTKZUKDTSA-N 1 1 421.570 4.085 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000508604057 917373889 /nfs/dbraw/zinc/37/38/89/917373889.db2.gz LMIVHPADMDRWLB-UHFFFAOYSA-N 1 1 411.505 4.401 20 30 HIEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672716 917437946 /nfs/dbraw/zinc/43/79/46/917437946.db2.gz AXRNKGHJLPNFCK-NRFANRHFSA-N 1 1 400.526 4.325 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508829214 917582150 /nfs/dbraw/zinc/58/21/50/917582150.db2.gz SIVMGGSUKMHLIA-SFTDATJTSA-N 1 1 423.605 4.154 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508850911 917604720 /nfs/dbraw/zinc/60/47/20/917604720.db2.gz WXZBZGRALQFEED-FPOVZHCZSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000508866977 917621797 /nfs/dbraw/zinc/62/17/97/917621797.db2.gz NNXUXPLBAQNQED-FQEVSTJZSA-N 1 1 418.589 4.484 20 30 HIEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508921766 917678972 /nfs/dbraw/zinc/67/89/72/917678972.db2.gz MWUWHQHUDMXKIS-UHFFFAOYSA-N 1 1 408.594 4.173 20 30 HIEDMO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508930997 917690258 /nfs/dbraw/zinc/69/02/58/917690258.db2.gz GINGHLNOXMPXFE-ICSRJNTNSA-N 1 1 403.530 4.330 20 30 HIEDMO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508953575 917710346 /nfs/dbraw/zinc/71/03/46/917710346.db2.gz VBYPJPYYFORPEW-OAQYLSRUSA-N 1 1 403.574 4.376 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)[C@H](C(F)(F)F)C1 ZINC000509197142 917901935 /nfs/dbraw/zinc/90/19/35/917901935.db2.gz QWCVFXOWPFQZOK-BZPMIXESSA-N 1 1 414.365 4.296 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000509373380 918039245 /nfs/dbraw/zinc/03/92/45/918039245.db2.gz PSXBZPDYRCFDDD-HNNXBMFYSA-N 1 1 422.323 4.094 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000509373380 918039258 /nfs/dbraw/zinc/03/92/58/918039258.db2.gz PSXBZPDYRCFDDD-HNNXBMFYSA-N 1 1 422.323 4.094 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000509601110 918250498 /nfs/dbraw/zinc/25/04/98/918250498.db2.gz OCEQJGPUGPBZDC-YADARESESA-N 1 1 416.573 4.366 20 30 HIEDMO CCOC(=O)c1cnn(C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000510576148 919018311 /nfs/dbraw/zinc/01/83/11/919018311.db2.gz CCTDMHCDBFYODO-UHFFFAOYSA-N 1 1 419.447 4.076 20 30 HIEDMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120532 919734200 /nfs/dbraw/zinc/73/42/00/919734200.db2.gz BTMRMIDHATWPOC-UHFFFAOYSA-N 1 1 405.420 4.006 20 30 HIEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120532 919734219 /nfs/dbraw/zinc/73/42/19/919734219.db2.gz BTMRMIDHATWPOC-UHFFFAOYSA-N 1 1 405.420 4.006 20 30 HIEDMO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511378909 919978429 /nfs/dbraw/zinc/97/84/29/919978429.db2.gz MZXFEFZZXCDMJZ-FXAWDEMLSA-N 1 1 404.514 4.128 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2ccccc21 ZINC000511782160 920472795 /nfs/dbraw/zinc/47/27/95/920472795.db2.gz XEWBHLKLDQMIJI-NMVJMZGASA-N 1 1 413.521 4.242 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000512290589 921044910 /nfs/dbraw/zinc/04/49/10/921044910.db2.gz ZRGDLUXXHDMMQM-YDIMBITNSA-N 1 1 409.578 4.240 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1OC ZINC000512295157 921050857 /nfs/dbraw/zinc/05/08/57/921050857.db2.gz SBQOKVPBTTZSLG-UHFFFAOYSA-N 1 1 422.569 4.317 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1OC ZINC000512295157 921050866 /nfs/dbraw/zinc/05/08/66/921050866.db2.gz SBQOKVPBTTZSLG-UHFFFAOYSA-N 1 1 422.569 4.317 20 30 HIEDMO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000513791556 922118354 /nfs/dbraw/zinc/11/83/54/922118354.db2.gz QLRAGSPXYDFZOI-NSHDSACASA-N 1 1 401.290 4.129 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000515509946 923142849 /nfs/dbraw/zinc/14/28/49/923142849.db2.gz DVIAZFIDHUYVQM-JOCHJYFZSA-N 1 1 409.505 4.178 20 30 HIEDMO N#CCCN(C(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000515511380 923143486 /nfs/dbraw/zinc/14/34/86/923143486.db2.gz HNEMXOMAKRHVNT-UHFFFAOYSA-N 1 1 416.997 4.175 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000516318924 923661622 /nfs/dbraw/zinc/66/16/22/923661622.db2.gz VCSYYLSPECGKGH-UHFFFAOYSA-N 1 1 408.594 4.255 20 30 HIEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000516383666 923704955 /nfs/dbraw/zinc/70/49/55/923704955.db2.gz KAYGCQUWKSBGHS-KDURUIRLSA-N 1 1 423.582 4.080 20 30 HIEDMO COc1ccc(Cn2nc(C)c(C[NH+]3CCC(C#N)(c4ccccn4)CC3)c2C)cc1 ZINC000516786936 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YYTODKREJOIZMU-HNNXBMFYSA-N 1 1 409.444 4.156 20 30 HIEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)s1 ZINC000518629643 927390461 /nfs/dbraw/zinc/39/04/61/927390461.db2.gz PCTXUOODZUWPDO-UHFFFAOYSA-N 1 1 407.461 4.341 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000520042987 928265797 /nfs/dbraw/zinc/26/57/97/928265797.db2.gz SVCIDCUBQFHNER-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000520042987 928265813 /nfs/dbraw/zinc/26/58/13/928265813.db2.gz SVCIDCUBQFHNER-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000520117159 928321413 /nfs/dbraw/zinc/32/14/13/928321413.db2.gz ZBWJERHKLAAJCM-NRFANRHFSA-N 1 1 419.569 4.114 20 30 HIEDMO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccc2c(c1)OCCO2 ZINC000520173521 928364799 /nfs/dbraw/zinc/36/47/99/928364799.db2.gz OENUMIQXLCUIEH-RUZDIDTESA-N 1 1 421.541 4.053 20 30 HIEDMO 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C[C@@H](CCO)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000537854383 938391139 /nfs/dbraw/zinc/39/11/39/938391139.db2.gz HHSWQSMIMUBNPU-KRWDZBQOSA-N 1 1 411.571 4.100 20 30 HIEDMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000537854383 938391144 /nfs/dbraw/zinc/39/11/44/938391144.db2.gz HHSWQSMIMUBNPU-KRWDZBQOSA-N 1 1 411.571 4.100 20 30 HIEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl ZINC000538140406 938517699 /nfs/dbraw/zinc/51/76/99/938517699.db2.gz KGJAVOQEKJBIRE-NSHDSACASA-N 1 1 401.290 4.129 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000538436091 938620039 /nfs/dbraw/zinc/62/00/39/938620039.db2.gz HRSWFNKZSDPPTD-UHFFFAOYSA-N 1 1 422.529 4.173 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689188 /nfs/dbraw/zinc/68/91/88/938689188.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689191 /nfs/dbraw/zinc/68/91/91/938689191.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689194 /nfs/dbraw/zinc/68/91/94/938689194.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 1 1 411.384 4.327 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](Cc4nc(C5CCCCCC5)no4)C3)n2c1 ZINC000538802897 938716515 /nfs/dbraw/zinc/71/65/15/938716515.db2.gz ZGGXTHPJZTYSGP-GOSISDBHSA-N 1 1 418.545 4.481 20 30 HIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](Cc4nc(C5CCCCCC5)no4)C3)n2c1 ZINC000538802897 938716516 /nfs/dbraw/zinc/71/65/16/938716516.db2.gz ZGGXTHPJZTYSGP-GOSISDBHSA-N 1 1 418.545 4.481 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000538861776 938727147 /nfs/dbraw/zinc/72/71/47/938727147.db2.gz QLKKXTDUWSTENV-UHFFFAOYSA-N 1 1 407.945 4.269 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000538861776 938727149 /nfs/dbraw/zinc/72/71/49/938727149.db2.gz QLKKXTDUWSTENV-UHFFFAOYSA-N 1 1 407.945 4.269 20 30 HIEDMO CC(C)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1Br ZINC000539324429 938841396 /nfs/dbraw/zinc/84/13/96/938841396.db2.gz DJGLFJSFJALPBQ-UHFFFAOYSA-N 1 1 400.320 4.221 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2ccccc2Br)c(C#N)c1C ZINC000539326743 938842059 /nfs/dbraw/zinc/84/20/59/938842059.db2.gz WVNPLGHDRLRCGL-UHFFFAOYSA-N 1 1 406.349 4.463 20 30 HIEDMO N#CC1(c2ccc(C(=O)Nc3ccnn3[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000539666814 938897378 /nfs/dbraw/zinc/89/73/78/938897378.db2.gz SGXHBXIZPZKUCS-QFIPXVFZSA-N 1 1 411.509 4.138 20 30 HIEDMO Cc1nsc(N2CCC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000539820706 938944182 /nfs/dbraw/zinc/94/41/82/938944182.db2.gz PIQOBPKAXBUBOC-UHFFFAOYSA-N 1 1 419.554 4.010 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000539882143 938965283 /nfs/dbraw/zinc/96/52/83/938965283.db2.gz LKRXHYUPAUVMPA-HXUWFJFHSA-N 1 1 421.932 4.101 20 30 HIEDMO C[N@@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1)C1CC1 ZINC000540331917 939197614 /nfs/dbraw/zinc/19/76/14/939197614.db2.gz SGTUAAHDLRRESI-UHFFFAOYSA-N 1 1 423.460 4.015 20 30 HIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540367153 939212231 /nfs/dbraw/zinc/21/22/31/939212231.db2.gz CQGKYKGNLVUPMD-HNNXBMFYSA-N 1 1 424.476 4.055 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000540715964 939346745 /nfs/dbraw/zinc/34/67/45/939346745.db2.gz UYROYTUPYBVCCA-QHCPKHFHSA-N 1 1 400.567 4.047 20 30 HIEDMO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542225634 939764694 /nfs/dbraw/zinc/76/46/94/939764694.db2.gz BTGXZFVLOGSDIW-UHFFFAOYSA-N 1 1 418.324 4.025 20 30 HIEDMO COc1cc(CN2CCC3(CCC[N@H+]3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000542265189 939777745 /nfs/dbraw/zinc/77/77/45/939777745.db2.gz FLIHGXCPMTYKHK-UHFFFAOYSA-N 1 1 405.542 4.206 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)C[N@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2c1 ZINC000542321867 939799528 /nfs/dbraw/zinc/79/95/28/939799528.db2.gz PNYIMYQCIZJGRC-UHFFFAOYSA-N 1 1 413.521 4.343 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2c1 ZINC000542321867 939799533 /nfs/dbraw/zinc/79/95/33/939799533.db2.gz PNYIMYQCIZJGRC-UHFFFAOYSA-N 1 1 413.521 4.343 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629182 939850272 /nfs/dbraw/zinc/85/02/72/939850272.db2.gz XLUQASXVWOFGIL-MJGOQNOKSA-N 1 1 401.507 4.166 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542957867 939885870 /nfs/dbraw/zinc/88/58/70/939885870.db2.gz VJKSERBOMWGEBW-UHFFFAOYSA-N 1 1 420.492 4.045 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000543197384 939992339 /nfs/dbraw/zinc/99/23/39/939992339.db2.gz JGOMCFNVTCOMBD-LJQANCHMSA-N 1 1 402.416 4.106 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459550 940069514 /nfs/dbraw/zinc/06/95/14/940069514.db2.gz VYNCXFWGTRKMER-FSSWDIPSSA-N 1 1 410.606 4.181 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)c3cnn(C)c3)sc2C1 ZINC000543505513 940088273 /nfs/dbraw/zinc/08/82/73/940088273.db2.gz STTMTVIWDLXARW-HOCLYGCPSA-N 1 1 413.591 4.184 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543585053 940119528 /nfs/dbraw/zinc/11/95/28/940119528.db2.gz FFYLVUZYEYEIKY-JKSUJKDBSA-N 1 1 401.576 4.107 20 30 HIEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025329 940303030 /nfs/dbraw/zinc/30/30/30/940303030.db2.gz KKSKGZQYMAASJT-PELKAZGASA-N 1 1 422.291 4.396 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000547064358 940980604 /nfs/dbraw/zinc/98/06/04/940980604.db2.gz KELLVTLTFRHDQR-OAQYLSRUSA-N 1 1 402.498 4.032 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000549097417 941157978 /nfs/dbraw/zinc/15/79/78/941157978.db2.gz ABXUWNKGCNXDFY-KRWDZBQOSA-N 1 1 420.948 4.373 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549249613 941174157 /nfs/dbraw/zinc/17/41/57/941174157.db2.gz GHHNZPNMBPBVHU-JTHBVZDNSA-N 1 1 416.573 4.340 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549690652 941204715 /nfs/dbraw/zinc/20/47/15/941204715.db2.gz IFBCUOQHXBKOKA-RTWAWAEBSA-N 1 1 408.594 4.315 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000549743931 941206220 /nfs/dbraw/zinc/20/62/20/941206220.db2.gz KEFQPMFVRLMCSI-QGZVFWFLSA-N 1 1 422.838 4.192 20 30 HIEDMO COC(=O)c1cccc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)c1C#N ZINC000550008452 941264241 /nfs/dbraw/zinc/26/42/41/941264241.db2.gz VIIAOKTYCWMPIG-UHFFFAOYSA-N 1 1 414.505 4.319 20 30 HIEDMO COC(=O)c1cccc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)c1C#N ZINC000550008452 941264244 /nfs/dbraw/zinc/26/42/44/941264244.db2.gz VIIAOKTYCWMPIG-UHFFFAOYSA-N 1 1 414.505 4.319 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000551404993 941470914 /nfs/dbraw/zinc/47/09/14/941470914.db2.gz MVAHJPUOKCNTTI-UTKZUKDTSA-N 1 1 419.550 4.101 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000551404993 941470915 /nfs/dbraw/zinc/47/09/15/941470915.db2.gz MVAHJPUOKCNTTI-UTKZUKDTSA-N 1 1 419.550 4.101 20 30 HIEDMO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000551412998 941473894 /nfs/dbraw/zinc/47/38/94/941473894.db2.gz DEGYYKPCHKBHGT-HNNXBMFYSA-N 1 1 420.485 4.255 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125161 941589853 /nfs/dbraw/zinc/58/98/53/941589853.db2.gz LFCVRTAPPKALPM-QHCPKHFHSA-N 1 1 421.491 4.331 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000552429412 941668934 /nfs/dbraw/zinc/66/89/34/941668934.db2.gz BZMQXQWXKSIKJF-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000552429412 941668943 /nfs/dbraw/zinc/66/89/43/941668943.db2.gz BZMQXQWXKSIKJF-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]([NH2+]Cc3ccccc3)c3ccco3)on2)c1 ZINC000553213649 941850578 /nfs/dbraw/zinc/85/05/78/941850578.db2.gz JTFODXIPVWRTLJ-OAQYLSRUSA-N 1 1 412.449 4.067 20 30 HIEDMO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554626625 942178638 /nfs/dbraw/zinc/17/86/38/942178638.db2.gz WHFYHRKEUQHTCA-UHFFFAOYSA-N 1 1 420.561 4.343 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000554931232 942323498 /nfs/dbraw/zinc/32/34/98/942323498.db2.gz ZTFJOODYSPROFY-FQEVSTJZSA-N 1 1 412.541 4.104 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)cc1 ZINC000555025075 942361448 /nfs/dbraw/zinc/36/14/48/942361448.db2.gz ZSQZGGKEQOBQDS-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)cc1 ZINC000555025075 942361452 /nfs/dbraw/zinc/36/14/52/942361452.db2.gz ZSQZGGKEQOBQDS-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555237833 942440445 /nfs/dbraw/zinc/44/04/45/942440445.db2.gz QUSJREQMTRHMMT-UWHLTILDSA-N 1 1 401.599 4.043 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555241100 942442288 /nfs/dbraw/zinc/44/22/88/942442288.db2.gz YLXNLUHDNBWREC-QFIPXVFZSA-N 1 1 416.573 4.183 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000556545536 942896373 /nfs/dbraw/zinc/89/63/73/942896373.db2.gz LWURNTFSMUARTM-HXUWFJFHSA-N 1 1 408.521 4.294 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1Cl ZINC000557224221 943055858 /nfs/dbraw/zinc/05/58/58/943055858.db2.gz FOKVDRSLPYTORC-HSZRJFAPSA-N 1 1 404.901 4.447 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558448027 943561162 /nfs/dbraw/zinc/56/11/62/943561162.db2.gz ORXDGKFLOXOFGP-BLKABHOGSA-N 1 1 409.578 4.223 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558448028 943561287 /nfs/dbraw/zinc/56/12/87/943561287.db2.gz ORXDGKFLOXOFGP-SEIRJHJZSA-N 1 1 409.578 4.223 20 30 HIEDMO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)CC2)o1 ZINC000558977748 943781271 /nfs/dbraw/zinc/78/12/71/943781271.db2.gz FERQEQSMUDVAFC-QGZVFWFLSA-N 1 1 421.545 4.084 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000559008204 943801769 /nfs/dbraw/zinc/80/17/69/943801769.db2.gz RLRGPQRDYWSNDJ-GOSISDBHSA-N 1 1 418.570 4.338 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687422 944029801 /nfs/dbraw/zinc/02/98/01/944029801.db2.gz YJNAUIDEXDKJGX-NHCUHLMSSA-N 1 1 417.538 4.172 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579327 944261484 /nfs/dbraw/zinc/26/14/84/944261484.db2.gz GHYNVJDSOMCXBI-XUZZJYLKSA-N 1 1 417.528 4.242 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(NCCc3[nH+]ccn3Cc3ccccc3)c2c1 ZINC000561103681 944452292 /nfs/dbraw/zinc/45/22/92/944452292.db2.gz MEAHWYDHGZJZAA-UHFFFAOYSA-N 1 1 413.481 4.023 20 30 HIEDMO C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000561535994 944661035 /nfs/dbraw/zinc/66/10/35/944661035.db2.gz OABQSHHRQKPYFF-QGZVFWFLSA-N 1 1 407.489 4.436 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561877845 944833284 /nfs/dbraw/zinc/83/32/84/944833284.db2.gz SEAYCQOCYJKTPP-HSZRJFAPSA-N 1 1 407.558 4.305 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc2)ccn1 ZINC000562226760 945031196 /nfs/dbraw/zinc/03/11/96/945031196.db2.gz FRNWFPSJPHWQJO-HSZRJFAPSA-N 1 1 416.456 4.488 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc2)ccn1 ZINC000562226760 945031210 /nfs/dbraw/zinc/03/12/10/945031210.db2.gz FRNWFPSJPHWQJO-HSZRJFAPSA-N 1 1 416.456 4.488 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000564157376 945404975 /nfs/dbraw/zinc/40/49/75/945404975.db2.gz PMUAGULCAZINAO-LJQANCHMSA-N 1 1 401.510 4.037 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000564157376 945404983 /nfs/dbraw/zinc/40/49/83/945404983.db2.gz PMUAGULCAZINAO-LJQANCHMSA-N 1 1 401.510 4.037 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000564157368 945405601 /nfs/dbraw/zinc/40/56/01/945405601.db2.gz PMUAGULCAZINAO-IBGZPJMESA-N 1 1 401.510 4.037 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000564157368 945405623 /nfs/dbraw/zinc/40/56/23/945405623.db2.gz PMUAGULCAZINAO-IBGZPJMESA-N 1 1 401.510 4.037 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566374215 946012214 /nfs/dbraw/zinc/01/22/14/946012214.db2.gz UMUBVEZORNRPAI-YVNJGZBMSA-N 1 1 409.578 4.051 20 30 HIEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000566702156 946075348 /nfs/dbraw/zinc/07/53/48/946075348.db2.gz XKBHJNJDROCAPO-ZWKOTPCHSA-N 1 1 405.498 4.019 20 30 HIEDMO CC1([N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000568425723 946539209 /nfs/dbraw/zinc/53/92/09/946539209.db2.gz UNHYNZPINWWNEM-UHFFFAOYSA-N 1 1 405.498 4.450 20 30 HIEDMO CCC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000568538972 946580847 /nfs/dbraw/zinc/58/08/47/946580847.db2.gz OAGVDEWVUYBYFD-UHFFFAOYSA-N 1 1 407.411 4.245 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000568536825 946580978 /nfs/dbraw/zinc/58/09/78/946580978.db2.gz WDVJZNDUVVBKFZ-UNMCSNQZSA-N 1 1 418.589 4.484 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569674795 946937117 /nfs/dbraw/zinc/93/71/17/946937117.db2.gz LEHYZBWJRBSFME-OYRHEFFESA-N 1 1 423.605 4.155 20 30 HIEDMO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000569970373 947057147 /nfs/dbraw/zinc/05/71/47/947057147.db2.gz MKFQUZFGLKCTFX-GOTSBHOMSA-N 1 1 421.589 4.164 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535880 947279405 /nfs/dbraw/zinc/27/94/05/947279405.db2.gz AXWXZEKHTFYJJE-SFTDATJTSA-N 1 1 400.482 4.120 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535880 947279427 /nfs/dbraw/zinc/27/94/27/947279427.db2.gz AXWXZEKHTFYJJE-SFTDATJTSA-N 1 1 400.482 4.120 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000570811210 947360410 /nfs/dbraw/zinc/36/04/10/947360410.db2.gz XCDUXOXKXXKSME-HNNXBMFYSA-N 1 1 416.447 4.276 20 30 HIEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000574744211 948519732 /nfs/dbraw/zinc/51/97/32/948519732.db2.gz PNSZUAPSBBULOQ-UHFFFAOYSA-N 1 1 415.468 4.448 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575028911 948577141 /nfs/dbraw/zinc/57/71/41/948577141.db2.gz SNYRDHVBCKVLAJ-NIRIFSCTSA-N 1 1 421.589 4.054 20 30 HIEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722409 720482306 /nfs/dbraw/zinc/48/23/06/720482306.db2.gz AFQXPHILTMTKGB-UXHICEINSA-N 1 1 407.880 4.147 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164841094 720690595 /nfs/dbraw/zinc/69/05/95/720690595.db2.gz HTDNQQXICPJQIJ-HSZRJFAPSA-N 1 1 416.569 4.287 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164838196 720712176 /nfs/dbraw/zinc/71/21/76/720712176.db2.gz HCYDWNIFROQEQO-QHCPKHFHSA-N 1 1 416.569 4.092 20 30 HIEDMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)cc1C#N ZINC001164836993 720727627 /nfs/dbraw/zinc/72/76/27/720727627.db2.gz CMWCEGFWFVLNQX-FQEVSTJZSA-N 1 1 410.949 4.175 20 30 HIEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909890 721551419 /nfs/dbraw/zinc/55/14/19/721551419.db2.gz VDLGEOZVZMWZSK-AEFFLSMTSA-N 1 1 422.891 4.241 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908487 721586341 /nfs/dbraw/zinc/58/63/41/721586341.db2.gz ZLBMNJWSQLFKQI-JOCHJYFZSA-N 1 1 411.500 4.209 20 30 HIEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921019 721866259 /nfs/dbraw/zinc/86/62/59/721866259.db2.gz BVOXBDWNYITFJJ-LEWJYISDSA-N 1 1 417.582 4.050 20 30 HIEDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921019 721866260 /nfs/dbraw/zinc/86/62/60/721866260.db2.gz BVOXBDWNYITFJJ-LEWJYISDSA-N 1 1 417.582 4.050 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000017517670 846255660 /nfs/dbraw/zinc/25/56/60/846255660.db2.gz IIJTWNXYCNXFKE-UHFFFAOYSA-N 1 1 416.497 4.064 20 30 HIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406121 846439171 /nfs/dbraw/zinc/43/91/71/846439171.db2.gz DLJZQAZKNBNCFR-GOSISDBHSA-N 1 1 410.949 4.055 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000436365377 861699100 /nfs/dbraw/zinc/69/91/00/861699100.db2.gz PFQPDDMZZGDOEC-HSZRJFAPSA-N 1 1 424.589 4.419 20 30 HIEDMO N#Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000023008978 846647761 /nfs/dbraw/zinc/64/77/61/846647761.db2.gz VANUNULBODCREX-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000023008978 846647771 /nfs/dbraw/zinc/64/77/71/846647771.db2.gz VANUNULBODCREX-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023751998 846745812 /nfs/dbraw/zinc/74/58/12/846745812.db2.gz LATAHSCVWVVHSX-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023751998 846745817 /nfs/dbraw/zinc/74/58/17/846745817.db2.gz LATAHSCVWVVHSX-UHFFFAOYSA-N 1 1 405.542 4.103 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1C#N ZINC000027389176 847295346 /nfs/dbraw/zinc/29/53/46/847295346.db2.gz NKNOVBWRIWTVIF-UHFFFAOYSA-N 1 1 420.582 4.209 20 30 HIEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)cc1 ZINC000028637247 847439468 /nfs/dbraw/zinc/43/94/68/847439468.db2.gz CIMSZLWMDVXEQC-UHFFFAOYSA-N 1 1 420.488 4.184 20 30 HIEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)cc1 ZINC000028637247 847439472 /nfs/dbraw/zinc/43/94/72/847439472.db2.gz CIMSZLWMDVXEQC-UHFFFAOYSA-N 1 1 420.488 4.184 20 30 HIEDMO N#Cc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000028886635 847471594 /nfs/dbraw/zinc/47/15/94/847471594.db2.gz DOAZQRDHSNXKAE-UHFFFAOYSA-N 1 1 415.459 4.244 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000028961021 847484381 /nfs/dbraw/zinc/48/43/81/847484381.db2.gz QKVUQZSEBMRIIY-UHFFFAOYSA-N 1 1 424.548 4.372 20 30 HIEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000029858982 847635664 /nfs/dbraw/zinc/63/56/64/847635664.db2.gz DOFNWAMRCBZLLW-UHFFFAOYSA-N 1 1 414.484 4.272 20 30 HIEDMO Cc1nc(-c2cccs2)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985501 847663801 /nfs/dbraw/zinc/66/38/01/847663801.db2.gz RBVNZVNVBVZUGN-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(-c2cccs2)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985501 847663804 /nfs/dbraw/zinc/66/38/04/847663804.db2.gz RBVNZVNVBVZUGN-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cc1 ZINC000029985522 847664532 /nfs/dbraw/zinc/66/45/32/847664532.db2.gz NPORFDKMRSUBMW-UHFFFAOYSA-N 1 1 419.528 4.306 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cc1 ZINC000029985522 847664536 /nfs/dbraw/zinc/66/45/36/847664536.db2.gz NPORFDKMRSUBMW-UHFFFAOYSA-N 1 1 419.528 4.306 20 30 HIEDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)sc2C1 ZINC000033245102 848133227 /nfs/dbraw/zinc/13/32/27/848133227.db2.gz ZUJKBTIVLTYLBB-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)sc2C1 ZINC000033245102 848133234 /nfs/dbraw/zinc/13/32/34/848133234.db2.gz ZUJKBTIVLTYLBB-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO Cc1nc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2s1 ZINC000043375752 848414825 /nfs/dbraw/zinc/41/48/25/848414825.db2.gz PAUFIIPZQSUCPH-UHFFFAOYSA-N 1 1 405.527 4.216 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047127796 848990489 /nfs/dbraw/zinc/99/04/89/848990489.db2.gz PFUYFJRLCLTJPK-RTBURBONSA-N 1 1 413.587 4.255 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801367 849628962 /nfs/dbraw/zinc/62/89/62/849628962.db2.gz KKDPGDPTWPLVAV-IBGZPJMESA-N 1 1 404.558 4.222 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801367 849628966 /nfs/dbraw/zinc/62/89/66/849628966.db2.gz KKDPGDPTWPLVAV-IBGZPJMESA-N 1 1 404.558 4.222 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000056992611 850531504 /nfs/dbraw/zinc/53/15/04/850531504.db2.gz VHOLDKGLCOJXPT-UHFFFAOYSA-N 1 1 416.447 4.041 20 30 HIEDMO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1SC ZINC000058528654 850846017 /nfs/dbraw/zinc/84/60/17/850846017.db2.gz WCBPYNQXZKZFFP-UHFFFAOYSA-N 1 1 411.571 4.413 20 30 HIEDMO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1SC ZINC000058528654 850846020 /nfs/dbraw/zinc/84/60/20/850846020.db2.gz WCBPYNQXZKZFFP-UHFFFAOYSA-N 1 1 411.571 4.413 20 30 HIEDMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000058580314 850861578 /nfs/dbraw/zinc/86/15/78/850861578.db2.gz PMPWHUBJJVHZPQ-UHFFFAOYSA-N 1 1 401.514 4.444 20 30 HIEDMO CC(C)c1ccc(-c2noc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000058580314 850861582 /nfs/dbraw/zinc/86/15/82/850861582.db2.gz PMPWHUBJJVHZPQ-UHFFFAOYSA-N 1 1 401.514 4.444 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000063300268 851654921 /nfs/dbraw/zinc/65/49/21/851654921.db2.gz ZDXFZDGOTYWPAW-UHFFFAOYSA-N 1 1 413.525 4.378 20 30 HIEDMO Cc1cccc(C(C)(C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063409054 851682018 /nfs/dbraw/zinc/68/20/18/851682018.db2.gz SQBUCGGLUCUXTN-UHFFFAOYSA-N 1 1 404.558 4.062 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000063750548 851754660 /nfs/dbraw/zinc/75/46/60/851754660.db2.gz FCCOPIKTWYACAO-UHFFFAOYSA-N 1 1 420.376 4.251 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000064448053 851900379 /nfs/dbraw/zinc/90/03/79/851900379.db2.gz ZCDXELYYZOMREA-UHFFFAOYSA-N 1 1 401.432 4.314 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071809391 852409285 /nfs/dbraw/zinc/40/92/85/852409285.db2.gz DFVFOACLFICNFO-LJQANCHMSA-N 1 1 412.555 4.290 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000071809391 852409289 /nfs/dbraw/zinc/40/92/89/852409289.db2.gz DFVFOACLFICNFO-LJQANCHMSA-N 1 1 412.555 4.290 20 30 HIEDMO Cc1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc(C)c1OCC(F)(F)F ZINC000071966273 852449458 /nfs/dbraw/zinc/44/94/58/852449458.db2.gz OMNOJDCMNVEHPL-UHFFFAOYSA-N 1 1 411.468 4.019 20 30 HIEDMO Cc1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc(C)c1OCC(F)(F)F ZINC000071966273 852449460 /nfs/dbraw/zinc/44/94/60/852449460.db2.gz OMNOJDCMNVEHPL-UHFFFAOYSA-N 1 1 411.468 4.019 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000108055271 852819848 /nfs/dbraw/zinc/81/98/48/852819848.db2.gz KLITZXHUKXTAKZ-UHFFFAOYSA-N 1 1 411.933 4.105 20 30 HIEDMO CN(C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1(C#N)CCCCC1 ZINC000108122943 852823915 /nfs/dbraw/zinc/82/39/15/852823915.db2.gz ODKQVVJZBFTLJF-UHFFFAOYSA-N 1 1 414.937 4.345 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000111045741 853193326 /nfs/dbraw/zinc/19/33/26/853193326.db2.gz NPZOYMYISYZCDP-JTSKRJEESA-N 1 1 404.539 4.303 20 30 HIEDMO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990103 853276786 /nfs/dbraw/zinc/27/67/86/853276786.db2.gz RLTSVKVGMLJSAV-WMZHIEFXSA-N 1 1 407.583 4.475 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000139936853 853426939 /nfs/dbraw/zinc/42/69/39/853426939.db2.gz ZYEZDMCRMYEKKG-GCJKJVERSA-N 1 1 411.571 4.052 20 30 HIEDMO CC(=O)N(c1nc(C[NH2+]CCOc2ccc(C#N)cc2)cs1)c1ccc(F)cc1 ZINC000236788688 853923523 /nfs/dbraw/zinc/92/35/23/853923523.db2.gz HJSIGYNEBZRSBA-UHFFFAOYSA-N 1 1 410.474 4.007 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3c(C#N)cnc4c(C)cc(F)cc43)CC2)oc1C ZINC000301404620 854384085 /nfs/dbraw/zinc/38/40/85/854384085.db2.gz STQWDVRBWNAGOB-UHFFFAOYSA-N 1 1 407.493 4.483 20 30 HIEDMO N#Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301411026 854386575 /nfs/dbraw/zinc/38/65/75/854386575.db2.gz PAICDSFCIICNHY-HNNXBMFYSA-N 1 1 407.499 4.400 20 30 HIEDMO N#Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301442015 854394916 /nfs/dbraw/zinc/39/49/16/854394916.db2.gz YFLLOHACUZDFRC-UHFFFAOYSA-N 1 1 415.497 4.160 20 30 HIEDMO Cc1cc(N2CCC(Nc3c(C#N)cnc4ccc(OC(F)F)cc43)CC2)nc(C)[nH+]1 ZINC000301550623 854419131 /nfs/dbraw/zinc/41/91/31/854419131.db2.gz MBEMMTGSRHEQRF-UHFFFAOYSA-N 1 1 424.455 4.196 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301659588 854438705 /nfs/dbraw/zinc/43/87/05/854438705.db2.gz CBWXRTUCFMRPAL-RBUKOAKNSA-N 1 1 400.448 4.463 20 30 HIEDMO CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301675303 854443048 /nfs/dbraw/zinc/44/30/48/854443048.db2.gz SASDRBRQBGLKCC-QZTJIDSGSA-N 1 1 404.436 4.064 20 30 HIEDMO CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301675303 854443053 /nfs/dbraw/zinc/44/30/53/854443053.db2.gz SASDRBRQBGLKCC-QZTJIDSGSA-N 1 1 404.436 4.064 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301680879 854443601 /nfs/dbraw/zinc/44/36/01/854443601.db2.gz SSXPFYLEEIQHKH-QGZVFWFLSA-N 1 1 407.518 4.496 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(Cl)cc3Br)CC2)cc1 ZINC000302597967 854589139 /nfs/dbraw/zinc/58/91/39/854589139.db2.gz XWAXKMIMNNVWRC-UHFFFAOYSA-N 1 1 405.727 4.081 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(Cl)cc3Br)CC2)cc1 ZINC000302597967 854589146 /nfs/dbraw/zinc/58/91/46/854589146.db2.gz XWAXKMIMNNVWRC-UHFFFAOYSA-N 1 1 405.727 4.081 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc2c(c1)OCO2 ZINC000302809154 854641924 /nfs/dbraw/zinc/64/19/24/854641924.db2.gz SWYKLUPUXHADSQ-UHFFFAOYSA-N 1 1 411.527 4.078 20 30 HIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303235760 854829184 /nfs/dbraw/zinc/82/91/84/854829184.db2.gz ZHDRRIAUMMAXHC-HXUWFJFHSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303235760 854829187 /nfs/dbraw/zinc/82/91/87/854829187.db2.gz ZHDRRIAUMMAXHC-HXUWFJFHSA-N 1 1 416.443 4.019 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000303386308 854903907 /nfs/dbraw/zinc/90/39/07/854903907.db2.gz NUMUADJXOKRHSB-MRXNPFEDSA-N 1 1 401.507 4.027 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000303386308 854903916 /nfs/dbraw/zinc/90/39/16/854903916.db2.gz NUMUADJXOKRHSB-MRXNPFEDSA-N 1 1 401.507 4.027 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533822 855019582 /nfs/dbraw/zinc/01/95/82/855019582.db2.gz FGDSRRARSVGSLL-RTWAWAEBSA-N 1 1 406.574 4.324 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533823 855019813 /nfs/dbraw/zinc/01/98/13/855019813.db2.gz FGDSRRARSVGSLL-SFTDATJTSA-N 1 1 406.574 4.324 20 30 HIEDMO CC1CCN([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccccc2)CC1 ZINC000303892725 855273765 /nfs/dbraw/zinc/27/37/65/855273765.db2.gz RKVUCLZBPOZIIT-OAQYLSRUSA-N 1 1 408.546 4.048 20 30 HIEDMO CC(C)Oc1ccc(NC(=[NH2+])NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000304764847 855358818 /nfs/dbraw/zinc/35/88/18/855358818.db2.gz YNTGRRSFXQAYOQ-LJQANCHMSA-N 1 1 410.562 4.100 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409460876 855490126 /nfs/dbraw/zinc/49/01/26/855490126.db2.gz JMBMDFNCNVIUCJ-IBGZPJMESA-N 1 1 413.525 4.048 20 30 HIEDMO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1 ZINC000409657283 855587757 /nfs/dbraw/zinc/58/77/57/855587757.db2.gz NWJSUPNGKQRYMY-UHFFFAOYSA-N 1 1 421.570 4.253 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)c1 ZINC000426392431 856272011 /nfs/dbraw/zinc/27/20/11/856272011.db2.gz YVTMIENBYNGAMC-HZPDHXFCSA-N 1 1 422.451 4.029 20 30 HIEDMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437416897 862786534 /nfs/dbraw/zinc/78/65/34/862786534.db2.gz GDVZOUJPXIUEJV-UHFFFAOYSA-N 1 1 415.440 4.019 20 30 HIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000428396566 857189853 /nfs/dbraw/zinc/18/98/53/857189853.db2.gz DCRLEJDBUPBEJU-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 ZINC000428772606 857329441 /nfs/dbraw/zinc/32/94/41/857329441.db2.gz MTFQYNFMSGNQFS-SFHVURJKSA-N 1 1 414.387 4.280 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 ZINC000428772606 857329444 /nfs/dbraw/zinc/32/94/44/857329444.db2.gz MTFQYNFMSGNQFS-SFHVURJKSA-N 1 1 414.387 4.280 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773994 857330994 /nfs/dbraw/zinc/33/09/94/857330994.db2.gz UEZVCMLZTVMGNO-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773994 857330999 /nfs/dbraw/zinc/33/09/99/857330999.db2.gz UEZVCMLZTVMGNO-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428877332 857383561 /nfs/dbraw/zinc/38/35/61/857383561.db2.gz AHVZTASQNGFXCD-FQEVSTJZSA-N 1 1 410.562 4.423 20 30 HIEDMO OC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(F)c1 ZINC000429002421 857451603 /nfs/dbraw/zinc/45/16/03/857451603.db2.gz HOMTVWPGGGRKPI-QGZVFWFLSA-N 1 1 416.212 4.282 20 30 HIEDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289104 857591739 /nfs/dbraw/zinc/59/17/39/857591739.db2.gz XTPGTFVIJOGBPN-SFHVURJKSA-N 1 1 402.608 4.495 20 30 HIEDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289104 857591745 /nfs/dbraw/zinc/59/17/45/857591745.db2.gz XTPGTFVIJOGBPN-SFHVURJKSA-N 1 1 402.608 4.495 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157236 858057202 /nfs/dbraw/zinc/05/72/02/858057202.db2.gz PSRXTLFSWRHERW-DEOSSOPVSA-N 1 1 410.477 4.057 20 30 HIEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430180591 858069232 /nfs/dbraw/zinc/06/92/32/858069232.db2.gz RPOCAVQZGBHDQR-HXUWFJFHSA-N 1 1 407.905 4.063 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185463 858071577 /nfs/dbraw/zinc/07/15/77/858071577.db2.gz HOBIUTZUBZUXDP-DEOSSOPVSA-N 1 1 410.477 4.057 20 30 HIEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188466 858073332 /nfs/dbraw/zinc/07/33/32/858073332.db2.gz SDNJOSDSLKTBQP-HXUWFJFHSA-N 1 1 421.932 4.122 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826261 858319068 /nfs/dbraw/zinc/31/90/68/858319068.db2.gz VERGXHWIGUZEPF-GCJKJVERSA-N 1 1 401.514 4.093 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909558 858366202 /nfs/dbraw/zinc/36/62/02/858366202.db2.gz ARTFMYPTBQBDAS-ZWKOTPCHSA-N 1 1 406.933 4.386 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909558 858366209 /nfs/dbraw/zinc/36/62/09/858366209.db2.gz ARTFMYPTBQBDAS-ZWKOTPCHSA-N 1 1 406.933 4.386 20 30 HIEDMO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431419096 858605945 /nfs/dbraw/zinc/60/59/45/858605945.db2.gz CRTXLQUOTMAPGB-HUVFLSCGSA-N 1 1 417.553 4.101 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608900 858687750 /nfs/dbraw/zinc/68/77/50/858687750.db2.gz LMVXSOIOICYXEZ-QHCPKHFHSA-N 1 1 415.493 4.194 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431698035 858746773 /nfs/dbraw/zinc/74/67/73/858746773.db2.gz QYONVHYWZFNVII-GBXCKJPGSA-N 1 1 402.542 4.309 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935163 858877086 /nfs/dbraw/zinc/87/70/86/858877086.db2.gz GFYDQZSQFKIFDZ-UPVQGACJSA-N 1 1 404.558 4.285 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000431990241 858907732 /nfs/dbraw/zinc/90/77/32/858907732.db2.gz FBZBTFKXRORZGU-KRWDZBQOSA-N 1 1 418.497 4.097 20 30 HIEDMO CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)C2)cc1 ZINC000433056646 859504381 /nfs/dbraw/zinc/50/43/81/859504381.db2.gz DKYQZSAKBTZHKS-JOCHJYFZSA-N 1 1 422.573 4.004 20 30 HIEDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)C2)cc1 ZINC000433056646 859504390 /nfs/dbraw/zinc/50/43/90/859504390.db2.gz DKYQZSAKBTZHKS-JOCHJYFZSA-N 1 1 422.573 4.004 20 30 HIEDMO CN(Cc1cc(Br)ccc1C[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433301793 859625409 /nfs/dbraw/zinc/62/54/09/859625409.db2.gz WHLLCOOIHOUGSX-UHFFFAOYSA-N 1 1 405.384 4.412 20 30 HIEDMO CN(Cc1cc(Br)ccc1C[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433301793 859625418 /nfs/dbraw/zinc/62/54/18/859625418.db2.gz WHLLCOOIHOUGSX-UHFFFAOYSA-N 1 1 405.384 4.412 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306083 859629371 /nfs/dbraw/zinc/62/93/71/859629371.db2.gz ROZIEWZSKJHNMQ-DOTOQJQBSA-N 1 1 412.331 4.212 20 30 HIEDMO C[N@@H+](CCc1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1)C1CC1 ZINC000433325970 859643546 /nfs/dbraw/zinc/64/35/46/859643546.db2.gz JALNCJXSYVUCEN-UHFFFAOYSA-N 1 1 400.530 4.108 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2csc(-c3ccccc3)n2)c(-c2ccncc2)n1 ZINC000433326585 859643742 /nfs/dbraw/zinc/64/37/42/859643742.db2.gz OJPVMPMQAUKURE-UHFFFAOYSA-N 1 1 400.511 4.272 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322679 860283402 /nfs/dbraw/zinc/28/34/02/860283402.db2.gz WXEQVGPQYGUSBN-HSZRJFAPSA-N 1 1 413.525 4.082 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324312 860284792 /nfs/dbraw/zinc/28/47/92/860284792.db2.gz CKLZEUZGIIZKIQ-SFHVURJKSA-N 1 1 421.451 4.041 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000434985867 860586178 /nfs/dbraw/zinc/58/61/78/860586178.db2.gz KZQOGIJGOUUTPJ-PKTZIBPZSA-N 1 1 419.504 4.350 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000435124296 860651868 /nfs/dbraw/zinc/65/18/68/860651868.db2.gz NXFQAYRQGHYLNS-HXUWFJFHSA-N 1 1 417.488 4.093 20 30 HIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128159 860653770 /nfs/dbraw/zinc/65/37/70/860653770.db2.gz ZNVJOQJMANWJDT-YADHBBJMSA-N 1 1 407.562 4.418 20 30 HIEDMO N#CCCn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136872 860659202 /nfs/dbraw/zinc/65/92/02/860659202.db2.gz IDWBNKNNTNZJRF-HSZRJFAPSA-N 1 1 419.504 4.179 20 30 HIEDMO N#Cc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000435165126 860673081 /nfs/dbraw/zinc/67/30/81/860673081.db2.gz JMRURLWJEBRZPJ-UHFFFAOYSA-N 1 1 419.460 4.138 20 30 HIEDMO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435293236 860723008 /nfs/dbraw/zinc/72/30/08/860723008.db2.gz WNXQBFFAJBLAOV-SFHVURJKSA-N 1 1 421.451 4.041 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000437844861 863202320 /nfs/dbraw/zinc/20/23/20/863202320.db2.gz IXMFBNLXYNAOQG-NRFANRHFSA-N 1 1 420.513 4.069 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437859611 863218860 /nfs/dbraw/zinc/21/88/60/863218860.db2.gz OCIOLGRXKCYYKP-NRFANRHFSA-N 1 1 407.514 4.257 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000437897262 863268890 /nfs/dbraw/zinc/26/88/90/863268890.db2.gz NNIWXKLLIPURKR-RXVVDRJESA-N 1 1 406.530 4.278 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1cccs1 ZINC000437981818 863348770 /nfs/dbraw/zinc/34/87/70/863348770.db2.gz COMCZFIBYJHGGD-KSSFIOAISA-N 1 1 420.485 4.426 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438208116 863640514 /nfs/dbraw/zinc/64/05/14/863640514.db2.gz AUFNFOWOZKLPCM-LPHOPBHVSA-N 1 1 408.502 4.306 20 30 HIEDMO CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438844523 864338443 /nfs/dbraw/zinc/33/84/43/864338443.db2.gz XBJYWXMAFHEZJN-VXNXHJTFSA-N 1 1 420.557 4.010 20 30 HIEDMO CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438844523 864338462 /nfs/dbraw/zinc/33/84/62/864338462.db2.gz XBJYWXMAFHEZJN-VXNXHJTFSA-N 1 1 420.557 4.010 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000438859012 864353463 /nfs/dbraw/zinc/35/34/63/864353463.db2.gz OWGIBXXKKIITRT-REHUZNOOSA-N 1 1 420.557 4.140 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369461 864805714 /nfs/dbraw/zinc/80/57/14/864805714.db2.gz GXSUXSIRZDJWFY-GAJHUEQPSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369461 864805720 /nfs/dbraw/zinc/80/57/20/864805720.db2.gz GXSUXSIRZDJWFY-GAJHUEQPSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392445 864816420 /nfs/dbraw/zinc/81/64/20/864816420.db2.gz AJNLVPCCTMSUNH-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392445 864816421 /nfs/dbraw/zinc/81/64/21/864816421.db2.gz AJNLVPCCTMSUNH-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481509 864847650 /nfs/dbraw/zinc/84/76/50/864847650.db2.gz IPQOEIRZNVRQGK-GAJHUEQPSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481509 864847651 /nfs/dbraw/zinc/84/76/51/864847651.db2.gz IPQOEIRZNVRQGK-GAJHUEQPSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487791 864849390 /nfs/dbraw/zinc/84/93/90/864849390.db2.gz VYOVVFNIHLDJFY-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487791 864849391 /nfs/dbraw/zinc/84/93/91/864849391.db2.gz VYOVVFNIHLDJFY-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO N#Cc1cccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440431529 865733183 /nfs/dbraw/zinc/73/31/83/865733183.db2.gz PROYGGCUGRTQHL-IBGZPJMESA-N 1 1 401.432 4.085 20 30 HIEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000440700517 865869518 /nfs/dbraw/zinc/86/95/18/865869518.db2.gz GFZJETRJFBOBQO-UHFFFAOYSA-N 1 1 407.562 4.280 20 30 HIEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nccs1 ZINC000440709882 865871661 /nfs/dbraw/zinc/87/16/61/865871661.db2.gz FDWSVMCLXATAPK-HSZRJFAPSA-N 1 1 421.570 4.335 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)o2)c1 ZINC000441098300 866194393 /nfs/dbraw/zinc/19/43/93/866194393.db2.gz SWDNIUVYFKMJLJ-CQSZACIVSA-N 1 1 419.432 4.463 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)o2)c1 ZINC000441098300 866194408 /nfs/dbraw/zinc/19/44/08/866194408.db2.gz SWDNIUVYFKMJLJ-CQSZACIVSA-N 1 1 419.432 4.463 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441232474 866308826 /nfs/dbraw/zinc/30/88/26/866308826.db2.gz SSIARSWWBPOOSM-PMACEKPBSA-N 1 1 412.578 4.169 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000441290048 866364001 /nfs/dbraw/zinc/36/40/01/866364001.db2.gz WWCDYCFVBLONCF-VGSWGCGISA-N 1 1 406.505 4.034 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000441331666 866403672 /nfs/dbraw/zinc/40/36/72/866403672.db2.gz OURNGOAABUBCDK-QHCPKHFHSA-N 1 1 405.542 4.089 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)on2)c1 ZINC000468248501 882151730 /nfs/dbraw/zinc/15/17/30/882151730.db2.gz BUHRWBAWIDHLMG-UHFFFAOYSA-N 1 1 422.488 4.324 20 30 HIEDMO Cc1ccc2[nH]cc(CCC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000468254427 882164091 /nfs/dbraw/zinc/16/40/91/882164091.db2.gz ZXLGQVFUJDYRHQ-UHFFFAOYSA-N 1 1 400.526 4.015 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657404 868259121 /nfs/dbraw/zinc/25/91/21/868259121.db2.gz NQINFUWKKOPGFM-MSOLQXFVSA-N 1 1 420.488 4.482 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657406 868259946 /nfs/dbraw/zinc/25/99/46/868259946.db2.gz NQINFUWKKOPGFM-QZTJIDSGSA-N 1 1 420.488 4.482 20 30 HIEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2F)CC1 ZINC000443884568 868419708 /nfs/dbraw/zinc/41/97/08/868419708.db2.gz XVTWGAGCUGGLIU-UHFFFAOYSA-N 1 1 420.410 4.110 20 30 HIEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000443991212 868514851 /nfs/dbraw/zinc/51/48/51/868514851.db2.gz UHLARNJOMXXIHG-DEOSSOPVSA-N 1 1 420.534 4.158 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273490 868710318 /nfs/dbraw/zinc/71/03/18/868710318.db2.gz PWTUMHPRHZAZJT-WMZHIEFXSA-N 1 1 400.526 4.195 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000444339617 868767503 /nfs/dbraw/zinc/76/75/03/868767503.db2.gz JTAJGANFHUXNIP-KRWDZBQOSA-N 1 1 419.554 4.346 20 30 HIEDMO N#CC(CC[NH+]1CCN(c2ncccc2F)CC1)(c1ccccc1)c1ccccc1 ZINC000444682853 868956623 /nfs/dbraw/zinc/95/66/23/868956623.db2.gz VUIWONWTEYVEIF-UHFFFAOYSA-N 1 1 400.501 4.243 20 30 HIEDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444741582 868984799 /nfs/dbraw/zinc/98/47/99/868984799.db2.gz HTDMVXRPRCOCQJ-LLVKDONJSA-N 1 1 410.280 4.309 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447368197 871275479 /nfs/dbraw/zinc/27/54/79/871275479.db2.gz PKTCJBOHLHLMFM-HRAATJIYSA-N 1 1 414.347 4.136 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448035857 871869426 /nfs/dbraw/zinc/86/94/26/871869426.db2.gz SWECRYLGBMBNPG-FOIQADDNSA-N 1 1 408.571 4.339 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448035857 871869427 /nfs/dbraw/zinc/86/94/27/871869427.db2.gz SWECRYLGBMBNPG-FOIQADDNSA-N 1 1 408.571 4.339 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000448314599 872250596 /nfs/dbraw/zinc/25/05/96/872250596.db2.gz PTLRWIFITMJWJW-NRFANRHFSA-N 1 1 405.542 4.235 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460367216 873001602 /nfs/dbraw/zinc/00/16/02/873001602.db2.gz ASWOFQJXTGOCHQ-KRXUUXHPSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460373610 873009885 /nfs/dbraw/zinc/00/98/85/873009885.db2.gz DZWKDHATEFGFGD-AVRDEDQJSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460374740 873011622 /nfs/dbraw/zinc/01/16/22/873011622.db2.gz MLCNRYOOTFRXMM-UHFFFAOYSA-N 1 1 408.594 4.317 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460379384 873018531 /nfs/dbraw/zinc/01/85/31/873018531.db2.gz HNSCHKFOZIDTLK-AZUAARDMSA-N 1 1 406.578 4.235 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460580549 873315255 /nfs/dbraw/zinc/31/52/55/873315255.db2.gz XAVARGCJIJCUFB-CQSZACIVSA-N 1 1 422.396 4.018 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460945765 873844882 /nfs/dbraw/zinc/84/48/82/873844882.db2.gz LYXXQQXVDZODFV-UHFFFAOYSA-N 1 1 418.589 4.312 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940494 875074811 /nfs/dbraw/zinc/07/48/11/875074811.db2.gz KCNWYDGVMJUJJB-VLQPXKRTSA-N 1 1 406.933 4.384 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940494 875074824 /nfs/dbraw/zinc/07/48/24/875074824.db2.gz KCNWYDGVMJUJJB-VLQPXKRTSA-N 1 1 406.933 4.384 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462025022 875141012 /nfs/dbraw/zinc/14/10/12/875141012.db2.gz DHOZNBFQBQQVET-UHFFFAOYSA-N 1 1 418.453 4.195 20 30 HIEDMO N#Cc1cccc(C2(NC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000462739218 875810080 /nfs/dbraw/zinc/81/00/80/875810080.db2.gz NPMILQXKIQMOQA-QFIPXVFZSA-N 1 1 402.542 4.149 20 30 HIEDMO CC1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000462827734 875864574 /nfs/dbraw/zinc/86/45/74/875864574.db2.gz JASIWJSJXDSFMB-UHFFFAOYSA-N 1 1 401.470 4.115 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463209008 876269898 /nfs/dbraw/zinc/26/98/98/876269898.db2.gz HPTRHBCKXVCIOD-KOUHRCEDSA-N 1 1 415.603 4.425 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000463243888 876299606 /nfs/dbraw/zinc/29/96/06/876299606.db2.gz DUVCHYVAFOPBSB-UHFFFAOYSA-N 1 1 418.419 4.239 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464754489 877993867 /nfs/dbraw/zinc/99/38/67/877993867.db2.gz DDBSCRNNFMLPND-UHFFFAOYSA-N 1 1 414.594 4.388 20 30 HIEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788432 878035437 /nfs/dbraw/zinc/03/54/37/878035437.db2.gz JWTDDQGTAKWYGP-QFIPXVFZSA-N 1 1 419.504 4.021 20 30 HIEDMO C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000464831344 878088755 /nfs/dbraw/zinc/08/87/55/878088755.db2.gz AAUREIDREVLBES-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCN1Cc1ccccc1 ZINC000464831344 878088777 /nfs/dbraw/zinc/08/87/77/878088777.db2.gz AAUREIDREVLBES-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCN1Cc1ccccc1 ZINC000464831344 878088798 /nfs/dbraw/zinc/08/87/98/878088798.db2.gz AAUREIDREVLBES-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000464850460 878126417 /nfs/dbraw/zinc/12/64/17/878126417.db2.gz DWWUBQOYDUOPCZ-HNNXBMFYSA-N 1 1 402.564 4.020 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464903276 878217455 /nfs/dbraw/zinc/21/74/55/878217455.db2.gz VNICPPAJPRVPDQ-RDPSFJRHSA-N 1 1 405.542 4.085 20 30 HIEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3cc(C#N)ccc3C)CC2)c1C ZINC000503356322 912330551 /nfs/dbraw/zinc/33/05/51/912330551.db2.gz DRDSQAMVNJRHTE-UHFFFAOYSA-N 1 1 421.545 4.015 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000503366288 912343135 /nfs/dbraw/zinc/34/31/35/912343135.db2.gz LOJTWDSSJGXCOI-OAQYLSRUSA-N 1 1 406.530 4.299 20 30 HIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000465152352 878532226 /nfs/dbraw/zinc/53/22/26/878532226.db2.gz CLMIBCGVLKHWPP-QFIPXVFZSA-N 1 1 420.557 4.431 20 30 HIEDMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)CC2)[nH+]c1 ZINC000465958473 879625950 /nfs/dbraw/zinc/62/59/50/879625950.db2.gz SWUZZQIPUKELGI-UHFFFAOYSA-N 1 1 405.546 4.098 20 30 HIEDMO C=CCCN(C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000466547450 880321186 /nfs/dbraw/zinc/32/11/86/880321186.db2.gz CZPAFHOHAHBEPK-UHFFFAOYSA-N 1 1 409.530 4.302 20 30 HIEDMO C=CCCN(C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000466547450 880321199 /nfs/dbraw/zinc/32/11/99/880321199.db2.gz CZPAFHOHAHBEPK-UHFFFAOYSA-N 1 1 409.530 4.302 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cc(Cl)cn3C)sc2C1 ZINC000466945546 880718898 /nfs/dbraw/zinc/71/88/98/880718898.db2.gz CNRYXAJMBYGRHG-ZDUSSCGKSA-N 1 1 404.967 4.197 20 30 HIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000467188103 880915115 /nfs/dbraw/zinc/91/51/15/880915115.db2.gz WUBHLKUPSGQNSC-UHFFFAOYSA-N 1 1 401.514 4.130 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000503581866 912669255 /nfs/dbraw/zinc/66/92/55/912669255.db2.gz SGSCNCQNDUQITH-INIZCTEOSA-N 1 1 418.522 4.331 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000503581866 912669268 /nfs/dbraw/zinc/66/92/68/912669268.db2.gz SGSCNCQNDUQITH-INIZCTEOSA-N 1 1 418.522 4.331 20 30 HIEDMO CC[C@@H](C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736155 883894024 /nfs/dbraw/zinc/89/40/24/883894024.db2.gz WCQSFJKNKGINMC-KXBFYZLASA-N 1 1 406.313 4.181 20 30 HIEDMO CC[C@@H](C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736155 883894028 /nfs/dbraw/zinc/89/40/28/883894028.db2.gz WCQSFJKNKGINMC-KXBFYZLASA-N 1 1 406.313 4.181 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000469751357 883911464 /nfs/dbraw/zinc/91/14/64/883911464.db2.gz HSPYJGJLIAHVKC-NSHDSACASA-N 1 1 422.710 4.272 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000469757131 883921416 /nfs/dbraw/zinc/92/14/16/883921416.db2.gz PLWOPHXGQFYLQX-LLVKDONJSA-N 1 1 422.348 4.297 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025341 884243907 /nfs/dbraw/zinc/24/39/07/884243907.db2.gz VPEDRKYBXVMEAK-MRXNPFEDSA-N 1 1 404.297 4.347 20 30 HIEDMO C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1 ZINC000470852930 885350890 /nfs/dbraw/zinc/35/08/90/885350890.db2.gz USSXJRHJMZYMPY-QFIPXVFZSA-N 1 1 424.932 4.164 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000471236781 885812866 /nfs/dbraw/zinc/81/28/66/885812866.db2.gz RXBYEZZWSZZYMZ-VGSWGCGISA-N 1 1 413.610 4.082 20 30 HIEDMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471795521 886530960 /nfs/dbraw/zinc/53/09/60/886530960.db2.gz ZXGZCJCEWBLOEJ-XMMPIXPASA-N 1 1 414.553 4.321 20 30 HIEDMO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000472239958 887047194 /nfs/dbraw/zinc/04/71/94/887047194.db2.gz JGGHBRPBRSAPQY-WMZHIEFXSA-N 1 1 413.525 4.198 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](COC)Cc1ccccc1 ZINC000472322871 887155616 /nfs/dbraw/zinc/15/56/16/887155616.db2.gz SDISQNXPITUPQC-GOSISDBHSA-N 1 1 411.571 4.017 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258465 913121860 /nfs/dbraw/zinc/12/18/60/913121860.db2.gz QUIGEGGVADMOFB-MJGOQNOKSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258465 913121865 /nfs/dbraw/zinc/12/18/65/913121865.db2.gz QUIGEGGVADMOFB-MJGOQNOKSA-N 1 1 400.885 4.090 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538241 887413404 /nfs/dbraw/zinc/41/34/04/887413404.db2.gz YSPRFVWBSZGKLO-VWNXMTODSA-N 1 1 420.532 4.251 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000472713027 887562641 /nfs/dbraw/zinc/56/26/41/887562641.db2.gz PHWNIHXLOSUNEA-UHFFFAOYSA-N 1 1 422.529 4.234 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000472775397 887621882 /nfs/dbraw/zinc/62/18/82/887621882.db2.gz VJQUTAASUDNJNS-QFIPXVFZSA-N 1 1 401.554 4.125 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000473009204 887839442 /nfs/dbraw/zinc/83/94/42/887839442.db2.gz GEYMKBSSWIAFIV-AGILITTLSA-N 1 1 404.558 4.378 20 30 HIEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504429483 913241886 /nfs/dbraw/zinc/24/18/86/913241886.db2.gz QYEWZYOITBZZSB-JOCHJYFZSA-N 1 1 420.557 4.391 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473758025 888549671 /nfs/dbraw/zinc/54/96/71/888549671.db2.gz XKOXDFBNYGJQDZ-PKTZIBPZSA-N 1 1 420.557 4.289 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473758025 888549680 /nfs/dbraw/zinc/54/96/80/888549680.db2.gz XKOXDFBNYGJQDZ-PKTZIBPZSA-N 1 1 420.557 4.289 20 30 HIEDMO CCCOc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000473972517 888838724 /nfs/dbraw/zinc/83/87/24/888838724.db2.gz RLCNMIFPWIRGFM-UHFFFAOYSA-N 1 1 420.557 4.073 20 30 HIEDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)cc1 ZINC000504547008 913323362 /nfs/dbraw/zinc/32/33/62/913323362.db2.gz LQZFZYFNFAAYQK-KRWDZBQOSA-N 1 1 409.555 4.325 20 30 HIEDMO N#C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000474395225 889264513 /nfs/dbraw/zinc/26/45/13/889264513.db2.gz TZLKOZWKEYVXTR-XMSQKQJNSA-N 1 1 413.443 4.374 20 30 HIEDMO N#C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000474395225 889264526 /nfs/dbraw/zinc/26/45/26/889264526.db2.gz TZLKOZWKEYVXTR-XMSQKQJNSA-N 1 1 413.443 4.374 20 30 HIEDMO N#C[C@]1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCc2ccccc2C1 ZINC000474651373 889515440 /nfs/dbraw/zinc/51/54/40/889515440.db2.gz MYTLXRCAKRDMGL-NLFFAJNJSA-N 1 1 402.542 4.061 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000475118763 889973338 /nfs/dbraw/zinc/97/33/38/889973338.db2.gz LLNABJPRKBLVJY-UHFFFAOYSA-N 1 1 412.453 4.139 20 30 HIEDMO Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000475312448 890228211 /nfs/dbraw/zinc/22/82/11/890228211.db2.gz BEYUUJYEACIBDV-UHFFFAOYSA-N 1 1 418.541 4.473 20 30 HIEDMO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000475342598 890264039 /nfs/dbraw/zinc/26/40/39/890264039.db2.gz NCGBKULDAQDFEJ-JOCHJYFZSA-N 1 1 405.933 4.123 20 30 HIEDMO N#CCCCOc1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000475352520 890275948 /nfs/dbraw/zinc/27/59/48/890275948.db2.gz UWGLOEARORXIKG-HSZRJFAPSA-N 1 1 408.933 4.405 20 30 HIEDMO C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000476235209 891158613 /nfs/dbraw/zinc/15/86/13/891158613.db2.gz TWPMKCOQVIKAJY-HXUWFJFHSA-N 1 1 412.537 4.020 20 30 HIEDMO C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000476235209 891158620 /nfs/dbraw/zinc/15/86/20/891158620.db2.gz TWPMKCOQVIKAJY-HXUWFJFHSA-N 1 1 412.537 4.020 20 30 HIEDMO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000476235208 891158797 /nfs/dbraw/zinc/15/87/97/891158797.db2.gz TWPMKCOQVIKAJY-FQEVSTJZSA-N 1 1 412.537 4.020 20 30 HIEDMO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000476235208 891158803 /nfs/dbraw/zinc/15/88/03/891158803.db2.gz TWPMKCOQVIKAJY-FQEVSTJZSA-N 1 1 412.537 4.020 20 30 HIEDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000476944273 891884680 /nfs/dbraw/zinc/88/46/80/891884680.db2.gz QAAVYVHRFBTKID-UHFFFAOYSA-N 1 1 407.514 4.138 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477050692 891980253 /nfs/dbraw/zinc/98/02/53/891980253.db2.gz NJYISIQCGRBUFU-DEOSSOPVSA-N 1 1 412.578 4.313 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477050692 891980273 /nfs/dbraw/zinc/98/02/73/891980273.db2.gz NJYISIQCGRBUFU-DEOSSOPVSA-N 1 1 412.578 4.313 20 30 HIEDMO C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2)c1ccc(F)c(F)c1 ZINC000477640224 892765803 /nfs/dbraw/zinc/76/58/03/892765803.db2.gz UBQOXEHWFVAIAP-OAQYLSRUSA-N 1 1 413.468 4.063 20 30 HIEDMO C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2)c1ccc(F)c(F)c1 ZINC000477640224 892765813 /nfs/dbraw/zinc/76/58/13/892765813.db2.gz UBQOXEHWFVAIAP-OAQYLSRUSA-N 1 1 413.468 4.063 20 30 HIEDMO C=C(C)[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000477749002 892842275 /nfs/dbraw/zinc/84/22/75/892842275.db2.gz LIYZVHWJYTVDRD-FQEVSTJZSA-N 1 1 405.514 4.213 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000477759378 892849099 /nfs/dbraw/zinc/84/90/99/892849099.db2.gz BPCJUARGDJTCIK-IBGZPJMESA-N 1 1 406.461 4.396 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477829131 892892751 /nfs/dbraw/zinc/89/27/51/892892751.db2.gz SDHZGUMJZZGBGZ-KRWDZBQOSA-N 1 1 410.493 4.272 20 30 HIEDMO Cc1ccc([C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000504988859 913734540 /nfs/dbraw/zinc/73/45/40/913734540.db2.gz PWCJCWZPANRGGD-DEOSSOPVSA-N 1 1 402.542 4.235 20 30 HIEDMO CC(C)c1nn(C)c2sc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000479223601 894485720 /nfs/dbraw/zinc/48/57/20/894485720.db2.gz WGBZIJBSBXIJDL-UHFFFAOYSA-N 1 1 421.570 4.046 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccc(F)cc2)c1 ZINC000479477153 894800090 /nfs/dbraw/zinc/80/00/90/894800090.db2.gz DLUQIGFKRUEXDW-JOCHJYFZSA-N 1 1 412.461 4.119 20 30 HIEDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032909 896360366 /nfs/dbraw/zinc/36/03/66/896360366.db2.gz JFEOFLPXDNZQPF-CALCHBBNSA-N 1 1 420.395 4.032 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180731 896520226 /nfs/dbraw/zinc/52/02/26/896520226.db2.gz XRLFYCCBHMUMOI-WMZHIEFXSA-N 1 1 424.976 4.087 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481603437 896982789 /nfs/dbraw/zinc/98/27/89/896982789.db2.gz BYTAMFRDVUBCLL-KIMHZCHSSA-N 1 1 418.484 4.455 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481617691 897001405 /nfs/dbraw/zinc/00/14/05/897001405.db2.gz WHFLHRDIIJDOLI-HXPMCKFVSA-N 1 1 405.401 4.116 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 ZINC000481633707 897018163 /nfs/dbraw/zinc/01/81/63/897018163.db2.gz YRPGCWJSLBLNLT-HXUWFJFHSA-N 1 1 422.460 4.294 20 30 HIEDMO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481650139 897036369 /nfs/dbraw/zinc/03/63/69/897036369.db2.gz LVPBWJKYOXUJMS-OALUTQOASA-N 1 1 405.951 4.334 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2F)c1 ZINC000481652575 897037988 /nfs/dbraw/zinc/03/79/88/897037988.db2.gz CXCCYKALIIKEIP-NHCUHLMSSA-N 1 1 408.477 4.025 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2F)c1 ZINC000481652574 897038594 /nfs/dbraw/zinc/03/85/94/897038594.db2.gz CXCCYKALIIKEIP-LEWJYISDSA-N 1 1 408.477 4.025 20 30 HIEDMO C=CC[NH+]1CCC(NCc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC000482782103 898390838 /nfs/dbraw/zinc/39/08/38/898390838.db2.gz ORULIVQMEQXQIM-UHFFFAOYSA-N 1 1 417.395 4.498 20 30 HIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482965627 898596682 /nfs/dbraw/zinc/59/66/82/898596682.db2.gz SUQZPIMQKABGEF-QWRGUYRKSA-N 1 1 407.699 4.047 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000482977665 898614044 /nfs/dbraw/zinc/61/40/44/898614044.db2.gz GJNGRCRXXOJPDX-INIZCTEOSA-N 1 1 415.335 4.058 20 30 HIEDMO OC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000483088547 898774269 /nfs/dbraw/zinc/77/42/69/898774269.db2.gz LUNYBSXJTOYOAA-MRXNPFEDSA-N 1 1 403.322 4.279 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483343341 898975040 /nfs/dbraw/zinc/97/50/40/898975040.db2.gz ZDYSYQADCTVQOH-IFMALSPDSA-N 1 1 404.514 4.085 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424389 899052965 /nfs/dbraw/zinc/05/29/65/899052965.db2.gz DEQAMLRJFQMSJY-KOSHJBKYSA-N 1 1 409.505 4.133 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424389 899052976 /nfs/dbraw/zinc/05/29/76/899052976.db2.gz DEQAMLRJFQMSJY-KOSHJBKYSA-N 1 1 409.505 4.133 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613771 900070843 /nfs/dbraw/zinc/07/08/43/900070843.db2.gz BSQQTZUQULQJJH-NRFANRHFSA-N 1 1 400.563 4.436 20 30 HIEDMO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)nn1-c1cccc(C#N)c1 ZINC000505736395 914414940 /nfs/dbraw/zinc/41/49/40/914414940.db2.gz PIJZMSDBAOOTFH-UHFFFAOYSA-N 1 1 420.542 4.137 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000484931801 900303901 /nfs/dbraw/zinc/30/39/01/900303901.db2.gz FIEFOXTVLKFGKZ-HSZRJFAPSA-N 1 1 415.493 4.392 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311196 900589085 /nfs/dbraw/zinc/58/90/85/900589085.db2.gz AFBDWGFCMMBHFE-KBMIEXCESA-N 1 1 423.557 4.149 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311196 900589092 /nfs/dbraw/zinc/58/90/92/900589092.db2.gz AFBDWGFCMMBHFE-KBMIEXCESA-N 1 1 423.557 4.149 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335662 900621703 /nfs/dbraw/zinc/62/17/03/900621703.db2.gz PEIFGSGUKKZMTB-AVCGJXAMSA-N 1 1 420.557 4.082 20 30 HIEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000485417308 900715821 /nfs/dbraw/zinc/71/58/21/900715821.db2.gz CJDJOWDLQOWMJO-HXUWFJFHSA-N 1 1 406.530 4.137 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841523 914493507 /nfs/dbraw/zinc/49/35/07/914493507.db2.gz WJJGEMBHZPFACD-RBUKOAKNSA-N 1 1 409.555 4.420 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841523 914493518 /nfs/dbraw/zinc/49/35/18/914493518.db2.gz WJJGEMBHZPFACD-RBUKOAKNSA-N 1 1 409.555 4.420 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000485801631 901052107 /nfs/dbraw/zinc/05/21/07/901052107.db2.gz PVVYAAWMZGNOCN-JOCHJYFZSA-N 1 1 421.928 4.302 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000485804993 901055065 /nfs/dbraw/zinc/05/50/65/901055065.db2.gz SCIDTQYHBKVHOJ-UHFFFAOYSA-N 1 1 418.472 4.124 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000486201842 901386649 /nfs/dbraw/zinc/38/66/49/901386649.db2.gz XLEIZJXGQQHDEN-OAQYLSRUSA-N 1 1 419.447 4.155 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910841 914554616 /nfs/dbraw/zinc/55/46/16/914554616.db2.gz DFTHIXHYXZCHSS-FPOVZHCZSA-N 1 1 421.541 4.457 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)NCC[N@@H+]3CCc4sccc4C3)c2)cc1 ZINC000486925411 901968612 /nfs/dbraw/zinc/96/86/12/901968612.db2.gz KOXBYNHAWRUJEH-UHFFFAOYSA-N 1 1 403.507 4.200 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)NCC[N@H+]3CCc4sccc4C3)c2)cc1 ZINC000486925411 901968629 /nfs/dbraw/zinc/96/86/29/901968629.db2.gz KOXBYNHAWRUJEH-UHFFFAOYSA-N 1 1 403.507 4.200 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930676 914581951 /nfs/dbraw/zinc/58/19/51/914581951.db2.gz QQUHLPPHFPYTSV-PZJWPPBQSA-N 1 1 418.541 4.472 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930674 914583104 /nfs/dbraw/zinc/58/31/04/914583104.db2.gz QQUHLPPHFPYTSV-CTNGQTDRSA-N 1 1 418.541 4.472 20 30 HIEDMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487376813 902168432 /nfs/dbraw/zinc/16/84/32/902168432.db2.gz LEWYWNZMSKNEJW-QGZVFWFLSA-N 1 1 421.570 4.478 20 30 HIEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C(C)(C)C#N)C(C)C)cc1 ZINC000487384683 902174328 /nfs/dbraw/zinc/17/43/28/902174328.db2.gz AJWIMYYEEVSYHE-QFIPXVFZSA-N 1 1 423.557 4.096 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000487935034 902463907 /nfs/dbraw/zinc/46/39/07/902463907.db2.gz MANSBFXAKQMWLG-KMDXXIMOSA-N 1 1 418.541 4.317 20 30 HIEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1C ZINC000489063967 903167589 /nfs/dbraw/zinc/16/75/89/903167589.db2.gz DQTUSERIOUBJLN-UHFFFAOYSA-N 1 1 420.513 4.005 20 30 HIEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1C ZINC000489063967 903167597 /nfs/dbraw/zinc/16/75/97/903167597.db2.gz DQTUSERIOUBJLN-UHFFFAOYSA-N 1 1 420.513 4.005 20 30 HIEDMO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506025568 914706522 /nfs/dbraw/zinc/70/65/22/914706522.db2.gz ACXGFXBGPGSJMG-UHFFFAOYSA-N 1 1 405.542 4.240 20 30 HIEDMO Cn1cc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000490570874 904108580 /nfs/dbraw/zinc/10/85/80/904108580.db2.gz RDSDXJQEAIGSDW-DEOSSOPVSA-N 1 1 400.526 4.221 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000506111899 914808953 /nfs/dbraw/zinc/80/89/53/914808953.db2.gz FJUNMALOOGNPIA-UHFFFAOYSA-N 1 1 419.960 4.435 20 30 HIEDMO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000491136438 904447669 /nfs/dbraw/zinc/44/76/69/904447669.db2.gz GVTMCHLVSRIGPO-UHFFFAOYSA-N 1 1 416.525 4.314 20 30 HIEDMO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000491136438 904447677 /nfs/dbraw/zinc/44/76/77/904447677.db2.gz GVTMCHLVSRIGPO-UHFFFAOYSA-N 1 1 416.525 4.314 20 30 HIEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227274 904491160 /nfs/dbraw/zinc/49/11/60/904491160.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227274 904491171 /nfs/dbraw/zinc/49/11/71/904491171.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227274 904491182 /nfs/dbraw/zinc/49/11/82/904491182.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491239921 904497577 /nfs/dbraw/zinc/49/75/77/904497577.db2.gz QZNWSDHJEDHNIT-KRWDZBQOSA-N 1 1 421.495 4.116 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000506149223 914825247 /nfs/dbraw/zinc/82/52/47/914825247.db2.gz WUBIMASXVYJJEY-OAHLLOKOSA-N 1 1 403.383 4.138 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000492076867 904790790 /nfs/dbraw/zinc/79/07/90/904790790.db2.gz BHLCEMWRDMSYED-NZQKXSOJSA-N 1 1 404.514 4.004 20 30 HIEDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC000492772916 904899698 /nfs/dbraw/zinc/89/96/98/904899698.db2.gz OPKWUUYJPIFPBI-CQSZACIVSA-N 1 1 419.319 4.205 20 30 HIEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506248285 914862253 /nfs/dbraw/zinc/86/22/53/914862253.db2.gz WGUBBIHYLZQUIN-UHFFFAOYSA-N 1 1 419.960 4.320 20 30 HIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493742084 905209681 /nfs/dbraw/zinc/20/96/81/905209681.db2.gz YMDXCSUVFCHDJB-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493742084 905209695 /nfs/dbraw/zinc/20/96/95/905209695.db2.gz YMDXCSUVFCHDJB-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493742082 905210456 /nfs/dbraw/zinc/21/04/56/905210456.db2.gz YMDXCSUVFCHDJB-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493742082 905210477 /nfs/dbraw/zinc/21/04/77/905210477.db2.gz YMDXCSUVFCHDJB-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000512417002 921145489 /nfs/dbraw/zinc/14/54/89/921145489.db2.gz WSEDTDCREZPLBN-UHFFFAOYSA-N 1 1 419.569 4.072 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)CCC(F)(F)F ZINC000494638223 905877084 /nfs/dbraw/zinc/87/70/84/905877084.db2.gz UBPHKANVVWSDSJ-CYBMUJFWSA-N 1 1 403.342 4.003 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)CCC(F)(F)F ZINC000494637935 905877396 /nfs/dbraw/zinc/87/73/96/905877396.db2.gz OALBMZNUSHGLJZ-CYBMUJFWSA-N 1 1 421.332 4.142 20 30 HIEDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000494769459 905965513 /nfs/dbraw/zinc/96/55/13/905965513.db2.gz JYDBICMCQPXKGJ-CQSZACIVSA-N 1 1 421.482 4.049 20 30 HIEDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000494769459 905965523 /nfs/dbraw/zinc/96/55/23/905965523.db2.gz JYDBICMCQPXKGJ-CQSZACIVSA-N 1 1 421.482 4.049 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000495131411 906261151 /nfs/dbraw/zinc/26/11/51/906261151.db2.gz YSHFNWGRLAWPSQ-SFHVURJKSA-N 1 1 412.559 4.441 20 30 HIEDMO N#Cc1ccccc1OCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000497584722 907067379 /nfs/dbraw/zinc/06/73/79/907067379.db2.gz ILHVLVNADOCENL-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccccc1OCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000497584722 907067393 /nfs/dbraw/zinc/06/73/93/907067393.db2.gz ILHVLVNADOCENL-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccccc1OCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000497584722 907067409 /nfs/dbraw/zinc/06/74/09/907067409.db2.gz ILHVLVNADOCENL-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000497617690 907097308 /nfs/dbraw/zinc/09/73/08/907097308.db2.gz IKTUMRAEPLDWJX-QGZVFWFLSA-N 1 1 405.523 4.303 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512710876 921294033 /nfs/dbraw/zinc/29/40/33/921294033.db2.gz BAUBCICPQNGDDQ-FPOVZHCZSA-N 1 1 424.589 4.275 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)c(F)c1 ZINC000512805994 921315324 /nfs/dbraw/zinc/31/53/24/921315324.db2.gz OSFUHIPRNGXHNW-UHFFFAOYSA-N 1 1 409.383 4.077 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000497993744 907472098 /nfs/dbraw/zinc/47/20/98/907472098.db2.gz IJGLRAHNYYFDDH-UHFFFAOYSA-N 1 1 411.505 4.095 20 30 HIEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512844727 921348130 /nfs/dbraw/zinc/34/81/30/921348130.db2.gz OVZIHPSBCLUZJM-MSOLQXFVSA-N 1 1 409.505 4.115 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498547710 908010584 /nfs/dbraw/zinc/01/05/84/908010584.db2.gz HLIFYTLNNFTERL-DNQXCXABSA-N 1 1 405.542 4.371 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498677421 908107232 /nfs/dbraw/zinc/10/72/32/908107232.db2.gz VHMUDAGCIGRGOV-FGZHOGPDSA-N 1 1 424.495 4.349 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498677421 908107238 /nfs/dbraw/zinc/10/72/38/908107238.db2.gz VHMUDAGCIGRGOV-FGZHOGPDSA-N 1 1 424.495 4.349 20 30 HIEDMO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000512916952 921410861 /nfs/dbraw/zinc/41/08/61/921410861.db2.gz NBZGSWDCYFCPPN-MRXNPFEDSA-N 1 1 407.823 4.235 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499109043 908468487 /nfs/dbraw/zinc/46/84/87/908468487.db2.gz DBHAZTHBRWZCPE-ZJSXRUAMSA-N 1 1 423.605 4.462 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1C ZINC000499608365 908854923 /nfs/dbraw/zinc/85/49/23/908854923.db2.gz RJCPMFIGTGRQFI-RTBURBONSA-N 1 1 406.530 4.278 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@H]1C ZINC000499608318 908854939 /nfs/dbraw/zinc/85/49/39/908854939.db2.gz RARNYQJQKBFTPS-IAGOWNOFSA-N 1 1 408.502 4.306 20 30 HIEDMO CCC[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000499895435 909018838 /nfs/dbraw/zinc/01/88/38/909018838.db2.gz OOSLURBPDGFRDI-MSOLQXFVSA-N 1 1 404.580 4.045 20 30 HIEDMO CCC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000499895438 909019047 /nfs/dbraw/zinc/01/90/47/909019047.db2.gz OOSLURBPDGFRDI-ZWKOTPCHSA-N 1 1 404.580 4.045 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000500625833 909976253 /nfs/dbraw/zinc/97/62/53/909976253.db2.gz WCPKPBHFRYJDEM-LVCYWYKZSA-N 1 1 421.589 4.177 20 30 HIEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000501043306 910257267 /nfs/dbraw/zinc/25/72/67/910257267.db2.gz BZOOKHRCUHGFLA-MRXNPFEDSA-N 1 1 404.274 4.364 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000501195756 910359145 /nfs/dbraw/zinc/35/91/45/910359145.db2.gz CJWJQFGLZNGCDA-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000501195756 910359163 /nfs/dbraw/zinc/35/91/63/910359163.db2.gz CJWJQFGLZNGCDA-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000501195756 910359176 /nfs/dbraw/zinc/35/91/76/910359176.db2.gz CJWJQFGLZNGCDA-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1OC ZINC000513127164 921572147 /nfs/dbraw/zinc/57/21/47/921572147.db2.gz DPDHPHRSQLLPCO-INIZCTEOSA-N 1 1 406.324 4.056 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1OC ZINC000513127164 921572157 /nfs/dbraw/zinc/57/21/57/921572157.db2.gz DPDHPHRSQLLPCO-INIZCTEOSA-N 1 1 406.324 4.056 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)c(C#N)c1C ZINC000501537295 910646352 /nfs/dbraw/zinc/64/63/52/910646352.db2.gz RRNGUMTYAYXVFU-OAHLLOKOSA-N 1 1 420.332 4.051 20 30 HIEDMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 ZINC000502174700 911096871 /nfs/dbraw/zinc/09/68/71/911096871.db2.gz LZXRKFFCDZTJBF-KRWDZBQOSA-N 1 1 415.497 4.328 20 30 HIEDMO COc1ccc([C@@H](NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504596 911508727 /nfs/dbraw/zinc/50/87/27/911508727.db2.gz AJUDOWXGPCIASN-VWLOTQADSA-N 1 1 403.526 4.169 20 30 HIEDMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504596 911508754 /nfs/dbraw/zinc/50/87/54/911508754.db2.gz AJUDOWXGPCIASN-VWLOTQADSA-N 1 1 403.526 4.169 20 30 HIEDMO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041838 912011422 /nfs/dbraw/zinc/01/14/22/912011422.db2.gz MPLXZMPNOZGRCF-QHCPKHFHSA-N 1 1 407.468 4.377 20 30 HIEDMO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041838 912011436 /nfs/dbraw/zinc/01/14/36/912011436.db2.gz MPLXZMPNOZGRCF-QHCPKHFHSA-N 1 1 407.468 4.377 20 30 HIEDMO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317430 914913013 /nfs/dbraw/zinc/91/30/13/914913013.db2.gz YXEGXZXFUXBCEA-FTJBHMTQSA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+]2CCCC2)o1 ZINC000506388659 915007435 /nfs/dbraw/zinc/00/74/35/915007435.db2.gz ZIFGRLYIWKAUNF-FQEVSTJZSA-N 1 1 419.481 4.199 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(-c2ccccc2)n1 ZINC000506439499 915040613 /nfs/dbraw/zinc/04/06/13/915040613.db2.gz PCYQIVFMQIFALJ-UHFFFAOYSA-N 1 1 419.960 4.435 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H]3C(=O)NCc3ccco3)c2)c1 ZINC000506445120 915046785 /nfs/dbraw/zinc/04/67/85/915046785.db2.gz OBJGYMXYPJTELC-XMMPIXPASA-N 1 1 415.493 4.011 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H]3C(=O)NCc3ccco3)c2)c1 ZINC000506445120 915046803 /nfs/dbraw/zinc/04/68/03/915046803.db2.gz OBJGYMXYPJTELC-XMMPIXPASA-N 1 1 415.493 4.011 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475118 915075074 /nfs/dbraw/zinc/07/50/74/915075074.db2.gz SKIQGNDBFGQHFO-NJDAHSKKSA-N 1 1 414.569 4.047 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560557 915206606 /nfs/dbraw/zinc/20/66/06/915206606.db2.gz HGWPEKZGMBVDAW-UXHICEINSA-N 1 1 416.997 4.173 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c(C#N)c1C ZINC000507178672 915924352 /nfs/dbraw/zinc/92/43/52/915924352.db2.gz IKYTVZQORFZTLP-INIZCTEOSA-N 1 1 406.486 4.315 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1SC ZINC000507704347 916488635 /nfs/dbraw/zinc/48/86/35/916488635.db2.gz DTPLCPHNCZYQQE-ZDUSSCGKSA-N 1 1 415.584 4.298 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1SC ZINC000507704347 916488642 /nfs/dbraw/zinc/48/86/42/916488642.db2.gz DTPLCPHNCZYQQE-ZDUSSCGKSA-N 1 1 415.584 4.298 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000507955392 916814567 /nfs/dbraw/zinc/81/45/67/916814567.db2.gz FKNOJMILDSDZRB-HXUWFJFHSA-N 1 1 408.571 4.183 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000507955392 916814568 /nfs/dbraw/zinc/81/45/68/916814568.db2.gz FKNOJMILDSDZRB-HXUWFJFHSA-N 1 1 408.571 4.183 20 30 HIEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)c1 ZINC000508271681 917088499 /nfs/dbraw/zinc/08/84/99/917088499.db2.gz NIVCMYAVSAUJSS-KRWDZBQOSA-N 1 1 409.534 4.034 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000508484014 917269711 /nfs/dbraw/zinc/26/97/11/917269711.db2.gz KWHYHKDSMJRDIT-UHFFFAOYSA-N 1 1 409.361 4.293 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508498241 917282522 /nfs/dbraw/zinc/28/25/22/917282522.db2.gz QRSBOXBPVMOXLM-XXTHSBEZSA-N 1 1 421.589 4.053 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508498239 917282686 /nfs/dbraw/zinc/28/26/86/917282686.db2.gz QRSBOXBPVMOXLM-KZKAQZJJSA-N 1 1 421.589 4.053 20 30 HIEDMO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508499254 917284303 /nfs/dbraw/zinc/28/43/03/917284303.db2.gz YPOOABAZVDCXKR-UHFFFAOYSA-N 1 1 420.605 4.415 20 30 HIEDMO CCN(c1cc[nH+]c(NCc2cn(CCC#N)nc2-c2ccncc2)n1)C1CCCC1 ZINC000508501036 917285593 /nfs/dbraw/zinc/28/55/93/917285593.db2.gz WUHWWTLDVSXZND-UHFFFAOYSA-N 1 1 416.533 4.030 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508507891 917293457 /nfs/dbraw/zinc/29/34/57/917293457.db2.gz VEAXLMRFWLQGBH-GOSISDBHSA-N 1 1 423.586 4.008 20 30 HIEDMO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719640 917481124 /nfs/dbraw/zinc/48/11/24/917481124.db2.gz LGNJJGDOKKDGQC-HLBVYFGSSA-N 1 1 404.558 4.143 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508844727 917596651 /nfs/dbraw/zinc/59/66/51/917596651.db2.gz KPYDQNDPBBYQGW-PGRDOPGGSA-N 1 1 416.573 4.076 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508863184 917617025 /nfs/dbraw/zinc/61/70/25/917617025.db2.gz IWGUKZVILCALFY-QFIPXVFZSA-N 1 1 402.546 4.017 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508884727 917637912 /nfs/dbraw/zinc/63/79/12/917637912.db2.gz JEFOICTZIIOZTD-IFMALSPDSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508932807 917691881 /nfs/dbraw/zinc/69/18/81/917691881.db2.gz VPVVUKPUSYDFOV-IBGZPJMESA-N 1 1 423.586 4.030 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508936650 917692989 /nfs/dbraw/zinc/69/29/89/917692989.db2.gz SLMLNAOAPRVTTQ-QRWLVFNGSA-N 1 1 415.944 4.377 20 30 HIEDMO C=CCn1c(COCC)nnc1N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000509009370 917763918 /nfs/dbraw/zinc/76/39/18/917763918.db2.gz BBXJMUSHUPTCQF-UHFFFAOYSA-N 1 1 409.578 4.026 20 30 HIEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509069661 917815072 /nfs/dbraw/zinc/81/50/72/917815072.db2.gz LGQNXBHPTFZMOT-VQIMIIECSA-N 1 1 424.408 4.362 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509069661 917815077 /nfs/dbraw/zinc/81/50/77/917815077.db2.gz LGQNXBHPTFZMOT-VQIMIIECSA-N 1 1 424.408 4.362 20 30 HIEDMO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181348 917891619 /nfs/dbraw/zinc/89/16/19/917891619.db2.gz VZNRUVUJJZGEHX-SJLPKXTDSA-N 1 1 415.525 4.307 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3cc(F)ccc3C2)c1C#N ZINC000509416776 918077627 /nfs/dbraw/zinc/07/76/27/918077627.db2.gz CIRBXPNSMTYGDS-UHFFFAOYSA-N 1 1 420.488 4.144 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)[N@@H+](C)C[C@@H]3C)sc2C1 ZINC000509462988 918113207 /nfs/dbraw/zinc/11/32/07/918113207.db2.gz JPBWTWKZAIEUHI-YESZJQIVSA-N 1 1 416.635 4.124 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319246 918828220 /nfs/dbraw/zinc/82/82/20/918828220.db2.gz LRJMLWBKNFELHE-RBUKOAKNSA-N 1 1 403.860 4.178 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510415513 918883851 /nfs/dbraw/zinc/88/38/51/918883851.db2.gz MGKFURXYGITVCH-PKOBYXMFSA-N 1 1 419.554 4.174 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510415513 918883856 /nfs/dbraw/zinc/88/38/56/918883856.db2.gz MGKFURXYGITVCH-PKOBYXMFSA-N 1 1 419.554 4.174 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510422569 918888729 /nfs/dbraw/zinc/88/87/29/918888729.db2.gz AVADSSRXBWCHKV-IFMALSPDSA-N 1 1 415.541 4.235 20 30 HIEDMO COc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1OCCCC#N ZINC000510501151 918948785 /nfs/dbraw/zinc/94/87/85/918948785.db2.gz IITRKMNQVTWFQW-UHFFFAOYSA-N 1 1 416.525 4.248 20 30 HIEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000510599018 919040764 /nfs/dbraw/zinc/04/07/64/919040764.db2.gz OYXQPNZKXLECPI-KDURUIRLSA-N 1 1 409.530 4.182 20 30 HIEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000510599018 919040773 /nfs/dbraw/zinc/04/07/73/919040773.db2.gz OYXQPNZKXLECPI-KDURUIRLSA-N 1 1 409.530 4.182 20 30 HIEDMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)CCO1 ZINC000510694272 919132230 /nfs/dbraw/zinc/13/22/30/919132230.db2.gz WYDVIRKBVBCLNW-SFHVURJKSA-N 1 1 420.513 4.068 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511095177 919699452 /nfs/dbraw/zinc/69/94/52/919699452.db2.gz JFFAVGYUUZUIMX-LJQANCHMSA-N 1 1 401.432 4.073 20 30 HIEDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511111365 919722372 /nfs/dbraw/zinc/72/23/72/919722372.db2.gz XVKGZHDRLWFHNV-UHFFFAOYSA-N 1 1 411.811 4.223 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511111365 919722394 /nfs/dbraw/zinc/72/23/94/919722394.db2.gz XVKGZHDRLWFHNV-UHFFFAOYSA-N 1 1 411.811 4.223 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000511390793 919998680 /nfs/dbraw/zinc/99/86/80/919998680.db2.gz LMTLGIFYBRLIDF-UHFFFAOYSA-N 1 1 420.557 4.076 20 30 HIEDMO CC[N@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)[C@@H](C)C1 ZINC000511608039 920258055 /nfs/dbraw/zinc/25/80/55/920258055.db2.gz ZKIYGDOIHTVLAT-DLBZAZTESA-N 1 1 416.635 4.125 20 30 HIEDMO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1O ZINC000511658658 920325189 /nfs/dbraw/zinc/32/51/89/920325189.db2.gz ZUHKACJZGCBDGG-UHFFFAOYSA-N 1 1 414.933 4.131 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1O ZINC000511658658 920325202 /nfs/dbraw/zinc/32/52/02/920325202.db2.gz ZUHKACJZGCBDGG-UHFFFAOYSA-N 1 1 414.933 4.131 20 30 HIEDMO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000511775051 920462968 /nfs/dbraw/zinc/46/29/68/920462968.db2.gz GALRFWUAVLYTEW-NOTZXAQLSA-N 1 1 405.517 4.287 20 30 HIEDMO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512226562 920977291 /nfs/dbraw/zinc/97/72/91/920977291.db2.gz LAJHLGLVZJIZOQ-QGZVFWFLSA-N 1 1 413.974 4.427 20 30 HIEDMO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512226562 920977305 /nfs/dbraw/zinc/97/73/05/920977305.db2.gz LAJHLGLVZJIZOQ-QGZVFWFLSA-N 1 1 413.974 4.427 20 30 HIEDMO C=CCc1cc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc(OC)c1O ZINC000514237052 922576702 /nfs/dbraw/zinc/57/67/02/922576702.db2.gz CJHGKCUPNADKSN-SFHVURJKSA-N 1 1 406.320 4.105 20 30 HIEDMO O=C(NCC#Cc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000515373440 923070939 /nfs/dbraw/zinc/07/09/39/923070939.db2.gz OMLKYZMPAQDWJI-UHFFFAOYSA-N 1 1 409.533 4.155 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000516238906 923621791 /nfs/dbraw/zinc/62/17/91/923621791.db2.gz ILDRTWFVUNIWMZ-OAQYLSRUSA-N 1 1 416.550 4.456 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000517133499 924018850 /nfs/dbraw/zinc/01/88/50/924018850.db2.gz IWEZVIWRQHSLTN-IAGOWNOFSA-N 1 1 411.933 4.321 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000517668637 926773993 /nfs/dbraw/zinc/77/39/93/926773993.db2.gz UHEPUTKTLPQSKC-UHFFFAOYSA-N 1 1 400.482 4.127 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1 ZINC000518918172 927625694 /nfs/dbraw/zinc/62/56/94/927625694.db2.gz TUIDGCKXXQTQLV-UHFFFAOYSA-N 1 1 412.493 4.012 20 30 HIEDMO C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518927254 927634968 /nfs/dbraw/zinc/63/49/68/927634968.db2.gz AVNXVRBIOZNJOE-IBGZPJMESA-N 1 1 406.530 4.046 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)ccn1 ZINC000519674257 928046397 /nfs/dbraw/zinc/04/63/97/928046397.db2.gz UEOLDWKBRSVSNK-UHFFFAOYSA-N 1 1 413.481 4.095 20 30 HIEDMO Cn1cc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898829 928865559 /nfs/dbraw/zinc/86/55/59/928865559.db2.gz BUFOKHKXDXYKAO-QHCPKHFHSA-N 1 1 413.569 4.351 20 30 HIEDMO Cn1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898829 928865566 /nfs/dbraw/zinc/86/55/66/928865566.db2.gz BUFOKHKXDXYKAO-QHCPKHFHSA-N 1 1 413.569 4.351 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000520899428 928866896 /nfs/dbraw/zinc/86/68/96/928866896.db2.gz ZEKCOFKKTOAELB-IRLDBZIGSA-N 1 1 418.541 4.331 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1)C1CC1 ZINC000520992901 928909609 /nfs/dbraw/zinc/90/96/09/928909609.db2.gz VQBLPPZHGHNRDH-OAQYLSRUSA-N 1 1 420.532 4.080 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)nc1 ZINC000521952490 929587989 /nfs/dbraw/zinc/58/79/89/929587989.db2.gz UEZGIWBGWBKEPD-NRFANRHFSA-N 1 1 416.481 4.296 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000524908336 929883825 /nfs/dbraw/zinc/88/38/25/929883825.db2.gz TXDVQCIWTODNBJ-UHFFFAOYSA-N 1 1 422.573 4.233 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000524908336 929883827 /nfs/dbraw/zinc/88/38/27/929883827.db2.gz TXDVQCIWTODNBJ-UHFFFAOYSA-N 1 1 422.573 4.233 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515689 930733942 /nfs/dbraw/zinc/73/39/42/930733942.db2.gz KFBHIPIITCUYOM-HKUYNNGSSA-N 1 1 418.419 4.066 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530868990 930844351 /nfs/dbraw/zinc/84/43/51/930844351.db2.gz KBYPRKXEXQYKPK-KRWDZBQOSA-N 1 1 424.936 4.120 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530868990 930844358 /nfs/dbraw/zinc/84/43/58/930844358.db2.gz KBYPRKXEXQYKPK-KRWDZBQOSA-N 1 1 424.936 4.120 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000531587403 931110109 /nfs/dbraw/zinc/11/01/09/931110109.db2.gz FCDVMVHJXOJUFR-SFHVURJKSA-N 1 1 411.933 4.393 20 30 HIEDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642822 931136851 /nfs/dbraw/zinc/13/68/51/931136851.db2.gz NJZGGLWMTFOMCJ-ROUUACIJSA-N 1 1 409.530 4.226 20 30 HIEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532155467 931330841 /nfs/dbraw/zinc/33/08/41/931330841.db2.gz JVNZHSYUIOJLJO-IBGZPJMESA-N 1 1 423.557 4.219 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519514 931472453 /nfs/dbraw/zinc/47/24/53/931472453.db2.gz AKUFIXACTNDJBA-LJQANCHMSA-N 1 1 411.889 4.149 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000532900611 931685740 /nfs/dbraw/zinc/68/57/40/931685740.db2.gz DUXWFKVMLDMZSP-KRWDZBQOSA-N 1 1 402.560 4.109 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000532900611 931685746 /nfs/dbraw/zinc/68/57/46/931685746.db2.gz DUXWFKVMLDMZSP-KRWDZBQOSA-N 1 1 402.560 4.109 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000533220088 931812901 /nfs/dbraw/zinc/81/29/01/931812901.db2.gz LERWXHVWPKUIRQ-HNNXBMFYSA-N 1 1 405.420 4.194 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000533220088 931812904 /nfs/dbraw/zinc/81/29/04/931812904.db2.gz LERWXHVWPKUIRQ-HNNXBMFYSA-N 1 1 405.420 4.194 20 30 HIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436171 931868604 /nfs/dbraw/zinc/86/86/04/931868604.db2.gz FKUSQBFTEWRTHR-NSHDSACASA-N 1 1 404.146 4.437 20 30 HIEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000533448045 931872641 /nfs/dbraw/zinc/87/26/41/931872641.db2.gz NOVYYMCKPJFPMY-OAHLLOKOSA-N 1 1 412.921 4.124 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533670789 931960901 /nfs/dbraw/zinc/96/09/01/931960901.db2.gz WMPBRNTZSMGPID-QHCPKHFHSA-N 1 1 406.526 4.394 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533670785 931961072 /nfs/dbraw/zinc/96/10/72/931961072.db2.gz WMPBRNTZSMGPID-HSZRJFAPSA-N 1 1 406.526 4.394 20 30 HIEDMO C=C[C@H](CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000533957673 932132818 /nfs/dbraw/zinc/13/28/18/932132818.db2.gz BBMGRHQTXTTXGF-HXUWFJFHSA-N 1 1 403.526 4.272 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222185 932342148 /nfs/dbraw/zinc/34/21/48/932342148.db2.gz RFLOOKWBLHLXGX-HRAATJIYSA-N 1 1 417.937 4.252 20 30 HIEDMO N#Cc1ccc(SCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000534934071 932845136 /nfs/dbraw/zinc/84/51/36/932845136.db2.gz GIDCQEVYCWJHHN-LJQANCHMSA-N 1 1 417.937 4.396 20 30 HIEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000535656611 933301068 /nfs/dbraw/zinc/30/10/68/933301068.db2.gz VJTVANIZZBVVKK-UHFFFAOYSA-N 1 1 419.504 4.349 20 30 HIEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000535656611 933301079 /nfs/dbraw/zinc/30/10/79/933301079.db2.gz VJTVANIZZBVVKK-UHFFFAOYSA-N 1 1 419.504 4.349 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535675151 933322701 /nfs/dbraw/zinc/32/27/01/933322701.db2.gz GRLKTMGPHINKOD-YJYMSZOUSA-N 1 1 404.848 4.304 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3coc(-c4ccccc4Cl)n3)CC2)cc1 ZINC000537355908 933732772 /nfs/dbraw/zinc/73/27/72/933732772.db2.gz CSEIJHMPCRPYIM-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3coc(-c4ccccc4Cl)n3)CC2)cc1 ZINC000537355908 933732778 /nfs/dbraw/zinc/73/27/78/933732778.db2.gz CSEIJHMPCRPYIM-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000537900748 938404967 /nfs/dbraw/zinc/40/49/67/938404967.db2.gz SAQRBVXSHAHCOM-SFHVURJKSA-N 1 1 405.502 4.035 20 30 HIEDMO CC(C)(C)OCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538010022 938460417 /nfs/dbraw/zinc/46/04/17/938460417.db2.gz OLPDIPASMVKOEI-UHFFFAOYSA-N 1 1 405.542 4.221 20 30 HIEDMO CC(C)(C)OCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538010022 938460424 /nfs/dbraw/zinc/46/04/24/938460424.db2.gz OLPDIPASMVKOEI-UHFFFAOYSA-N 1 1 405.542 4.221 20 30 HIEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538189223 938544395 /nfs/dbraw/zinc/54/43/95/938544395.db2.gz XUPHYSOOGCPRTR-NEPJUHHUSA-N 1 1 405.857 4.046 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000538439737 938621195 /nfs/dbraw/zinc/62/11/95/938621195.db2.gz YZLMYXQGMGHXLP-UHFFFAOYSA-N 1 1 422.529 4.173 20 30 HIEDMO C[C@H]1CN(Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000538591106 938657185 /nfs/dbraw/zinc/65/71/85/938657185.db2.gz XPAFBPPADITUQP-SFTDATJTSA-N 1 1 418.585 4.244 20 30 HIEDMO CN(c1ccccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727724 938693744 /nfs/dbraw/zinc/69/37/44/938693744.db2.gz REXDCPLHXFFPEB-RSXGOPAZSA-N 1 1 402.586 4.489 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000539457636 938863537 /nfs/dbraw/zinc/86/35/37/938863537.db2.gz GNDYVJKMZWZTSP-NHCUHLMSSA-N 1 1 417.985 4.013 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000539457637 938863590 /nfs/dbraw/zinc/86/35/90/938863590.db2.gz GNDYVJKMZWZTSP-RTWAWAEBSA-N 1 1 417.985 4.013 20 30 HIEDMO C=CCOc1ccc(CNc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)cc1Cl ZINC000539669411 938897863 /nfs/dbraw/zinc/89/78/63/938897863.db2.gz IDTUSSLFVYXYMK-UHFFFAOYSA-N 1 1 413.949 4.181 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC000539736525 938917024 /nfs/dbraw/zinc/91/70/24/938917024.db2.gz CGAVPERGZXUCIW-UHFFFAOYSA-N 1 1 408.395 4.166 20 30 HIEDMO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c(C)c1 ZINC000539802714 938937848 /nfs/dbraw/zinc/93/78/48/938937848.db2.gz KGIXLZPWVJGQCI-XMMPIXPASA-N 1 1 415.537 4.265 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540042669 939047041 /nfs/dbraw/zinc/04/70/41/939047041.db2.gz IFECYUUOORQAKH-GOSISDBHSA-N 1 1 408.571 4.369 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000563639346 945228956 /nfs/dbraw/zinc/22/89/56/945228956.db2.gz AGSSANUHWQAJFM-GOSISDBHSA-N 1 1 416.997 4.199 20 30 HIEDMO O=C1CCCN1C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000540320100 939192937 /nfs/dbraw/zinc/19/29/37/939192937.db2.gz YFHUPUNWHJFMGN-FQEVSTJZSA-N 1 1 404.407 4.149 20 30 HIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540367724 939213008 /nfs/dbraw/zinc/21/30/08/939213008.db2.gz HFERRYIMFCRVOK-HNNXBMFYSA-N 1 1 403.885 4.394 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1C#N ZINC000540522468 939286512 /nfs/dbraw/zinc/28/65/12/939286512.db2.gz ROWWXINMAIAUEF-UHFFFAOYSA-N 1 1 422.573 4.303 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159256 939480754 /nfs/dbraw/zinc/48/07/54/939480754.db2.gz WVQNRGZBASBRAB-GKVQRAMASA-N 1 1 402.542 4.412 20 30 HIEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542241628 939770918 /nfs/dbraw/zinc/77/09/18/939770918.db2.gz CIOLWJVZKREBBY-UHFFFAOYSA-N 1 1 418.360 4.005 20 30 HIEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542241628 939770921 /nfs/dbraw/zinc/77/09/21/939770921.db2.gz CIOLWJVZKREBBY-UHFFFAOYSA-N 1 1 418.360 4.005 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ccccc2O)cc1OC ZINC000542483111 939831276 /nfs/dbraw/zinc/83/12/76/939831276.db2.gz XVBHSGSPYPBKSH-UHFFFAOYSA-N 1 1 406.320 4.403 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542964156 939887265 /nfs/dbraw/zinc/88/72/65/939887265.db2.gz GZHUJSGZKDUUIC-INIZCTEOSA-N 1 1 414.941 4.031 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(C(F)(F)F)c1 ZINC000563753334 945285187 /nfs/dbraw/zinc/28/51/87/945285187.db2.gz BHCXRKGQBGKQCJ-UHFFFAOYSA-N 1 1 413.241 4.373 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCc2ccccc2O)c1C#N ZINC000543248859 940008373 /nfs/dbraw/zinc/00/83/73/940008373.db2.gz FYFZZSXHAMYPEP-UHFFFAOYSA-N 1 1 408.546 4.300 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCc2ccccc2O)c1C#N ZINC000543248859 940008377 /nfs/dbraw/zinc/00/83/77/940008377.db2.gz FYFZZSXHAMYPEP-UHFFFAOYSA-N 1 1 408.546 4.300 20 30 HIEDMO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000543268190 940013880 /nfs/dbraw/zinc/01/38/80/940013880.db2.gz JCCUXXSBFOFRHD-SFHVURJKSA-N 1 1 421.545 4.439 20 30 HIEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000543459423 940069661 /nfs/dbraw/zinc/06/96/61/940069661.db2.gz DTEWHHIOAQGQNP-SNVBAGLBSA-N 1 1 402.367 4.386 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000543506205 940088678 /nfs/dbraw/zinc/08/86/78/940088678.db2.gz YDSINNVZUHYDDD-KGLIPLIRSA-N 1 1 404.967 4.431 20 30 HIEDMO C=CCSCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000543745466 940173112 /nfs/dbraw/zinc/17/31/12/940173112.db2.gz LVPZMTOASKKVCT-UHFFFAOYSA-N 1 1 402.391 4.176 20 30 HIEDMO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)cs1 ZINC000543768801 940181048 /nfs/dbraw/zinc/18/10/48/940181048.db2.gz ZZEWIYAPLMMMJX-QGZVFWFLSA-N 1 1 403.555 4.392 20 30 HIEDMO COc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000544084528 940321763 /nfs/dbraw/zinc/32/17/63/940321763.db2.gz FRCOXVYRHWEHSK-DEOSSOPVSA-N 1 1 420.534 4.044 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000544474402 940447489 /nfs/dbraw/zinc/44/74/89/940447489.db2.gz IHBQYUXBKPOJAO-QGZVFWFLSA-N 1 1 401.532 4.096 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544894624 940522610 /nfs/dbraw/zinc/52/26/10/940522610.db2.gz TZEMJCGBSLEGTB-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544894624 940522612 /nfs/dbraw/zinc/52/26/12/940522612.db2.gz TZEMJCGBSLEGTB-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894624 940522614 /nfs/dbraw/zinc/52/26/14/940522614.db2.gz TZEMJCGBSLEGTB-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO Cc1cc(Br)cn2cc(C[NH2+]Cc3cccc(OCCCC#N)c3)nc12 ZINC000546062014 940686362 /nfs/dbraw/zinc/68/63/62/940686362.db2.gz ZANWJIYVHNCCDG-UHFFFAOYSA-N 1 1 413.319 4.378 20 30 HIEDMO COc1ccc([C@@H](CCC#N)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000547014086 940957155 /nfs/dbraw/zinc/95/71/55/940957155.db2.gz TXRDJCVCGXLJNW-GOSISDBHSA-N 1 1 402.292 4.031 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nc2ccccc2n1C(F)F ZINC000548402665 941099964 /nfs/dbraw/zinc/09/99/64/941099964.db2.gz FMIHZBCRRCUXRC-CVEARBPZSA-N 1 1 411.456 4.417 20 30 HIEDMO N#Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC000548420399 941101891 /nfs/dbraw/zinc/10/18/91/941101891.db2.gz XMQZPXIDHDJDJY-KRWDZBQOSA-N 1 1 419.422 4.224 20 30 HIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000548858459 941126846 /nfs/dbraw/zinc/12/68/46/941126846.db2.gz AQTCYDFRQSWKHI-UHFFFAOYSA-N 1 1 407.315 4.450 20 30 HIEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549273190 941175997 /nfs/dbraw/zinc/17/59/97/941175997.db2.gz VLTFWQMGNGWHTI-SIKLNZKXSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549291035 941177368 /nfs/dbraw/zinc/17/73/68/941177368.db2.gz AIWWULOILFATSA-GOSISDBHSA-N 1 1 417.985 4.255 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000549375644 941183768 /nfs/dbraw/zinc/18/37/68/941183768.db2.gz BWAMLZHELVAKPG-UHFFFAOYSA-N 1 1 414.557 4.185 20 30 HIEDMO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cnc1C(F)(F)F ZINC000549402435 941186438 /nfs/dbraw/zinc/18/64/38/941186438.db2.gz OCHJAELQXLUMCT-UHFFFAOYSA-N 1 1 424.426 4.083 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549690650 941204664 /nfs/dbraw/zinc/20/46/64/941204664.db2.gz IFBCUOQHXBKOKA-LEWJYISDSA-N 1 1 408.594 4.315 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393510 941321444 /nfs/dbraw/zinc/32/14/44/941321444.db2.gz NVQALNZIDGEGPR-INIZCTEOSA-N 1 1 415.946 4.244 20 30 HIEDMO C=CCc1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000552305242 941628464 /nfs/dbraw/zinc/62/84/64/941628464.db2.gz CGTARALWIPTMGF-GOSISDBHSA-N 1 1 406.320 4.057 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000552360515 941644038 /nfs/dbraw/zinc/64/40/38/941644038.db2.gz IYQXNGGPXCGBLR-UHFFFAOYSA-N 1 1 414.509 4.340 20 30 HIEDMO CC(C)(C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc(C#N)c1 ZINC000552873536 941795603 /nfs/dbraw/zinc/79/56/03/941795603.db2.gz YYGUZRPMGWGCLV-NRFANRHFSA-N 1 1 405.473 4.215 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(N3CCC(c4[nH+]cc5n4CCCC5)CC3)c2c1 ZINC000553559304 941908916 /nfs/dbraw/zinc/90/89/16/941908916.db2.gz IOZVHBWXFOUSHX-UHFFFAOYSA-N 1 1 417.513 4.040 20 30 HIEDMO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000553988230 942013974 /nfs/dbraw/zinc/01/39/74/942013974.db2.gz ZRKVLOFIWKZOAH-QGZVFWFLSA-N 1 1 405.445 4.139 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000554746296 942219503 /nfs/dbraw/zinc/21/95/03/942219503.db2.gz VDXWZKSRDXTMHK-UHFFFAOYSA-N 1 1 406.313 4.342 20 30 HIEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000555263406 942452759 /nfs/dbraw/zinc/45/27/59/942452759.db2.gz AULOAIBOXYYJGB-JPYJTQIMSA-N 1 1 416.573 4.456 20 30 HIEDMO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000555269787 942456026 /nfs/dbraw/zinc/45/60/26/942456026.db2.gz QOPUMLWPQTYNQI-IBGZPJMESA-N 1 1 419.577 4.079 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc4ccccc4s3)CC2)cc1 ZINC000555813202 942742055 /nfs/dbraw/zinc/74/20/55/942742055.db2.gz YZHASOUOSGILDF-UHFFFAOYSA-N 1 1 404.539 4.190 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)C2=O)cc1 ZINC000556093869 942804746 /nfs/dbraw/zinc/80/47/46/942804746.db2.gz PDNHJXPGVXBXCV-RBUKOAKNSA-N 1 1 405.395 4.476 20 30 HIEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231476 942823224 /nfs/dbraw/zinc/82/32/24/942823224.db2.gz AIOXWYHPUAXQDS-ZCYQVOJMSA-N 1 1 401.554 4.064 20 30 HIEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231476 942823225 /nfs/dbraw/zinc/82/32/25/942823225.db2.gz AIOXWYHPUAXQDS-ZCYQVOJMSA-N 1 1 401.554 4.064 20 30 HIEDMO CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000556338096 942844836 /nfs/dbraw/zinc/84/48/36/942844836.db2.gz UXDYUVRGJVKJQH-GOSISDBHSA-N 1 1 414.912 4.129 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)CC2)c1 ZINC000556896195 942956560 /nfs/dbraw/zinc/95/65/60/942956560.db2.gz VKSQWTVECCSGII-RUZDIDTESA-N 1 1 417.528 4.244 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000556974727 942986109 /nfs/dbraw/zinc/98/61/09/942986109.db2.gz IWGNKSHHAYRISP-GOSISDBHSA-N 1 1 405.502 4.035 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000559022780 943807607 /nfs/dbraw/zinc/80/76/07/943807607.db2.gz RZIQGTJMIWSHRV-PMVMPFDFSA-N 1 1 423.605 4.268 20 30 HIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000559363197 943910487 /nfs/dbraw/zinc/91/04/87/943910487.db2.gz HXFYUJFFGZDQGO-UHFFFAOYSA-N 1 1 417.962 4.491 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687424 944029275 /nfs/dbraw/zinc/02/92/75/944029275.db2.gz YJNAUIDEXDKJGX-SFTDATJTSA-N 1 1 417.538 4.172 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687423 944029444 /nfs/dbraw/zinc/02/94/44/944029444.db2.gz YJNAUIDEXDKJGX-RTWAWAEBSA-N 1 1 417.538 4.172 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000560132640 944171909 /nfs/dbraw/zinc/17/19/09/944171909.db2.gz CKNVOSVYCCOTRZ-FGTMMUONSA-N 1 1 418.887 4.363 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000560132640 944171913 /nfs/dbraw/zinc/17/19/13/944171913.db2.gz CKNVOSVYCCOTRZ-FGTMMUONSA-N 1 1 418.887 4.363 20 30 HIEDMO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccco1 ZINC000560538780 944247951 /nfs/dbraw/zinc/24/79/51/944247951.db2.gz PSCIAFRYPVBQNL-OAHLLOKOSA-N 1 1 410.255 4.120 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000560543986 944248747 /nfs/dbraw/zinc/24/87/47/944248747.db2.gz LVSDXGVNVOURLT-UHFFFAOYSA-N 1 1 410.352 4.415 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000560804988 944337831 /nfs/dbraw/zinc/33/78/31/944337831.db2.gz GSODSJCYQSACKM-UHFFFAOYSA-N 1 1 417.509 4.324 20 30 HIEDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Br)cc3C#N)ccc2NC1=O ZINC000561857394 944823465 /nfs/dbraw/zinc/82/34/65/944823465.db2.gz LKSRDBKEIQNFOO-XIKOKIGWSA-N 1 1 414.303 4.281 20 30 HIEDMO C=CCn1c(-c2ccccc2F)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000564366880 945531352 /nfs/dbraw/zinc/53/13/52/945531352.db2.gz FEQWMGSJWPWUMH-UHFFFAOYSA-N 1 1 406.509 4.187 20 30 HIEDMO N#Cc1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] ZINC000564693606 945734183 /nfs/dbraw/zinc/73/41/83/945734183.db2.gz MSWYHAYRGORQKF-UHFFFAOYSA-N 1 1 403.442 4.198 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000565612733 945854700 /nfs/dbraw/zinc/85/47/00/945854700.db2.gz NNBAZTLBUVDBAI-HNAYVOBHSA-N 1 1 416.447 4.097 20 30 HIEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000569870662 947025453 /nfs/dbraw/zinc/02/54/53/947025453.db2.gz JWAZDXOOVPZWRP-UHFFFAOYSA-N 1 1 405.546 4.463 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569884032 947032842 /nfs/dbraw/zinc/03/28/42/947032842.db2.gz JSUWQXJPSWGHEQ-CQSZACIVSA-N 1 1 406.313 4.341 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569884032 947032857 /nfs/dbraw/zinc/03/28/57/947032857.db2.gz JSUWQXJPSWGHEQ-CQSZACIVSA-N 1 1 406.313 4.341 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570131287 947110238 /nfs/dbraw/zinc/11/02/38/947110238.db2.gz JGYSADGDRZRWGT-AUUYWEPGSA-N 1 1 404.848 4.304 20 30 HIEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000570425941 947238010 /nfs/dbraw/zinc/23/80/10/947238010.db2.gz HIAOHPUPZTUMOT-JPYJTQIMSA-N 1 1 415.493 4.123 20 30 HIEDMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000573453275 948205609 /nfs/dbraw/zinc/20/56/09/948205609.db2.gz RQDODDZHXSRTJF-LJQANCHMSA-N 1 1 413.905 4.131 20 30 HIEDMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000573453274 948206074 /nfs/dbraw/zinc/20/60/74/948206074.db2.gz RQDODDZHXSRTJF-IBGZPJMESA-N 1 1 413.905 4.131 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc(C#N)cc3Br)c2)CCO1 ZINC000573738276 948286480 /nfs/dbraw/zinc/28/64/80/948286480.db2.gz IWLWIMDFGAXKBQ-OAHLLOKOSA-N 1 1 400.320 4.154 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc(C#N)cc3Br)c2)CCO1 ZINC000573738276 948286486 /nfs/dbraw/zinc/28/64/86/948286486.db2.gz IWLWIMDFGAXKBQ-OAHLLOKOSA-N 1 1 400.320 4.154 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(F)(F)F)C1 ZINC000573821947 948302216 /nfs/dbraw/zinc/30/22/16/948302216.db2.gz BTJPEAFWKCETRP-HZPDHXFCSA-N 1 1 420.397 4.082 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000575101544 948595195 /nfs/dbraw/zinc/59/51/95/948595195.db2.gz QOKHAZPNTHDBKA-UHFFFAOYSA-N 1 1 402.420 4.363 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C2CCC(CO)CC2)cc1OCC ZINC000575598863 948681598 /nfs/dbraw/zinc/68/15/98/948681598.db2.gz JDVWROLOSUHXFE-UHFFFAOYSA-N 1 1 412.368 4.396 20 30 HIEDMO N#Cc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629039 719110651 /nfs/dbraw/zinc/11/06/51/719110651.db2.gz QNTMSCBKEVRFLX-MBSDFSHPSA-N 1 1 413.481 4.115 20 30 HIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164725334 720490257 /nfs/dbraw/zinc/49/02/57/720490257.db2.gz JUHUNRYJKBQUOB-PMACEKPBSA-N 1 1 421.907 4.456 20 30 HIEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164792591 721495613 /nfs/dbraw/zinc/49/56/13/721495613.db2.gz RVPUKXZHFHKJGM-UHFFFAOYSA-N 1 1 401.558 4.303 20 30 HIEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952441 722018335 /nfs/dbraw/zinc/01/83/35/722018335.db2.gz KMMBPCUCKRMSQL-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO COc1ccc(SCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000435950160 861214513 /nfs/dbraw/zinc/21/45/13/861214513.db2.gz PRFMETSAZRHHMR-UHFFFAOYSA-N 1 1 423.582 4.174 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000008532296 845535162 /nfs/dbraw/zinc/53/51/62/845535162.db2.gz BUSGNZSUPYWTQR-UHFFFAOYSA-N 1 1 422.479 4.374 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000008532296 845535167 /nfs/dbraw/zinc/53/51/67/845535167.db2.gz BUSGNZSUPYWTQR-UHFFFAOYSA-N 1 1 422.479 4.374 20 30 HIEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000012810354 845890975 /nfs/dbraw/zinc/89/09/75/845890975.db2.gz BKXKPCTYLDXWPG-UHFFFAOYSA-N 1 1 408.546 4.179 20 30 HIEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000012810354 845890980 /nfs/dbraw/zinc/89/09/80/845890980.db2.gz BKXKPCTYLDXWPG-UHFFFAOYSA-N 1 1 408.546 4.179 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446529 847146926 /nfs/dbraw/zinc/14/69/26/847146926.db2.gz YKAPBRUMOLPOKA-UHFFFAOYSA-N 1 1 404.333 4.375 20 30 HIEDMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026455498 847153874 /nfs/dbraw/zinc/15/38/74/847153874.db2.gz IKFZLDCAUQNHAF-UHFFFAOYSA-N 1 1 403.429 4.019 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCOc1ccccc1Cl ZINC000027691555 847339033 /nfs/dbraw/zinc/33/90/33/847339033.db2.gz XKYHNABIMBXTNS-CYBMUJFWSA-N 1 1 403.935 4.100 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCOc1ccccc1Cl ZINC000027691555 847339042 /nfs/dbraw/zinc/33/90/42/847339042.db2.gz XKYHNABIMBXTNS-CYBMUJFWSA-N 1 1 403.935 4.100 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 ZINC000029985902 847664359 /nfs/dbraw/zinc/66/43/59/847664359.db2.gz SPGWOAGYBOXKAR-UHFFFAOYSA-N 1 1 409.533 4.497 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 ZINC000029985902 847664370 /nfs/dbraw/zinc/66/43/70/847664370.db2.gz SPGWOAGYBOXKAR-UHFFFAOYSA-N 1 1 409.533 4.497 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162380 849556166 /nfs/dbraw/zinc/55/61/66/849556166.db2.gz BAFWXXFVYRZXBE-KRWDZBQOSA-N 1 1 416.953 4.298 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162380 849556175 /nfs/dbraw/zinc/55/61/75/849556175.db2.gz BAFWXXFVYRZXBE-KRWDZBQOSA-N 1 1 416.953 4.298 20 30 HIEDMO N#Cc1cccc(OCC[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000052530581 849592575 /nfs/dbraw/zinc/59/25/75/849592575.db2.gz ZKRUMOAHQZCULM-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000052530581 849592584 /nfs/dbraw/zinc/59/25/84/849592584.db2.gz ZKRUMOAHQZCULM-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000052968661 849650478 /nfs/dbraw/zinc/65/04/78/849650478.db2.gz UXPJXDNGCBLYLC-UHFFFAOYSA-N 1 1 404.514 4.121 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340708 849849842 /nfs/dbraw/zinc/84/98/42/849849842.db2.gz NBCGYNUBRGKJRE-LJQANCHMSA-N 1 1 404.514 4.287 20 30 HIEDMO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000054454794 849871615 /nfs/dbraw/zinc/87/16/15/849871615.db2.gz FDZMDHFYFIPIRL-OAQYLSRUSA-N 1 1 404.558 4.018 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000058490899 850837752 /nfs/dbraw/zinc/83/77/52/850837752.db2.gz OYYOZDPIIZGBRL-UHFFFAOYSA-N 1 1 419.978 4.255 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)nc1 ZINC000060481344 851113863 /nfs/dbraw/zinc/11/38/63/851113863.db2.gz DZWAVVYRRAEXPW-UHFFFAOYSA-N 1 1 420.520 4.128 20 30 HIEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000063750433 851754083 /nfs/dbraw/zinc/75/40/83/851754083.db2.gz NIBNOLYRTFDELZ-GOSISDBHSA-N 1 1 409.530 4.053 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750836 851754462 /nfs/dbraw/zinc/75/44/62/851754462.db2.gz KWFAPZHXTSUIAV-UHFFFAOYSA-N 1 1 404.514 4.114 20 30 HIEDMO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000064140616 851834455 /nfs/dbraw/zinc/83/44/55/851834455.db2.gz LRHBHWXHMDCGLP-CQSZACIVSA-N 1 1 414.412 4.291 20 30 HIEDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437161722 862354444 /nfs/dbraw/zinc/35/44/44/862354444.db2.gz YNYXDUQRKMOYEO-UHFFFAOYSA-N 1 1 410.367 4.003 20 30 HIEDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437161722 862354465 /nfs/dbraw/zinc/35/44/65/862354465.db2.gz YNYXDUQRKMOYEO-UHFFFAOYSA-N 1 1 410.367 4.003 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000140371214 853443200 /nfs/dbraw/zinc/44/32/00/853443200.db2.gz RXLCBTDMWCUCFG-UHFFFAOYSA-N 1 1 403.448 4.008 20 30 HIEDMO C[C@@H](c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000140827277 853453786 /nfs/dbraw/zinc/45/37/86/853453786.db2.gz MGJGFIXMPKPODS-SFHVURJKSA-N 1 1 410.591 4.143 20 30 HIEDMO CCCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000216530917 853855398 /nfs/dbraw/zinc/85/53/98/853855398.db2.gz PCFNRXGMUKFDCB-QHCPKHFHSA-N 1 1 410.583 4.176 20 30 HIEDMO CCCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000216530917 853855404 /nfs/dbraw/zinc/85/54/04/853855404.db2.gz PCFNRXGMUKFDCB-QHCPKHFHSA-N 1 1 410.583 4.176 20 30 HIEDMO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000236953020 853941624 /nfs/dbraw/zinc/94/16/24/853941624.db2.gz ZMYXPGDMOUDKQO-UHFFFAOYSA-N 1 1 407.283 4.165 20 30 HIEDMO CCc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236969875 853944541 /nfs/dbraw/zinc/94/45/41/853944541.db2.gz ZONGANPNTFRKFP-XMMPIXPASA-N 1 1 404.535 4.403 20 30 HIEDMO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237469047 854039436 /nfs/dbraw/zinc/03/94/36/854039436.db2.gz MIBOJQDAHLHHPV-VWLOTQADSA-N 1 1 419.546 4.371 20 30 HIEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237635548 854065914 /nfs/dbraw/zinc/06/59/14/854065914.db2.gz QAMHDVCRKDPVCF-OYRHEFFESA-N 1 1 407.558 4.268 20 30 HIEDMO Cc1nnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295766 854350559 /nfs/dbraw/zinc/35/05/59/854350559.db2.gz RNYBTZXPVVRCSU-LPHOPBHVSA-N 1 1 403.452 4.479 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2Br)c(OC)c1 ZINC000301313057 854354813 /nfs/dbraw/zinc/35/48/13/854354813.db2.gz BTIYFZAKGWLCLC-GOSISDBHSA-N 1 1 420.347 4.058 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2Br)c(OC)c1 ZINC000301313057 854354818 /nfs/dbraw/zinc/35/48/18/854354818.db2.gz BTIYFZAKGWLCLC-GOSISDBHSA-N 1 1 420.347 4.058 20 30 HIEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301371213 854373892 /nfs/dbraw/zinc/37/38/92/854373892.db2.gz VHMJFPOFNRHEKJ-UHFFFAOYSA-N 1 1 417.488 4.069 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301659584 854439195 /nfs/dbraw/zinc/43/91/95/854439195.db2.gz CBWXRTUCFMRPAL-OALUTQOASA-N 1 1 400.448 4.463 20 30 HIEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302035767 854519933 /nfs/dbraw/zinc/51/99/33/854519933.db2.gz UPMQBCDSCIPJKS-UHFFFAOYSA-N 1 1 401.470 4.035 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000303059451 854742398 /nfs/dbraw/zinc/74/23/98/854742398.db2.gz XBKZITZXOWQSHK-GOSISDBHSA-N 1 1 406.530 4.030 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000303059451 854742405 /nfs/dbraw/zinc/74/24/05/854742405.db2.gz XBKZITZXOWQSHK-GOSISDBHSA-N 1 1 406.530 4.030 20 30 HIEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508981 854997876 /nfs/dbraw/zinc/99/78/76/854997876.db2.gz BHVFOQWQNCHMDL-MSOLQXFVSA-N 1 1 402.970 4.127 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508981 854997882 /nfs/dbraw/zinc/99/78/82/854997882.db2.gz BHVFOQWQNCHMDL-MSOLQXFVSA-N 1 1 402.970 4.127 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000303584649 855057875 /nfs/dbraw/zinc/05/78/75/855057875.db2.gz QBERVQJLEWUWEW-PGRDOPGGSA-N 1 1 423.582 4.249 20 30 HIEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000303593133 855065829 /nfs/dbraw/zinc/06/58/29/855065829.db2.gz IGNCPHUZUTUQHE-YADARESESA-N 1 1 421.541 4.217 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)c1 ZINC000303821374 855222974 /nfs/dbraw/zinc/22/29/74/855222974.db2.gz FPSBNLGANRCZBN-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)c1 ZINC000303821374 855222982 /nfs/dbraw/zinc/22/29/82/855222982.db2.gz FPSBNLGANRCZBN-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303833738 855232682 /nfs/dbraw/zinc/23/26/82/855232682.db2.gz LYRWAQAZJPZGMX-OALUTQOASA-N 1 1 411.908 4.189 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303833738 855232689 /nfs/dbraw/zinc/23/26/89/855232689.db2.gz LYRWAQAZJPZGMX-OALUTQOASA-N 1 1 411.908 4.189 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000303863069 855257506 /nfs/dbraw/zinc/25/75/06/855257506.db2.gz WUFQODYRZYZNDP-RPBOFIJWSA-N 1 1 416.569 4.187 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000303890997 855272566 /nfs/dbraw/zinc/27/25/66/855272566.db2.gz PMRZSAZAXMDDOQ-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000303890997 855272570 /nfs/dbraw/zinc/27/25/70/855272570.db2.gz PMRZSAZAXMDDOQ-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO C[C@@H](NC1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCOCC1)c1ccccc1 ZINC000304738729 855357788 /nfs/dbraw/zinc/35/77/88/855357788.db2.gz AXKXKQLDGCTKQV-LJQANCHMSA-N 1 1 406.574 4.192 20 30 HIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]2CCCO2)c1 ZINC000437401351 862749474 /nfs/dbraw/zinc/74/94/74/862749474.db2.gz XISDHAXDHDLTII-FQEVSTJZSA-N 1 1 402.441 4.349 20 30 HIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]2CCCO2)c1 ZINC000437401351 862749511 /nfs/dbraw/zinc/74/95/11/862749511.db2.gz XISDHAXDHDLTII-FQEVSTJZSA-N 1 1 402.441 4.349 20 30 HIEDMO C=C[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000426080024 856092957 /nfs/dbraw/zinc/09/29/57/856092957.db2.gz WRNBHUCYZSLYTH-IBGZPJMESA-N 1 1 406.368 4.164 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000427009085 856593171 /nfs/dbraw/zinc/59/31/71/856593171.db2.gz PEWFOCUQQCZXEY-IAGOWNOFSA-N 1 1 417.619 4.458 20 30 HIEDMO CC[N@@H+](CCNC(=O)c1ccccc1Oc1ccccc1C#N)CCC(F)(F)F ZINC000427276012 856748024 /nfs/dbraw/zinc/74/80/24/856748024.db2.gz VKNMGZPIBCGEFQ-UHFFFAOYSA-N 1 1 405.420 4.355 20 30 HIEDMO Cc1nc(SCC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000437475913 862836312 /nfs/dbraw/zinc/83/63/12/862836312.db2.gz MVEUZNPYBDFPTL-QGZVFWFLSA-N 1 1 422.598 4.094 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437510025 862859581 /nfs/dbraw/zinc/85/95/81/862859581.db2.gz YFNLYEDTHKDDGT-TZIWHRDSSA-N 1 1 423.582 4.353 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437510025 862859582 /nfs/dbraw/zinc/85/95/82/862859582.db2.gz YFNLYEDTHKDDGT-TZIWHRDSSA-N 1 1 423.582 4.353 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000437547733 862879321 /nfs/dbraw/zinc/87/93/21/862879321.db2.gz QHEIKSWNXHLXDN-KRWDZBQOSA-N 1 1 403.979 4.063 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000437547733 862879322 /nfs/dbraw/zinc/87/93/22/862879322.db2.gz QHEIKSWNXHLXDN-KRWDZBQOSA-N 1 1 403.979 4.063 20 30 HIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000428395549 857189683 /nfs/dbraw/zinc/18/96/83/857189683.db2.gz ACZKLWCWCVWRNC-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000428405370 857193107 /nfs/dbraw/zinc/19/31/07/857193107.db2.gz WMSIKPDYQUBQQM-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 ZINC000428772605 857329381 /nfs/dbraw/zinc/32/93/81/857329381.db2.gz MTFQYNFMSGNQFS-GOSISDBHSA-N 1 1 414.387 4.280 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)nc1 ZINC000428772605 857329389 /nfs/dbraw/zinc/32/93/89/857329389.db2.gz MTFQYNFMSGNQFS-GOSISDBHSA-N 1 1 414.387 4.280 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773891 857329908 /nfs/dbraw/zinc/32/99/08/857329908.db2.gz UEZVCMLZTVMGNO-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773891 857329918 /nfs/dbraw/zinc/32/99/18/857329918.db2.gz UEZVCMLZTVMGNO-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813374 857357309 /nfs/dbraw/zinc/35/73/09/857357309.db2.gz PLHJSJITKHWXSW-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813374 857357314 /nfs/dbraw/zinc/35/73/14/857357314.db2.gz PLHJSJITKHWXSW-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911331 857409312 /nfs/dbraw/zinc/40/93/12/857409312.db2.gz JIBJYZKFEPXQQR-SIKLNZKXSA-N 1 1 413.525 4.029 20 30 HIEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000429294203 857595179 /nfs/dbraw/zinc/59/51/79/857595179.db2.gz LURNQXAKPFKXDI-UHFFFAOYSA-N 1 1 402.951 4.203 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000430125431 858043107 /nfs/dbraw/zinc/04/31/07/858043107.db2.gz SXKHMAIXCQVTAN-QGZVFWFLSA-N 1 1 410.352 4.271 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000430125431 858043112 /nfs/dbraw/zinc/04/31/12/858043112.db2.gz SXKHMAIXCQVTAN-QGZVFWFLSA-N 1 1 410.352 4.271 20 30 HIEDMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430164056 858060123 /nfs/dbraw/zinc/06/01/23/858060123.db2.gz ISDVEVPSTNBGFZ-KRWDZBQOSA-N 1 1 401.894 4.057 20 30 HIEDMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430164056 858060136 /nfs/dbraw/zinc/06/01/36/858060136.db2.gz ISDVEVPSTNBGFZ-KRWDZBQOSA-N 1 1 401.894 4.057 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430328456 858123311 /nfs/dbraw/zinc/12/33/11/858123311.db2.gz GLEZVJDYALQDOQ-UHFFFAOYSA-N 1 1 411.427 4.472 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430328456 858123315 /nfs/dbraw/zinc/12/33/15/858123315.db2.gz GLEZVJDYALQDOQ-UHFFFAOYSA-N 1 1 411.427 4.472 20 30 HIEDMO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c(C)c1C ZINC000430669623 858260731 /nfs/dbraw/zinc/26/07/31/858260731.db2.gz RNULXMQQRMNQLS-HRAATJIYSA-N 1 1 422.598 4.140 20 30 HIEDMO N#CCCn1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccccc2)n1 ZINC000430882105 858352754 /nfs/dbraw/zinc/35/27/54/858352754.db2.gz HPMUAZBSLNKXPA-UHFFFAOYSA-N 1 1 422.536 4.499 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1C ZINC000430908189 858364619 /nfs/dbraw/zinc/36/46/19/858364619.db2.gz HRPJKWUVZUXXIQ-XMMPIXPASA-N 1 1 419.569 4.274 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1C ZINC000430908189 858364624 /nfs/dbraw/zinc/36/46/24/858364624.db2.gz HRPJKWUVZUXXIQ-XMMPIXPASA-N 1 1 419.569 4.274 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909456 858365923 /nfs/dbraw/zinc/36/59/23/858365923.db2.gz ARTFMYPTBQBDAS-MSOLQXFVSA-N 1 1 406.933 4.386 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909456 858365930 /nfs/dbraw/zinc/36/59/30/858365930.db2.gz ARTFMYPTBQBDAS-MSOLQXFVSA-N 1 1 406.933 4.386 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](OCCCc3ccccc3)C2)sc2c1CCC2 ZINC000430958734 858382100 /nfs/dbraw/zinc/38/21/00/858382100.db2.gz ZGKWHYNKUYRWOK-IBGZPJMESA-N 1 1 423.582 4.161 20 30 HIEDMO COc1cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000433075761 859511713 /nfs/dbraw/zinc/51/17/13/859511713.db2.gz ZLQDVPPCPPXYOP-XMMPIXPASA-N 1 1 416.521 4.181 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433115713 859526660 /nfs/dbraw/zinc/52/66/60/859526660.db2.gz PLTQAMOILKDYQE-IAGOWNOFSA-N 1 1 413.440 4.018 20 30 HIEDMO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)s1 ZINC000433136248 859535426 /nfs/dbraw/zinc/53/54/26/859535426.db2.gz WXDDRLGFYMLDPE-MRXNPFEDSA-N 1 1 400.523 4.105 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c2ccc(C)cc2)cc1 ZINC000433698858 859842580 /nfs/dbraw/zinc/84/25/80/859842580.db2.gz IRXBVZJQHNCKNV-YADHBBJMSA-N 1 1 417.534 4.421 20 30 HIEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434713671 860467405 /nfs/dbraw/zinc/46/74/05/860467405.db2.gz JJCBSPMBZALTBL-OAQYLSRUSA-N 1 1 420.538 4.095 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124047 860651588 /nfs/dbraw/zinc/65/15/88/860651588.db2.gz LFFXHXGJRBHHBU-DEOSSOPVSA-N 1 1 415.541 4.082 20 30 HIEDMO C[N@@H+](Cc1ccc(Br)s1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126236 860653105 /nfs/dbraw/zinc/65/31/05/860653105.db2.gz KQKOINSGIFPBEU-UHFFFAOYSA-N 1 1 416.348 4.315 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000435135217 860657500 /nfs/dbraw/zinc/65/75/00/860657500.db2.gz NFXHOLFXYYSXSQ-IBGZPJMESA-N 1 1 407.905 4.165 20 30 HIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435135855 860658588 /nfs/dbraw/zinc/65/85/88/860658588.db2.gz VRFUSMVKKDWXIS-QFIPXVFZSA-N 1 1 417.513 4.213 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435284968 860719005 /nfs/dbraw/zinc/71/90/05/860719005.db2.gz MLRAKRYLSVFQTI-QFIPXVFZSA-N 1 1 416.525 4.456 20 30 HIEDMO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435290501 860721258 /nfs/dbraw/zinc/72/12/58/860721258.db2.gz QUWOFIOOACMMBQ-HSZRJFAPSA-N 1 1 413.525 4.082 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000435768306 861044425 /nfs/dbraw/zinc/04/44/25/861044425.db2.gz CDJNWMDJDLWLSU-GOSISDBHSA-N 1 1 405.502 4.151 20 30 HIEDMO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435900345 861157363 /nfs/dbraw/zinc/15/73/63/861157363.db2.gz ARQXZXAVXJSXLW-OXQOHEQNSA-N 1 1 409.473 4.129 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000437793938 863112921 /nfs/dbraw/zinc/11/29/21/863112921.db2.gz CGAXKIQUUOHPFO-UHFFFAOYSA-N 1 1 419.485 4.418 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437859613 863218976 /nfs/dbraw/zinc/21/89/76/863218976.db2.gz OCIOLGRXKCYYKP-OAQYLSRUSA-N 1 1 407.514 4.257 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000437897261 863269468 /nfs/dbraw/zinc/26/94/68/863269468.db2.gz NNIWXKLLIPURKR-NQIIRXRSSA-N 1 1 406.530 4.278 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988464 863351800 /nfs/dbraw/zinc/35/18/00/863351800.db2.gz RMQKWTMYIQJBHW-DOTOQJQBSA-N 1 1 406.477 4.278 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)cs1 ZINC000438478818 863896490 /nfs/dbraw/zinc/89/64/90/863896490.db2.gz YAROEUAPFOWHDO-KRWDZBQOSA-N 1 1 403.979 4.063 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)cs1 ZINC000438478818 863896491 /nfs/dbraw/zinc/89/64/91/863896491.db2.gz YAROEUAPFOWHDO-KRWDZBQOSA-N 1 1 403.979 4.063 20 30 HIEDMO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000438578828 864010334 /nfs/dbraw/zinc/01/03/34/864010334.db2.gz HVLBIUMGJYOBGO-FQEVSTJZSA-N 1 1 407.583 4.162 20 30 HIEDMO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000438578828 864010345 /nfs/dbraw/zinc/01/03/45/864010345.db2.gz HVLBIUMGJYOBGO-FQEVSTJZSA-N 1 1 407.583 4.162 20 30 HIEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000438639225 864072922 /nfs/dbraw/zinc/07/29/22/864072922.db2.gz AQSLNXXQRAZQSM-AWEZNQCLSA-N 1 1 402.420 4.145 20 30 HIEDMO N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC000438640838 864076430 /nfs/dbraw/zinc/07/64/30/864076430.db2.gz JOPOBBGLUITSQT-UHFFFAOYSA-N 1 1 420.410 4.456 20 30 HIEDMO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC000438640838 864076450 /nfs/dbraw/zinc/07/64/50/864076450.db2.gz JOPOBBGLUITSQT-UHFFFAOYSA-N 1 1 420.410 4.456 20 30 HIEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(F)(F)F ZINC000438654917 864095541 /nfs/dbraw/zinc/09/55/41/864095541.db2.gz WQGBUCFCBZSATO-KRWDZBQOSA-N 1 1 416.447 4.263 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nnc(-c5cccc(C#N)c5)o4)CC3)c2c1 ZINC000438758211 864252043 /nfs/dbraw/zinc/25/20/43/864252043.db2.gz UPJPGZPTUZYHKP-UHFFFAOYSA-N 1 1 411.465 4.387 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nnc(-c5cccc(C#N)c5)o4)CC3)c2c1 ZINC000438758211 864252052 /nfs/dbraw/zinc/25/20/52/864252052.db2.gz UPJPGZPTUZYHKP-UHFFFAOYSA-N 1 1 411.465 4.387 20 30 HIEDMO CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438844522 864338935 /nfs/dbraw/zinc/33/89/35/864338935.db2.gz XBJYWXMAFHEZJN-RBZQAINGSA-N 1 1 420.557 4.010 20 30 HIEDMO CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438844522 864338949 /nfs/dbraw/zinc/33/89/49/864338949.db2.gz XBJYWXMAFHEZJN-RBZQAINGSA-N 1 1 420.557 4.010 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)sc2c1CCCCC2 ZINC000438994188 864451586 /nfs/dbraw/zinc/45/15/86/864451586.db2.gz BMPBXVDDZDSAFU-DFQSSKMNSA-N 1 1 415.603 4.233 20 30 HIEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000467962353 881822453 /nfs/dbraw/zinc/82/24/53/881822453.db2.gz CPXWYLOLCGJBPF-INIZCTEOSA-N 1 1 402.420 4.221 20 30 HIEDMO CCCc1c(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439683993 865019972 /nfs/dbraw/zinc/01/99/72/865019972.db2.gz VPTXHJUTPNUGFQ-FQEVSTJZSA-N 1 1 422.577 4.186 20 30 HIEDMO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000439852136 865162284 /nfs/dbraw/zinc/16/22/84/865162284.db2.gz BTKWCUMTTZHTOK-LJQANCHMSA-N 1 1 421.875 4.052 20 30 HIEDMO CCCc1c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440072748 865337812 /nfs/dbraw/zinc/33/78/12/865337812.db2.gz OEAOPTTUCIRAQJ-XMMPIXPASA-N 1 1 413.525 4.300 20 30 HIEDMO CCCc1c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440072748 865337831 /nfs/dbraw/zinc/33/78/31/865337831.db2.gz OEAOPTTUCIRAQJ-XMMPIXPASA-N 1 1 413.525 4.300 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551475 865816248 /nfs/dbraw/zinc/81/62/48/865816248.db2.gz CCDFRKYKGNLXNT-XUZZJYLKSA-N 1 1 423.944 4.320 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551475 865816249 /nfs/dbraw/zinc/81/62/49/865816249.db2.gz CCDFRKYKGNLXNT-XUZZJYLKSA-N 1 1 423.944 4.320 20 30 HIEDMO COc1cc(C[NH2+]Cc2cc(Br)ccc2Br)ccc1C#N ZINC000440647562 865855548 /nfs/dbraw/zinc/85/55/48/865855548.db2.gz OEQAMVGBIKORDN-UHFFFAOYSA-N 1 1 410.109 4.382 20 30 HIEDMO Cn1cc[nH+]c1CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440679865 865863714 /nfs/dbraw/zinc/86/37/14/865863714.db2.gz ZEOXOOSZMQBQAQ-UHFFFAOYSA-N 1 1 410.319 4.062 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000468107938 881923974 /nfs/dbraw/zinc/92/39/74/881923974.db2.gz IRWJPCBYDIDUQR-XMMPIXPASA-N 1 1 417.553 4.494 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056531 866135075 /nfs/dbraw/zinc/13/50/75/866135075.db2.gz BXAWWARYTDQRSK-CQSZACIVSA-N 1 1 408.449 4.242 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCCO)Cc2cccc(Cl)c2)c1C ZINC000441058144 866138854 /nfs/dbraw/zinc/13/88/54/866138854.db2.gz FGURGCWZYIPJMM-UHFFFAOYSA-N 1 1 413.949 4.088 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1C ZINC000441058144 866138869 /nfs/dbraw/zinc/13/88/69/866138869.db2.gz FGURGCWZYIPJMM-UHFFFAOYSA-N 1 1 413.949 4.088 20 30 HIEDMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2I)ccc1C#N ZINC000441331188 866401939 /nfs/dbraw/zinc/40/19/39/866401939.db2.gz GYGUIUYVOHLECH-UHFFFAOYSA-N 1 1 412.658 4.115 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nc4c(s3)CCCCCC4)CC2)cc1 ZINC000441915776 866981071 /nfs/dbraw/zinc/98/10/71/866981071.db2.gz FDMAVRMZJQMLQE-UHFFFAOYSA-N 1 1 423.586 4.414 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nc4c(s3)CCCCCC4)CC2)cc1 ZINC000441915776 866981083 /nfs/dbraw/zinc/98/10/83/866981083.db2.gz FDMAVRMZJQMLQE-UHFFFAOYSA-N 1 1 423.586 4.414 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2c[nH]c3ccccc23)cc1 ZINC000442886722 867719722 /nfs/dbraw/zinc/71/97/22/867719722.db2.gz UQVXOYPZPMKSLO-UHFFFAOYSA-N 1 1 404.514 4.335 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccc(Cl)c2)cc1 ZINC000443452563 868039863 /nfs/dbraw/zinc/03/98/63/868039863.db2.gz JMONNFCNUZBEQS-GOTSBHOMSA-N 1 1 411.933 4.226 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)c1 ZINC000443604369 868165207 /nfs/dbraw/zinc/16/52/07/868165207.db2.gz NQICEKVOVWJTOY-UHFFFAOYSA-N 1 1 422.435 4.342 20 30 HIEDMO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1C#N ZINC000444004509 868526212 /nfs/dbraw/zinc/52/62/12/868526212.db2.gz MHRALOSKIFAGDR-HSZRJFAPSA-N 1 1 408.498 4.289 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444239283 868689626 /nfs/dbraw/zinc/68/96/26/868689626.db2.gz KGGHCURBUQGYPD-HSZRJFAPSA-N 1 1 422.573 4.476 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444239283 868689635 /nfs/dbraw/zinc/68/96/35/868689635.db2.gz KGGHCURBUQGYPD-HSZRJFAPSA-N 1 1 422.573 4.476 20 30 HIEDMO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444298739 868728134 /nfs/dbraw/zinc/72/81/34/868728134.db2.gz YSHAQGGDWNGKHE-OAQYLSRUSA-N 1 1 400.526 4.292 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000444654781 868933052 /nfs/dbraw/zinc/93/30/52/868933052.db2.gz ZUWBYKRTVXEMHY-UHFFFAOYSA-N 1 1 402.502 4.398 20 30 HIEDMO CS[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000444684880 868958296 /nfs/dbraw/zinc/95/82/96/868958296.db2.gz LYXJMAZDKDLXAB-ZEQRLZLVSA-N 1 1 405.611 4.398 20 30 HIEDMO CS[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000444684880 868958299 /nfs/dbraw/zinc/95/82/99/868958299.db2.gz LYXJMAZDKDLXAB-ZEQRLZLVSA-N 1 1 405.611 4.398 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000444793393 869010927 /nfs/dbraw/zinc/01/09/27/869010927.db2.gz PJNOKRMENQNBPG-IBGZPJMESA-N 1 1 422.577 4.033 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cc1 ZINC000447878820 871796074 /nfs/dbraw/zinc/79/60/74/871796074.db2.gz KWDHRSMADDPALD-VWLOTQADSA-N 1 1 410.521 4.194 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448196687 872080292 /nfs/dbraw/zinc/08/02/92/872080292.db2.gz AIKDTYVKYLNSRX-GBXCKJPGSA-N 1 1 401.510 4.439 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448451755 872399143 /nfs/dbraw/zinc/39/91/43/872399143.db2.gz ZOEMJCKGUMBNJS-BWKNWUBXSA-N 1 1 415.537 4.226 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460572239 873307013 /nfs/dbraw/zinc/30/70/13/873307013.db2.gz AYDWKISIYFETAX-ICSRJNTNSA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460961156 873857370 /nfs/dbraw/zinc/85/73/70/873857370.db2.gz UYBQRUUCMKHWKS-HJNYFJLDSA-N 1 1 409.578 4.195 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468639519 882773782 /nfs/dbraw/zinc/77/37/82/882773782.db2.gz SLUJKSOEXYDWLH-RSXGOPAZSA-N 1 1 417.553 4.386 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461315702 874323874 /nfs/dbraw/zinc/32/38/74/874323874.db2.gz CZWDJUUGYNJWFB-XLIONFOSSA-N 1 1 420.586 4.236 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461315703 874324192 /nfs/dbraw/zinc/32/41/92/874324192.db2.gz CZWDJUUGYNJWFB-YLJYHZDGSA-N 1 1 420.586 4.236 20 30 HIEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067423 875178568 /nfs/dbraw/zinc/17/85/68/875178568.db2.gz NDHNOYMYGVBFNJ-QRWLVFNGSA-N 1 1 401.432 4.071 20 30 HIEDMO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462246631 875364978 /nfs/dbraw/zinc/36/49/78/875364978.db2.gz LQYRHTGTMWUWCQ-WMZHIEFXSA-N 1 1 413.525 4.252 20 30 HIEDMO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000462750973 875818233 /nfs/dbraw/zinc/81/82/33/875818233.db2.gz SKASYVYOFRKCHW-GOSISDBHSA-N 1 1 423.395 4.377 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1OC ZINC000462750973 875818237 /nfs/dbraw/zinc/81/82/37/875818237.db2.gz SKASYVYOFRKCHW-GOSISDBHSA-N 1 1 423.395 4.377 20 30 HIEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000462825172 875861872 /nfs/dbraw/zinc/86/18/72/875861872.db2.gz IGCNFMZFQIZLJR-UHFFFAOYSA-N 1 1 424.346 4.296 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463209010 876270641 /nfs/dbraw/zinc/27/06/41/876270641.db2.gz HPTRHBCKXVCIOD-VURPSTOHSA-N 1 1 415.603 4.425 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1OCCCO ZINC000463378523 876435303 /nfs/dbraw/zinc/43/53/03/876435303.db2.gz ZFFJBLZNCOPNOC-ZDUSSCGKSA-N 1 1 407.283 4.072 20 30 HIEDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1SCC#N ZINC000463426890 876480945 /nfs/dbraw/zinc/48/09/45/876480945.db2.gz CTVHUDQSXWFGOY-UHFFFAOYSA-N 1 1 418.360 4.178 20 30 HIEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1SCC#N ZINC000463426890 876480947 /nfs/dbraw/zinc/48/09/47/876480947.db2.gz CTVHUDQSXWFGOY-UHFFFAOYSA-N 1 1 418.360 4.178 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@H+]1Cc1ccccc1 ZINC000469018765 883086363 /nfs/dbraw/zinc/08/63/63/883086363.db2.gz OAXGOLKZQCWNAJ-RXVVDRJESA-N 1 1 414.509 4.244 20 30 HIEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000464326137 877514480 /nfs/dbraw/zinc/51/44/80/877514480.db2.gz DFTFYBKLOKBMOB-LJQANCHMSA-N 1 1 407.489 4.484 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763266 878005050 /nfs/dbraw/zinc/00/50/50/878005050.db2.gz ALKLHZTYZIDQKR-VQTJNVASSA-N 1 1 423.582 4.445 20 30 HIEDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]2CCCO2)cc1 ZINC000464779155 878024276 /nfs/dbraw/zinc/02/42/76/878024276.db2.gz QZWCCEUAGLWPLN-QFIPXVFZSA-N 1 1 402.498 4.140 20 30 HIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000503366287 912341792 /nfs/dbraw/zinc/34/17/92/912341792.db2.gz LOJTWDSSJGXCOI-NRFANRHFSA-N 1 1 406.530 4.299 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1)c1cccc(Cl)c1 ZINC000503409222 912390254 /nfs/dbraw/zinc/39/02/54/912390254.db2.gz TUOPWCVRBDZYKB-UHFFFAOYSA-N 1 1 422.960 4.114 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410693 912394031 /nfs/dbraw/zinc/39/40/31/912394031.db2.gz YGMWNXWTZVLOEI-GOSISDBHSA-N 1 1 410.587 4.316 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCCOc2cccc(C#N)c2)cc1 ZINC000465472452 878910693 /nfs/dbraw/zinc/91/06/93/878910693.db2.gz UCOHLCWSZWNJKR-SFHVURJKSA-N 1 1 402.498 4.479 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000503488579 912532015 /nfs/dbraw/zinc/53/20/15/912532015.db2.gz NZECGDIIWKXGDT-LJQANCHMSA-N 1 1 410.493 4.130 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1cccs1 ZINC000466611030 880381632 /nfs/dbraw/zinc/38/16/32/880381632.db2.gz RTPSTYNAZQBBLG-APWZRJJASA-N 1 1 413.547 4.030 20 30 HIEDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000467117374 880874579 /nfs/dbraw/zinc/87/45/79/880874579.db2.gz KUGOFKSGEJCIRD-IBGZPJMESA-N 1 1 400.567 4.169 20 30 HIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000467508155 881321509 /nfs/dbraw/zinc/32/15/09/881321509.db2.gz OIHZUFRMGNNVOI-MRXNPFEDSA-N 1 1 411.571 4.486 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000503582304 912668632 /nfs/dbraw/zinc/66/86/32/912668632.db2.gz YJDUGUAXNDKZNH-MRXNPFEDSA-N 1 1 418.522 4.331 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000503582304 912668654 /nfs/dbraw/zinc/66/86/54/912668654.db2.gz YJDUGUAXNDKZNH-MRXNPFEDSA-N 1 1 418.522 4.331 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000469586832 883825543 /nfs/dbraw/zinc/82/55/43/883825543.db2.gz KVVBERZLQWJCAN-TZIWHRDSSA-N 1 1 400.526 4.338 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000469755067 883918605 /nfs/dbraw/zinc/91/86/05/883918605.db2.gz FSNHNBSGZLIPDL-NWDGAFQWSA-N 1 1 420.307 4.217 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000469771297 883945290 /nfs/dbraw/zinc/94/52/90/883945290.db2.gz ZGIPQUDEZFPYBJ-HSZRJFAPSA-N 1 1 407.464 4.117 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000469771297 883945298 /nfs/dbraw/zinc/94/52/98/883945298.db2.gz ZGIPQUDEZFPYBJ-HSZRJFAPSA-N 1 1 407.464 4.117 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991724 884205475 /nfs/dbraw/zinc/20/54/75/884205475.db2.gz NOPUXGCVDAWPJO-CQSZACIVSA-N 1 1 410.326 4.408 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469990178 884206602 /nfs/dbraw/zinc/20/66/02/884206602.db2.gz HVEUBAOICOZSAY-LBPRGKRZSA-N 1 1 423.460 4.466 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000469990178 884206622 /nfs/dbraw/zinc/20/66/22/884206622.db2.gz HVEUBAOICOZSAY-LBPRGKRZSA-N 1 1 423.460 4.466 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503753194 912815825 /nfs/dbraw/zinc/81/58/25/912815825.db2.gz WOWSHVTZCWIXMB-DEOSSOPVSA-N 1 1 404.558 4.043 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000470532740 884931805 /nfs/dbraw/zinc/93/18/05/884931805.db2.gz QHPOXKYRYNSIHW-NRFANRHFSA-N 1 1 420.557 4.055 20 30 HIEDMO Cc1nc(SCC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000470667095 885093926 /nfs/dbraw/zinc/09/39/26/885093926.db2.gz JPZIPGRYPIKSME-OAQYLSRUSA-N 1 1 422.598 4.094 20 30 HIEDMO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470666712 885094558 /nfs/dbraw/zinc/09/45/58/885094558.db2.gz JTRZEOGZDGZRRF-QHCPKHFHSA-N 1 1 405.542 4.230 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000471022488 885529836 /nfs/dbraw/zinc/52/98/36/885529836.db2.gz ODGJXGNKRISJAE-WMZHIEFXSA-N 1 1 404.514 4.066 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000471022488 885529850 /nfs/dbraw/zinc/52/98/50/885529850.db2.gz ODGJXGNKRISJAE-WMZHIEFXSA-N 1 1 404.514 4.066 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)c1cccc(O)c1 ZINC000471178311 885742473 /nfs/dbraw/zinc/74/24/73/885742473.db2.gz NWOIIMKLBYIMLU-SFHVURJKSA-N 1 1 420.513 4.345 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)c1cccc(O)c1 ZINC000471178311 885742485 /nfs/dbraw/zinc/74/24/85/885742485.db2.gz NWOIIMKLBYIMLU-SFHVURJKSA-N 1 1 420.513 4.345 20 30 HIEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471179193 885745013 /nfs/dbraw/zinc/74/50/13/885745013.db2.gz RQWZSFRLZLZCQS-UHFFFAOYSA-N 1 1 413.543 4.063 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)cc1 ZINC000471633778 886351643 /nfs/dbraw/zinc/35/16/43/886351643.db2.gz HTUHEWGFPCWRFW-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)cc1 ZINC000471633778 886351659 /nfs/dbraw/zinc/35/16/59/886351659.db2.gz HTUHEWGFPCWRFW-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000472320579 887153394 /nfs/dbraw/zinc/15/33/94/887153394.db2.gz WYGCBYZEHBGJML-QAPCUYQASA-N 1 1 420.847 4.380 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000472320579 887153404 /nfs/dbraw/zinc/15/34/04/887153404.db2.gz WYGCBYZEHBGJML-QAPCUYQASA-N 1 1 420.847 4.380 20 30 HIEDMO CC(C)(C#N)CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000472431155 887280437 /nfs/dbraw/zinc/28/04/37/887280437.db2.gz LLWYVYCJKLCCBQ-HSZRJFAPSA-N 1 1 407.533 4.241 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538231 887413500 /nfs/dbraw/zinc/41/35/00/887413500.db2.gz YSPRFVWBSZGKLO-ISKFKSNPSA-N 1 1 420.532 4.251 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000504309890 913158209 /nfs/dbraw/zinc/15/82/09/913158209.db2.gz LOKBQXOJXZQLSR-FCHUYYIVSA-N 1 1 404.514 4.080 20 30 HIEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000472746710 887591946 /nfs/dbraw/zinc/59/19/46/887591946.db2.gz GBMMDKUJHGJRBV-ZEVJAHDQSA-N 1 1 417.597 4.460 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472807358 887652264 /nfs/dbraw/zinc/65/22/64/887652264.db2.gz RHWAIIZDBRRMMQ-OAQYLSRUSA-N 1 1 419.569 4.115 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000504336691 913176922 /nfs/dbraw/zinc/17/69/22/913176922.db2.gz ADUDBWYFSCQPDI-OFNKIYASSA-N 1 1 419.569 4.255 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000473152650 887933014 /nfs/dbraw/zinc/93/30/14/887933014.db2.gz QFNSBBGUXLGDGP-MRXNPFEDSA-N 1 1 421.570 4.288 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161204 888998645 /nfs/dbraw/zinc/99/86/45/888998645.db2.gz XCNRMJSIKOAWSS-FGZHOGPDSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161204 888998658 /nfs/dbraw/zinc/99/86/58/888998658.db2.gz XCNRMJSIKOAWSS-FGZHOGPDSA-N 1 1 409.480 4.208 20 30 HIEDMO C=CCOc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)c1 ZINC000504546392 913323415 /nfs/dbraw/zinc/32/34/15/913323415.db2.gz MZVFOMCZCQHIGH-UHFFFAOYSA-N 1 1 423.376 4.214 20 30 HIEDMO C=CCOc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccc(Br)s2)c1 ZINC000504546392 913323425 /nfs/dbraw/zinc/32/34/25/913323425.db2.gz MZVFOMCZCQHIGH-UHFFFAOYSA-N 1 1 423.376 4.214 20 30 HIEDMO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474608724 889473659 /nfs/dbraw/zinc/47/36/59/889473659.db2.gz XNQYAQXYEIRSJY-XMMPIXPASA-N 1 1 421.516 4.122 20 30 HIEDMO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474608724 889473667 /nfs/dbraw/zinc/47/36/67/889473667.db2.gz XNQYAQXYEIRSJY-XMMPIXPASA-N 1 1 421.516 4.122 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000475254746 890141867 /nfs/dbraw/zinc/14/18/67/890141867.db2.gz QZICYAZMVXXIIA-UHFFFAOYSA-N 1 1 412.453 4.139 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000475579699 890510288 /nfs/dbraw/zinc/51/02/88/890510288.db2.gz CCUBEAYUCPBACO-FCHUYYIVSA-N 1 1 407.558 4.295 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475684626 890625034 /nfs/dbraw/zinc/62/50/34/890625034.db2.gz BWAKURHCTCMHOZ-YADARESESA-N 1 1 423.582 4.089 20 30 HIEDMO C=C(C)[C@H](NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000477046628 891975251 /nfs/dbraw/zinc/97/52/51/891975251.db2.gz WEDNMTPZVFZVSB-CZAAIQMYSA-N 1 1 409.521 4.018 20 30 HIEDMO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477409681 892363217 /nfs/dbraw/zinc/36/32/17/892363217.db2.gz YKDSPIXVRUOEDZ-BVVFMGSASA-N 1 1 420.557 4.068 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434149 892386039 /nfs/dbraw/zinc/38/60/39/892386039.db2.gz CNLKRWKINCPPOW-KRWDZBQOSA-N 1 1 409.511 4.003 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477489109 892488497 /nfs/dbraw/zinc/48/84/97/892488497.db2.gz YPFWSCDACJXLBT-OAQYLSRUSA-N 1 1 405.498 4.116 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477489109 892488507 /nfs/dbraw/zinc/48/85/07/892488507.db2.gz YPFWSCDACJXLBT-OAQYLSRUSA-N 1 1 405.498 4.116 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000477992687 893092629 /nfs/dbraw/zinc/09/26/29/893092629.db2.gz MYXVMGYIXJBCSN-NSISKUIASA-N 1 1 401.576 4.156 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000477992687 893092653 /nfs/dbraw/zinc/09/26/53/893092653.db2.gz MYXVMGYIXJBCSN-NSISKUIASA-N 1 1 401.576 4.156 20 30 HIEDMO Cc1nc(SCC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c(C#N)c(C)c1C ZINC000478052693 893201937 /nfs/dbraw/zinc/20/19/37/893201937.db2.gz IKSRTHRTBZZWTD-UHFFFAOYSA-N 1 1 402.951 4.324 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000478808726 894081426 /nfs/dbraw/zinc/08/14/26/894081426.db2.gz YWVMGFDRZCSLCK-LJQANCHMSA-N 1 1 402.542 4.421 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000478858351 894138272 /nfs/dbraw/zinc/13/82/72/894138272.db2.gz AOVXLAGZKCQOID-IBGZPJMESA-N 1 1 402.542 4.421 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000479053187 894312438 /nfs/dbraw/zinc/31/24/38/894312438.db2.gz WFXINASVHWIZCK-KNQAVFIVSA-N 1 1 401.510 4.439 20 30 HIEDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)CCO1 ZINC000479524464 894834057 /nfs/dbraw/zinc/83/40/57/894834057.db2.gz HTBKLRLPWLBHLV-SFHVURJKSA-N 1 1 421.566 4.035 20 30 HIEDMO CC[N@H+](Cc1ccc(C#N)cc1Br)CC1CCN(c2ccccn2)CC1 ZINC000481045302 896369757 /nfs/dbraw/zinc/36/97/57/896369757.db2.gz YNEXXARMZFIOQR-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000481491397 896871169 /nfs/dbraw/zinc/87/11/69/896871169.db2.gz HXEXVVRTDBCHSA-UHFFFAOYSA-N 1 1 405.542 4.086 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481584277 896964827 /nfs/dbraw/zinc/96/48/27/896964827.db2.gz DZPJBIBSYVBCPT-QRQCRPRQSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481593649 896971921 /nfs/dbraw/zinc/97/19/21/896971921.db2.gz PRVXRWUTFLDBBT-GOTSBHOMSA-N 1 1 400.469 4.448 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(F)c(F)c1 ZINC000481599155 896977828 /nfs/dbraw/zinc/97/78/28/896977828.db2.gz OZPWSXHLAQSLQY-QKKBWIMNSA-N 1 1 402.441 4.360 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)c(F)c1 ZINC000481615996 896997845 /nfs/dbraw/zinc/99/78/45/896997845.db2.gz OKQVLPXBZXDRRQ-HXUWFJFHSA-N 1 1 417.847 4.044 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000481617291 896999428 /nfs/dbraw/zinc/99/94/28/896999428.db2.gz QMKDGZDFNCPKNO-NRFANRHFSA-N 1 1 401.482 4.140 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2F)c1 ZINC000481652577 897038397 /nfs/dbraw/zinc/03/83/97/897038397.db2.gz CXCCYKALIIKEIP-SFTDATJTSA-N 1 1 408.477 4.025 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(Cl)c1 ZINC000482889091 898506578 /nfs/dbraw/zinc/50/65/78/898506578.db2.gz TUHVFRWGHYGRIO-UHFFFAOYSA-N 1 1 405.885 4.030 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(Cl)c1 ZINC000482889091 898506587 /nfs/dbraw/zinc/50/65/87/898506587.db2.gz TUHVFRWGHYGRIO-UHFFFAOYSA-N 1 1 405.885 4.030 20 30 HIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCCN(c2ccccc2)C1 ZINC000483073557 898754787 /nfs/dbraw/zinc/75/47/87/898754787.db2.gz IMLRXKGXSWYNFK-NRFANRHFSA-N 1 1 400.526 4.338 20 30 HIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCCN(c2ccccc2)C1 ZINC000483073557 898754803 /nfs/dbraw/zinc/75/48/03/898754803.db2.gz IMLRXKGXSWYNFK-NRFANRHFSA-N 1 1 400.526 4.338 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000483101147 898791912 /nfs/dbraw/zinc/79/19/12/898791912.db2.gz CDIOHUMUUGQFLY-LJQANCHMSA-N 1 1 420.488 4.185 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1C#N ZINC000483101147 898791923 /nfs/dbraw/zinc/79/19/23/898791923.db2.gz CDIOHUMUUGQFLY-LJQANCHMSA-N 1 1 420.488 4.185 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](CC2CC2)C2CCC2)c1C#N ZINC000483315328 898943444 /nfs/dbraw/zinc/94/34/44/898943444.db2.gz OAQTYYJXMWUUBA-UHFFFAOYSA-N 1 1 408.521 4.367 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483593900 899244456 /nfs/dbraw/zinc/24/44/56/899244456.db2.gz DAKPQOFJEPPZJF-UPVQGACJSA-N 1 1 417.553 4.229 20 30 HIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645528 899301858 /nfs/dbraw/zinc/30/18/58/899301858.db2.gz GLRBBUWXFDANFZ-SFHVURJKSA-N 1 1 415.541 4.486 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337786 900626334 /nfs/dbraw/zinc/62/63/34/900626334.db2.gz PHHAGWIDNIPDOR-IFMALSPDSA-N 1 1 422.598 4.162 20 30 HIEDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632453 /nfs/dbraw/zinc/63/24/53/900632453.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 1 1 405.542 4.062 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000485375325 900672347 /nfs/dbraw/zinc/67/23/47/900672347.db2.gz GZVVHIWQTAPYIJ-HSZRJFAPSA-N 1 1 421.570 4.087 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000485375325 900672352 /nfs/dbraw/zinc/67/23/52/900672352.db2.gz GZVVHIWQTAPYIJ-HSZRJFAPSA-N 1 1 421.570 4.087 20 30 HIEDMO C=CCSc1ccccc1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485467041 900761795 /nfs/dbraw/zinc/76/17/95/900761795.db2.gz PKRVMXXYUWSTGW-KDURUIRLSA-N 1 1 402.604 4.316 20 30 HIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000485771177 901027256 /nfs/dbraw/zinc/02/72/56/901027256.db2.gz PWCPNZIQFJUCQC-PWIZWCRZSA-N 1 1 403.592 4.402 20 30 HIEDMO CC(C)[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000486262063 901445480 /nfs/dbraw/zinc/44/54/80/901445480.db2.gz WGWXTYMZWVUMFP-HSZRJFAPSA-N 1 1 406.530 4.136 20 30 HIEDMO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000486277184 901460738 /nfs/dbraw/zinc/46/07/38/901460738.db2.gz ULHHISAHHFLPND-UHFFFAOYSA-N 1 1 418.472 4.437 20 30 HIEDMO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000486458220 901618559 /nfs/dbraw/zinc/61/85/59/901618559.db2.gz IFGRIDXRIPKUSA-GOSISDBHSA-N 1 1 409.440 4.497 20 30 HIEDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)n2)c1 ZINC000486807060 901865658 /nfs/dbraw/zinc/86/56/58/901865658.db2.gz CQKLQKPBNSYBSX-SFHVURJKSA-N 1 1 424.508 4.477 20 30 HIEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000486865221 901911232 /nfs/dbraw/zinc/91/12/32/901911232.db2.gz FBJNGGWIPPXZNP-GOSISDBHSA-N 1 1 407.823 4.121 20 30 HIEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000486865222 901911433 /nfs/dbraw/zinc/91/14/33/901911433.db2.gz FBJNGGWIPPXZNP-SFHVURJKSA-N 1 1 407.823 4.121 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929414 914580349 /nfs/dbraw/zinc/58/03/49/914580349.db2.gz CTUDEIYBVYPEQF-WOJBJXKFSA-N 1 1 421.541 4.457 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000487204712 902100587 /nfs/dbraw/zinc/10/05/87/902100587.db2.gz DPHXLZGIXFAJSP-JXALWOEJSA-N 1 1 405.542 4.461 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000487204712 902100595 /nfs/dbraw/zinc/10/05/95/902100595.db2.gz DPHXLZGIXFAJSP-JXALWOEJSA-N 1 1 405.542 4.461 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000487204725 902100793 /nfs/dbraw/zinc/10/07/93/902100793.db2.gz DPHXLZGIXFAJSP-YOSAUDMPSA-N 1 1 405.542 4.461 20 30 HIEDMO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487285905 902137410 /nfs/dbraw/zinc/13/74/10/902137410.db2.gz KHKBORQWQZEZJV-OFNKIYASSA-N 1 1 405.542 4.134 20 30 HIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401081 902183962 /nfs/dbraw/zinc/18/39/62/902183962.db2.gz VEFKCKYAJQBZQL-SFHVURJKSA-N 1 1 406.448 4.378 20 30 HIEDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C3)cc1 ZINC000487989820 902512219 /nfs/dbraw/zinc/51/22/19/902512219.db2.gz QCXPBPCWKDKYKH-UHFFFAOYSA-N 1 1 419.916 4.093 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cc(F)cc(C#N)c1 ZINC000505977588 914641265 /nfs/dbraw/zinc/64/12/65/914641265.db2.gz URJVXSICSIOIAL-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cc(F)cc(C#N)c1 ZINC000505977588 914641275 /nfs/dbraw/zinc/64/12/75/914641275.db2.gz URJVXSICSIOIAL-UHFFFAOYSA-N 1 1 413.924 4.363 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488624713 902905241 /nfs/dbraw/zinc/90/52/41/902905241.db2.gz IOSJMBZXVVRVJY-MNPDLOSFSA-N 1 1 416.569 4.378 20 30 HIEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000488807416 903011519 /nfs/dbraw/zinc/01/15/19/903011519.db2.gz QUCLHJCSLJWPKG-HSZRJFAPSA-N 1 1 401.514 4.320 20 30 HIEDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)cc(OC)c1 ZINC000490041485 903737584 /nfs/dbraw/zinc/73/75/84/903737584.db2.gz MUVPFWZIQGPMHI-QGZVFWFLSA-N 1 1 417.456 4.253 20 30 HIEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)cc(OC)c1 ZINC000490041485 903737598 /nfs/dbraw/zinc/73/75/98/903737598.db2.gz MUVPFWZIQGPMHI-QGZVFWFLSA-N 1 1 417.456 4.253 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCC2 ZINC000490789164 904235807 /nfs/dbraw/zinc/23/58/07/904235807.db2.gz AASVGCVYSPITNE-UHFFFAOYSA-N 1 1 410.499 4.010 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 ZINC000506100735 914803349 /nfs/dbraw/zinc/80/33/49/914803349.db2.gz HEBZPUWJESYQME-UHFFFAOYSA-N 1 1 419.960 4.435 20 30 HIEDMO Cn1cc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491089898 904423550 /nfs/dbraw/zinc/42/35/50/904423550.db2.gz IWAWUQWUNKVTDQ-UHFFFAOYSA-N 1 1 423.923 4.069 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000491604775 904671085 /nfs/dbraw/zinc/67/10/85/904671085.db2.gz PGTWXOIKVSMFNP-QGZVFWFLSA-N 1 1 422.330 4.485 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491892758 904722930 /nfs/dbraw/zinc/72/29/30/904722930.db2.gz SCFFFXUVRDOAQD-NRFANRHFSA-N 1 1 400.482 4.067 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000492440567 904849892 /nfs/dbraw/zinc/84/98/92/904849892.db2.gz CJYMNZAMBRBMKV-UHFFFAOYSA-N 1 1 423.582 4.176 20 30 HIEDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492696266 904889912 /nfs/dbraw/zinc/88/99/12/904889912.db2.gz NFUSFYIKWMELIA-UHFFFAOYSA-N 1 1 413.315 4.028 20 30 HIEDMO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000492947226 904959550 /nfs/dbraw/zinc/95/95/50/904959550.db2.gz AKYWVXKWHVJCSO-NRFANRHFSA-N 1 1 418.566 4.270 20 30 HIEDMO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000492947229 904959988 /nfs/dbraw/zinc/95/99/88/904959988.db2.gz AKYWVXKWHVJCSO-OAQYLSRUSA-N 1 1 418.566 4.270 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1 ZINC000506262061 914870517 /nfs/dbraw/zinc/87/05/17/914870517.db2.gz MHIQMGBYDKXIOM-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1 ZINC000506262061 914870518 /nfs/dbraw/zinc/87/05/18/914870518.db2.gz MHIQMGBYDKXIOM-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1 ZINC000506262061 914870520 /nfs/dbraw/zinc/87/05/20/914870520.db2.gz MHIQMGBYDKXIOM-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(n3ccnc3)CC2)cc1OCC ZINC000512394400 921130150 /nfs/dbraw/zinc/13/01/50/921130150.db2.gz DGPHYKBOGBFJSO-UHFFFAOYSA-N 1 1 420.351 4.446 20 30 HIEDMO CN1C(=O)C[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1c1ccc(Cl)cc1 ZINC000494265376 905589819 /nfs/dbraw/zinc/58/98/19/905589819.db2.gz OUKMWBJKJMFDGQ-HKUYNNGSSA-N 1 1 418.722 4.036 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Br)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000494268895 905593278 /nfs/dbraw/zinc/59/32/78/905593278.db2.gz SLYPMKBFJTZABA-UHFFFAOYSA-N 1 1 413.294 4.492 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000496568612 906710838 /nfs/dbraw/zinc/71/08/38/906710838.db2.gz GDVVEURMAYAGDQ-FQEVSTJZSA-N 1 1 403.615 4.452 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496805419 906758904 /nfs/dbraw/zinc/75/89/04/906758904.db2.gz LFHFWBJWULXYQP-INIZCTEOSA-N 1 1 409.555 4.226 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590876 907072289 /nfs/dbraw/zinc/07/22/89/907072289.db2.gz PMXGSRLBHZAYRZ-INIZCTEOSA-N 1 1 419.447 4.199 20 30 HIEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512844731 921346978 /nfs/dbraw/zinc/34/69/78/921346978.db2.gz OVZIHPSBCLUZJM-ROUUACIJSA-N 1 1 409.505 4.115 20 30 HIEDMO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512853278 921359016 /nfs/dbraw/zinc/35/90/16/921359016.db2.gz VSUWKJZGHSSWSX-FPOVZHCZSA-N 1 1 402.542 4.256 20 30 HIEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498701922 908127196 /nfs/dbraw/zinc/12/71/96/908127196.db2.gz HUEKCVPXPXHJDZ-CVDCTZTESA-N 1 1 402.542 4.143 20 30 HIEDMO N#Cc1ccccc1OCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498915218 908322698 /nfs/dbraw/zinc/32/26/98/908322698.db2.gz LIDAAOVCOGZFIF-UHFFFAOYSA-N 1 1 404.341 4.104 20 30 HIEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000512936255 921425563 /nfs/dbraw/zinc/42/55/63/921425563.db2.gz TVAILNZAWGUDKQ-INIZCTEOSA-N 1 1 400.498 4.051 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000512936255 921425567 /nfs/dbraw/zinc/42/55/67/921425567.db2.gz TVAILNZAWGUDKQ-INIZCTEOSA-N 1 1 400.498 4.051 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1)C1CC1 ZINC000499409519 908773451 /nfs/dbraw/zinc/77/34/51/908773451.db2.gz VYJGHHJOZKHULN-HXUWFJFHSA-N 1 1 412.331 4.428 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618052 908856750 /nfs/dbraw/zinc/85/67/50/908856750.db2.gz INNKLGLGUZWOMR-PMACEKPBSA-N 1 1 404.432 4.180 20 30 HIEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000500163661 909646466 /nfs/dbraw/zinc/64/64/66/909646466.db2.gz SWYJKORAKPYWEM-UHFFFAOYSA-N 1 1 419.569 4.436 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500239381 909728620 /nfs/dbraw/zinc/72/86/20/909728620.db2.gz XIPSYMHOKBEJKL-UHFFFAOYSA-N 1 1 423.582 4.140 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000500646107 909990806 /nfs/dbraw/zinc/99/08/06/909990806.db2.gz QADBOAWZFBJNIJ-BGYRXZFFSA-N 1 1 404.558 4.378 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513103141 921551474 /nfs/dbraw/zinc/55/14/74/921551474.db2.gz RFVOHJINZWIFSG-UHFFFAOYSA-N 1 1 420.492 4.045 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501528101 910639005 /nfs/dbraw/zinc/63/90/05/910639005.db2.gz BNYLJNCOEVSASA-HNNXBMFYSA-N 1 1 420.694 4.026 20 30 HIEDMO CCCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000501550367 910655961 /nfs/dbraw/zinc/65/59/61/910655961.db2.gz KJAVFBSBAFJFAW-UHFFFAOYSA-N 1 1 407.562 4.036 20 30 HIEDMO C=CCn1c(SCCCCn2cc[nH+]c2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000502141277 911065083 /nfs/dbraw/zinc/06/50/83/911065083.db2.gz YVQKHJLVBHRDRS-IBGZPJMESA-N 1 1 411.531 4.054 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000502152943 911074829 /nfs/dbraw/zinc/07/48/29/911074829.db2.gz CWUFMUJTDNZVDL-NZQKXSOJSA-N 1 1 409.578 4.072 20 30 HIEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)o2)cc1 ZINC000513216470 921631280 /nfs/dbraw/zinc/63/12/80/921631280.db2.gz CQVQTIIWFZCGAM-NRFANRHFSA-N 1 1 415.493 4.125 20 30 HIEDMO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(F)cncc1F ZINC000513251609 921658948 /nfs/dbraw/zinc/65/89/48/921658948.db2.gz CACMNDHORLXIDQ-GFCCVEGCSA-N 1 1 404.486 4.241 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503063633 912028265 /nfs/dbraw/zinc/02/82/65/912028265.db2.gz OGPRPLWKXIMNSN-HTAPYJJXSA-N 1 1 422.577 4.200 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503063633 912028276 /nfs/dbraw/zinc/02/82/76/912028276.db2.gz OGPRPLWKXIMNSN-HTAPYJJXSA-N 1 1 422.577 4.200 20 30 HIEDMO CCOc1cccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000506296427 914891856 /nfs/dbraw/zinc/89/18/56/914891856.db2.gz ZPUQCGKMBFKZCI-UHFFFAOYSA-N 1 1 415.484 4.266 20 30 HIEDMO Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340102 914956640 /nfs/dbraw/zinc/95/66/40/914956640.db2.gz RJDCVFAVPSKWOV-IZZNHLLZSA-N 1 1 400.522 4.466 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1OC ZINC000506495630 915105948 /nfs/dbraw/zinc/10/59/48/915105948.db2.gz MWUZRTHHVIAGFK-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1OC ZINC000506495630 915105978 /nfs/dbraw/zinc/10/59/78/915105978.db2.gz MWUZRTHHVIAGFK-UHFFFAOYSA-N 1 1 412.505 4.137 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632904 915301325 /nfs/dbraw/zinc/30/13/25/915301325.db2.gz UTGUVJNWLFKDAD-HXUWFJFHSA-N 1 1 410.562 4.348 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506790122 915517703 /nfs/dbraw/zinc/51/77/03/915517703.db2.gz LHJYMMJXKNZLCA-IBGZPJMESA-N 1 1 413.468 4.441 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916920 915716375 /nfs/dbraw/zinc/71/63/75/915716375.db2.gz KHDZSNPWDMVMEE-UYAOXDASSA-N 1 1 421.507 4.353 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1)CC(C)C ZINC000507350423 916104406 /nfs/dbraw/zinc/10/44/06/916104406.db2.gz YMTZXWWOUWFISB-UHFFFAOYSA-N 1 1 421.589 4.273 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1SC ZINC000507700921 916484879 /nfs/dbraw/zinc/48/48/79/916484879.db2.gz YMZBSMQQNVHOIE-PSCUFVCCSA-N 1 1 403.592 4.168 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1SC ZINC000507700921 916484892 /nfs/dbraw/zinc/48/48/92/916484892.db2.gz YMZBSMQQNVHOIE-PSCUFVCCSA-N 1 1 403.592 4.168 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000508080097 916899011 /nfs/dbraw/zinc/89/90/11/916899011.db2.gz SNOOLPOMRYWJBW-ROUUACIJSA-N 1 1 423.561 4.046 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000508448926 917233137 /nfs/dbraw/zinc/23/31/37/917233137.db2.gz VHUJKUUDDFTEJI-UHFFFAOYSA-N 1 1 419.569 4.449 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508498240 917282938 /nfs/dbraw/zinc/28/29/38/917282938.db2.gz QRSBOXBPVMOXLM-MLDBQTBOSA-N 1 1 421.589 4.053 20 30 HIEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000508614675 917382653 /nfs/dbraw/zinc/38/26/53/917382653.db2.gz LIDKIDFGPLDYGI-UHFFFAOYSA-N 1 1 411.465 4.190 20 30 HIEDMO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719644 917481172 /nfs/dbraw/zinc/48/11/72/917481172.db2.gz LGNJJGDOKKDGQC-VJGHCQHZSA-N 1 1 404.558 4.143 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508749745 917506643 /nfs/dbraw/zinc/50/66/43/917506643.db2.gz WZJGKUWIYNTSPX-LJQANCHMSA-N 1 1 423.586 4.296 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508791250 917547480 /nfs/dbraw/zinc/54/74/80/917547480.db2.gz ADHSIXKKCYTCRG-RXVVDRJESA-N 1 1 411.619 4.154 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508828484 917581919 /nfs/dbraw/zinc/58/19/19/917581919.db2.gz UYGQUOUBXYDLKN-MZKRTTBSSA-N 1 1 421.589 4.231 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508883775 917637956 /nfs/dbraw/zinc/63/79/56/917637956.db2.gz CPIMUUHQEVPNSV-FGZHOGPDSA-N 1 1 423.605 4.176 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000508930197 917688522 /nfs/dbraw/zinc/68/85/22/917688522.db2.gz KKHSCAIIQOQZOF-FQEVSTJZSA-N 1 1 408.594 4.315 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500974 918146525 /nfs/dbraw/zinc/14/65/25/918146525.db2.gz BXWMVAKRXIVCJX-YJBOKZPZSA-N 1 1 406.555 4.118 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126553 919740357 /nfs/dbraw/zinc/74/03/57/919740357.db2.gz YRIDVXHUFYBUDD-MRXNPFEDSA-N 1 1 412.515 4.102 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126553 919740365 /nfs/dbraw/zinc/74/03/65/919740365.db2.gz YRIDVXHUFYBUDD-MRXNPFEDSA-N 1 1 412.515 4.102 20 30 HIEDMO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000511254960 919856729 /nfs/dbraw/zinc/85/67/29/919856729.db2.gz SVDKQTIZCGYNTK-GOSISDBHSA-N 1 1 406.505 4.060 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000511391360 919999472 /nfs/dbraw/zinc/99/94/72/919999472.db2.gz OVRUHEFJFFSUMX-LJQANCHMSA-N 1 1 420.557 4.299 20 30 HIEDMO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511423490 920038684 /nfs/dbraw/zinc/03/86/84/920038684.db2.gz NHNPLRSASPWGHV-VDVMUDLUSA-N 1 1 424.589 4.200 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)s2)cc1 ZINC000511654653 920320331 /nfs/dbraw/zinc/32/03/31/920320331.db2.gz FBRNMIOKTREJGC-NRFANRHFSA-N 1 1 402.523 4.209 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)s2)cc1 ZINC000511654653 920320350 /nfs/dbraw/zinc/32/03/50/920320350.db2.gz FBRNMIOKTREJGC-NRFANRHFSA-N 1 1 402.523 4.209 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670220 920335963 /nfs/dbraw/zinc/33/59/63/920335963.db2.gz GVMAJCJGHNLWFL-DNVJHFABSA-N 1 1 423.944 4.091 20 30 HIEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)ccc1F ZINC000511695422 920359850 /nfs/dbraw/zinc/35/98/50/920359850.db2.gz MVQOKOJFKMFYOP-UHFFFAOYSA-N 1 1 406.288 4.399 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000512151964 920893231 /nfs/dbraw/zinc/89/32/31/920893231.db2.gz JPHBLPLSZUFPFD-MBSDFSHPSA-N 1 1 422.573 4.425 20 30 HIEDMO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(C#N)cc1F ZINC000512280220 921034607 /nfs/dbraw/zinc/03/46/07/921034607.db2.gz OBFYQKQFGWZUGV-HOYKHHGWSA-N 1 1 401.485 4.276 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000512340552 921085557 /nfs/dbraw/zinc/08/55/57/921085557.db2.gz KXJLESYNNRKCDR-DYESRHJHSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000512340552 921085569 /nfs/dbraw/zinc/08/55/69/921085569.db2.gz KXJLESYNNRKCDR-DYESRHJHSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512340554 921086278 /nfs/dbraw/zinc/08/62/78/921086278.db2.gz KXJLESYNNRKCDR-UTKZUKDTSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512340554 921086289 /nfs/dbraw/zinc/08/62/89/921086289.db2.gz KXJLESYNNRKCDR-UTKZUKDTSA-N 1 1 409.555 4.001 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000512347324 921092381 /nfs/dbraw/zinc/09/23/81/921092381.db2.gz OHZSPYRXGAOIMH-XMSQKQJNSA-N 1 1 423.582 4.391 20 30 HIEDMO N#CC1(NC(=O)c2nc(-c3ccccc3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000513655259 921975378 /nfs/dbraw/zinc/97/53/78/921975378.db2.gz PPLANNDMYFCGPT-UHFFFAOYSA-N 1 1 402.523 4.098 20 30 HIEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000513791555 922118534 /nfs/dbraw/zinc/11/85/34/922118534.db2.gz QLRAGSPXYDFZOI-LLVKDONJSA-N 1 1 401.290 4.129 20 30 HIEDMO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000514105851 922435754 /nfs/dbraw/zinc/43/57/54/922435754.db2.gz UDBXYIBPWPIOEW-MRXNPFEDSA-N 1 1 401.470 4.020 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000514511972 922664980 /nfs/dbraw/zinc/66/49/80/922664980.db2.gz OGXUCFZJUBJQKJ-KRWDZBQOSA-N 1 1 411.575 4.382 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928403 922846846 /nfs/dbraw/zinc/84/68/46/922846846.db2.gz UNUVQJCMTAUVOX-QPPBQGQZSA-N 1 1 416.481 4.113 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000515411015 923088725 /nfs/dbraw/zinc/08/87/25/923088725.db2.gz ZCZXFWZCUIREBM-MRXNPFEDSA-N 1 1 414.347 4.410 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000515961914 923462556 /nfs/dbraw/zinc/46/25/56/923462556.db2.gz RVSOPUVXMJEIPB-GOSISDBHSA-N 1 1 411.571 4.133 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000516273243 923642337 /nfs/dbraw/zinc/64/23/37/923642337.db2.gz DAIDXKPXRZSTLM-UHFFFAOYSA-N 1 1 408.477 4.226 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000516472308 923750747 /nfs/dbraw/zinc/75/07/47/923750747.db2.gz XXWVODATCSXXJY-LJQANCHMSA-N 1 1 423.532 4.211 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[N@@H+](CC4CCC4)CC3)c2)c1 ZINC000516894321 923931979 /nfs/dbraw/zinc/93/19/79/923931979.db2.gz YLYHMDNPCVCPPK-UHFFFAOYSA-N 1 1 403.526 4.085 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255405 927111465 /nfs/dbraw/zinc/11/14/65/927111465.db2.gz BQLQSCZCLOUBOW-OAHLLOKOSA-N 1 1 403.408 4.310 20 30 HIEDMO C=CC[N@H+](Cc1nc2ccccc2n1C(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256529 927114474 /nfs/dbraw/zinc/11/44/74/927114474.db2.gz YYTODKREJOIZMU-OAHLLOKOSA-N 1 1 409.444 4.156 20 30 HIEDMO C=CC[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256529 927114484 /nfs/dbraw/zinc/11/44/84/927114484.db2.gz YYTODKREJOIZMU-OAHLLOKOSA-N 1 1 409.444 4.156 20 30 HIEDMO CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000518391073 927236781 /nfs/dbraw/zinc/23/67/81/927236781.db2.gz WESPUMQJIIOWKT-QFIPXVFZSA-N 1 1 421.541 4.022 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000518753489 927478052 /nfs/dbraw/zinc/47/80/52/927478052.db2.gz PDSBQYHHROMFNB-HNNXBMFYSA-N 1 1 400.573 4.322 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000518753489 927478057 /nfs/dbraw/zinc/47/80/57/927478057.db2.gz PDSBQYHHROMFNB-HNNXBMFYSA-N 1 1 400.573 4.322 20 30 HIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000518935376 927640327 /nfs/dbraw/zinc/64/03/27/927640327.db2.gz DDKRTBCFVAFAMK-GOSISDBHSA-N 1 1 409.530 4.361 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000519020973 927698601 /nfs/dbraw/zinc/69/86/01/927698601.db2.gz BNTFYZRJIONMRK-GOSISDBHSA-N 1 1 408.502 4.211 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000519044626 927719543 /nfs/dbraw/zinc/71/95/43/927719543.db2.gz GZNLAMUNSNODPF-UHFFFAOYSA-N 1 1 407.558 4.230 20 30 HIEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519609792 928026929 /nfs/dbraw/zinc/02/69/29/928026929.db2.gz UPCHMYFIQFNGRQ-OYRHEFFESA-N 1 1 424.552 4.181 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccc(Cl)cc1 ZINC000519908304 928141775 /nfs/dbraw/zinc/14/17/75/928141775.db2.gz ROTPMICVTYVALY-UHFFFAOYSA-N 1 1 416.953 4.127 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccc(Cl)cc1 ZINC000519908304 928141787 /nfs/dbraw/zinc/14/17/87/928141787.db2.gz ROTPMICVTYVALY-UHFFFAOYSA-N 1 1 416.953 4.127 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000520173192 928361773 /nfs/dbraw/zinc/36/17/73/928361773.db2.gz SNTMZVKMRQSSDZ-UHFFFAOYSA-N 1 1 415.484 4.276 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000520266562 928431489 /nfs/dbraw/zinc/43/14/89/928431489.db2.gz TWPAXHUVQFIPCF-JOCHJYFZSA-N 1 1 410.949 4.408 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000520266562 928431499 /nfs/dbraw/zinc/43/14/99/928431499.db2.gz TWPAXHUVQFIPCF-JOCHJYFZSA-N 1 1 410.949 4.408 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC000520271777 928436254 /nfs/dbraw/zinc/43/62/54/928436254.db2.gz JNBDICKPHVRVQQ-NRFANRHFSA-N 1 1 410.587 4.342 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000520922808 928876106 /nfs/dbraw/zinc/87/61/06/928876106.db2.gz UVUXYBDCUJPTNG-UHFFFAOYSA-N 1 1 417.340 4.329 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1Cl ZINC000521083690 928982157 /nfs/dbraw/zinc/98/21/57/928982157.db2.gz PLTLBJHEPAVENA-UHFFFAOYSA-N 1 1 414.912 4.267 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000525001166 929965425 /nfs/dbraw/zinc/96/54/25/929965425.db2.gz GGMDEHRPOWDICC-XXBNENTESA-N 1 1 409.530 4.053 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000525001166 929965428 /nfs/dbraw/zinc/96/54/28/929965428.db2.gz GGMDEHRPOWDICC-XXBNENTESA-N 1 1 409.530 4.053 20 30 HIEDMO N#CC1(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccc(Br)cc2)CCC1 ZINC000526135946 930542032 /nfs/dbraw/zinc/54/20/32/930542032.db2.gz YCHQICMXBKTQJU-UHFFFAOYSA-N 1 1 412.331 4.014 20 30 HIEDMO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccc(Br)cc2)CCC1 ZINC000526135946 930542040 /nfs/dbraw/zinc/54/20/40/930542040.db2.gz YCHQICMXBKTQJU-UHFFFAOYSA-N 1 1 412.331 4.014 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)cc2)c1 ZINC000530640317 930783800 /nfs/dbraw/zinc/78/38/00/930783800.db2.gz OIDIRVGXGUWLGM-FQEVSTJZSA-N 1 1 400.500 4.042 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000531587875 931111162 /nfs/dbraw/zinc/11/11/62/931111162.db2.gz KFDHULGELIKSCH-PBHICJAKSA-N 1 1 424.408 4.316 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000531587875 931111167 /nfs/dbraw/zinc/11/11/67/931111167.db2.gz KFDHULGELIKSCH-PBHICJAKSA-N 1 1 424.408 4.316 20 30 HIEDMO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2)cc1 ZINC000532181715 931338172 /nfs/dbraw/zinc/33/81/72/931338172.db2.gz TXOFQZOQTWZNEM-PKTZIBPZSA-N 1 1 420.513 4.115 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000532486558 931457170 /nfs/dbraw/zinc/45/71/70/931457170.db2.gz DIHSFCLVZFGAEH-QGZVFWFLSA-N 1 1 405.477 4.213 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000532486558 931457176 /nfs/dbraw/zinc/45/71/76/931457176.db2.gz DIHSFCLVZFGAEH-QGZVFWFLSA-N 1 1 405.477 4.213 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578718 931536724 /nfs/dbraw/zinc/53/67/24/931536724.db2.gz PVZUFPWBVBAMME-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578718 931536727 /nfs/dbraw/zinc/53/67/27/931536727.db2.gz PVZUFPWBVBAMME-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578718 931536731 /nfs/dbraw/zinc/53/67/31/931536731.db2.gz PVZUFPWBVBAMME-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532643396 931564988 /nfs/dbraw/zinc/56/49/88/931564988.db2.gz CWCZCQCHIKAORL-QGZVFWFLSA-N 1 1 406.555 4.317 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000532643396 931564993 /nfs/dbraw/zinc/56/49/93/931564993.db2.gz CWCZCQCHIKAORL-QGZVFWFLSA-N 1 1 406.555 4.317 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)c(OC)c1 ZINC000532739206 931618649 /nfs/dbraw/zinc/61/86/49/931618649.db2.gz GDTXLITVMYUJQG-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000532926090 931697160 /nfs/dbraw/zinc/69/71/60/931697160.db2.gz PTHIGSIKEIHAMG-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000532926090 931697168 /nfs/dbraw/zinc/69/71/68/931697168.db2.gz PTHIGSIKEIHAMG-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1sccc1C#N ZINC000532972021 931721017 /nfs/dbraw/zinc/72/10/17/931721017.db2.gz KMODWTBCNUPKOW-UHFFFAOYSA-N 1 1 422.348 4.112 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000532988274 931728328 /nfs/dbraw/zinc/72/83/28/931728328.db2.gz SPGIJNILFJURLD-LAUBAEHRSA-N 1 1 413.610 4.225 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013283 931735667 /nfs/dbraw/zinc/73/56/67/931735667.db2.gz IAJNYLBBTIAOPI-PXNSSMCTSA-N 1 1 402.523 4.153 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013283 931735677 /nfs/dbraw/zinc/73/56/77/931735677.db2.gz IAJNYLBBTIAOPI-PXNSSMCTSA-N 1 1 402.523 4.153 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(Br)c1 ZINC000533252218 931819618 /nfs/dbraw/zinc/81/96/18/931819618.db2.gz UVVXQTAMOFXERA-LBPRGKRZSA-N 1 1 418.360 4.330 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(Br)c1 ZINC000533252218 931819621 /nfs/dbraw/zinc/81/96/21/931819621.db2.gz UVVXQTAMOFXERA-LBPRGKRZSA-N 1 1 418.360 4.330 20 30 HIEDMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000533254849 931820544 /nfs/dbraw/zinc/82/05/44/931820544.db2.gz ACQHBYVJBGMISM-UHFFFAOYSA-N 1 1 420.557 4.137 20 30 HIEDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533281573 931826398 /nfs/dbraw/zinc/82/63/98/931826398.db2.gz VUUCDJTXTLFRBJ-FQEVSTJZSA-N 1 1 400.567 4.311 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533281573 931826401 /nfs/dbraw/zinc/82/64/01/931826401.db2.gz VUUCDJTXTLFRBJ-FQEVSTJZSA-N 1 1 400.567 4.311 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[N@H+](C4CCCC4)CC3)sc2C1 ZINC000533289794 931829318 /nfs/dbraw/zinc/82/93/18/931829318.db2.gz CVHDIESSFFEIAD-KRWDZBQOSA-N 1 1 414.619 4.023 20 30 HIEDMO CCCN1CCC([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533310414 931835922 /nfs/dbraw/zinc/83/59/22/931835922.db2.gz PJWIQCCBIFXKJQ-UHFFFAOYSA-N 1 1 407.558 4.452 20 30 HIEDMO CCCN1CCC([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533310414 931835923 /nfs/dbraw/zinc/83/59/23/931835923.db2.gz PJWIQCCBIFXKJQ-UHFFFAOYSA-N 1 1 407.558 4.452 20 30 HIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000533386279 931855271 /nfs/dbraw/zinc/85/52/71/931855271.db2.gz HXKUBNUYMSWELX-MRXNPFEDSA-N 1 1 400.573 4.211 20 30 HIEDMO CCC(CC)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000533403820 931859507 /nfs/dbraw/zinc/85/95/07/931859507.db2.gz BBXIAEHEHZDPFH-IBGZPJMESA-N 1 1 412.578 4.009 20 30 HIEDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533423648 931863240 /nfs/dbraw/zinc/86/32/40/931863240.db2.gz GJHMMRXOPZEKLQ-SFHVURJKSA-N 1 1 417.509 4.367 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480832 931879683 /nfs/dbraw/zinc/87/96/83/931879683.db2.gz DUYXVCLPZRVZKL-KRWDZBQOSA-N 1 1 417.488 4.126 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480832 931879686 /nfs/dbraw/zinc/87/96/86/931879686.db2.gz DUYXVCLPZRVZKL-KRWDZBQOSA-N 1 1 417.488 4.126 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000533487366 931882724 /nfs/dbraw/zinc/88/27/24/931882724.db2.gz JVADRFWJTHVPBM-QHCPKHFHSA-N 1 1 420.557 4.104 20 30 HIEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000533501532 931885481 /nfs/dbraw/zinc/88/54/81/931885481.db2.gz HNPVLTZMMSFSBG-KRWDZBQOSA-N 1 1 421.888 4.080 20 30 HIEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000533501532 931885483 /nfs/dbraw/zinc/88/54/83/931885483.db2.gz HNPVLTZMMSFSBG-KRWDZBQOSA-N 1 1 421.888 4.080 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000533508136 931888669 /nfs/dbraw/zinc/88/86/69/931888669.db2.gz PDGWXOLXKKENTK-UHFFFAOYSA-N 1 1 419.550 4.422 20 30 HIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533761780 932016668 /nfs/dbraw/zinc/01/66/68/932016668.db2.gz PSMOHLSTVNVGBI-LJQANCHMSA-N 1 1 421.932 4.363 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222187 932341271 /nfs/dbraw/zinc/34/12/71/932341271.db2.gz RFLOOKWBLHLXGX-IIBYNOLFSA-N 1 1 417.937 4.252 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534229359 932348600 /nfs/dbraw/zinc/34/86/00/932348600.db2.gz QCPGPASFJVEIFT-OAHLLOKOSA-N 1 1 403.885 4.255 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534229359 932348609 /nfs/dbraw/zinc/34/86/09/932348609.db2.gz QCPGPASFJVEIFT-OAHLLOKOSA-N 1 1 403.885 4.255 20 30 HIEDMO N#CCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000534636098 932612130 /nfs/dbraw/zinc/61/21/30/932612130.db2.gz WHOQTZYRAHJMPR-JOCHJYFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#CCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000534636098 932612141 /nfs/dbraw/zinc/61/21/41/932612141.db2.gz WHOQTZYRAHJMPR-JOCHJYFZSA-N 1 1 401.535 4.344 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534970354 932868063 /nfs/dbraw/zinc/86/80/63/932868063.db2.gz AUSVURONVMWCKR-NQIIRXRSSA-N 1 1 414.912 4.185 20 30 HIEDMO C=C(C)[C@H](CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000535154710 932971834 /nfs/dbraw/zinc/97/18/34/932971834.db2.gz PRSXIKYPBZAJRR-FQEVSTJZSA-N 1 1 412.496 4.500 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535676127 933325155 /nfs/dbraw/zinc/32/51/55/933325155.db2.gz OGNPASJNDUZZCH-OXQOHEQNSA-N 1 1 400.885 4.360 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000537648835 938346617 /nfs/dbraw/zinc/34/66/17/938346617.db2.gz VSXVXFUAOORTPR-QGZVFWFLSA-N 1 1 410.352 4.271 20 30 HIEDMO COc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000563315728 945176000 /nfs/dbraw/zinc/17/60/00/945176000.db2.gz DSUGNAKRGMSYME-NRFANRHFSA-N 1 1 422.916 4.443 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000563315728 945176007 /nfs/dbraw/zinc/17/60/07/945176007.db2.gz DSUGNAKRGMSYME-NRFANRHFSA-N 1 1 422.916 4.443 20 30 HIEDMO CN(c1ccccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727722 938694071 /nfs/dbraw/zinc/69/40/71/938694071.db2.gz REXDCPLHXFFPEB-AOYPEHQESA-N 1 1 402.586 4.489 20 30 HIEDMO CN(c1ccccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727721 938694149 /nfs/dbraw/zinc/69/41/49/938694149.db2.gz REXDCPLHXFFPEB-AHWVRZQESA-N 1 1 402.586 4.489 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OCC ZINC000538751808 938702347 /nfs/dbraw/zinc/70/23/47/938702347.db2.gz OUGLWVFAUMJPLU-SJORKVTESA-N 1 1 410.352 4.271 20 30 HIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000538787975 938711669 /nfs/dbraw/zinc/71/16/69/938711669.db2.gz CHHHITNKZNHTJX-JOCHJYFZSA-N 1 1 419.529 4.425 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000539358686 938847796 /nfs/dbraw/zinc/84/77/96/938847796.db2.gz ZFSPFECPURMIDF-LJQANCHMSA-N 1 1 410.386 4.192 20 30 HIEDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000539360944 938848504 /nfs/dbraw/zinc/84/85/04/938848504.db2.gz CXHQNEBFWDLUDQ-UHFFFAOYSA-N 1 1 422.397 4.120 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942300 /nfs/dbraw/zinc/94/23/00/938942300.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 1 1 411.384 4.327 20 30 HIEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827656 938948120 /nfs/dbraw/zinc/94/81/20/938948120.db2.gz PEJHMYRWFKSIJK-RUZDIDTESA-N 1 1 402.494 4.311 20 30 HIEDMO CC[C@@H](CSC)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540199540 939123195 /nfs/dbraw/zinc/12/31/95/939123195.db2.gz YWNCPWISGYJSQE-KRWDZBQOSA-N 1 1 402.564 4.020 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](CC)c2ccc(F)cc2F)cc1 ZINC000540415352 939240199 /nfs/dbraw/zinc/24/01/99/939240199.db2.gz ZVOFQICXCZXCKH-OAQYLSRUSA-N 1 1 401.457 4.351 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+]Cc3nccn3CCCc3ccccc3)CC2)cc1 ZINC000540595876 939314852 /nfs/dbraw/zinc/31/48/52/939314852.db2.gz HBETWRWGIFYKDV-UHFFFAOYSA-N 1 1 413.569 4.142 20 30 HIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540708212 939345088 /nfs/dbraw/zinc/34/50/88/939345088.db2.gz NPWLBWOMJBVRDG-OAHLLOKOSA-N 1 1 420.454 4.319 20 30 HIEDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126008 939469924 /nfs/dbraw/zinc/46/99/24/939469924.db2.gz SPYAVBUPZBDEMA-ZCNNSNEGSA-N 1 1 420.557 4.085 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C2CC2)cc1 ZINC000541388602 939502890 /nfs/dbraw/zinc/50/28/90/939502890.db2.gz BGVRYGUEMBUELQ-UHFFFAOYSA-N 1 1 401.432 4.114 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C2CC2)cc1 ZINC000541388602 939502892 /nfs/dbraw/zinc/50/28/92/939502892.db2.gz BGVRYGUEMBUELQ-UHFFFAOYSA-N 1 1 401.432 4.114 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000542459907 939826277 /nfs/dbraw/zinc/82/62/77/939826277.db2.gz QFGHWGKCQGOAMV-DLBZAZTESA-N 1 1 411.811 4.222 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629184 939850332 /nfs/dbraw/zinc/85/03/32/939850332.db2.gz XLUQASXVWOFGIL-PKOBYXMFSA-N 1 1 401.507 4.166 20 30 HIEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000542719660 939856448 /nfs/dbraw/zinc/85/64/48/939856448.db2.gz STPQCGUVGCMSGN-KRWDZBQOSA-N 1 1 407.823 4.235 20 30 HIEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543174294 939985395 /nfs/dbraw/zinc/98/53/95/939985395.db2.gz FRKKYUNIMOTVFY-XMMPIXPASA-N 1 1 403.526 4.285 20 30 HIEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543174294 939985400 /nfs/dbraw/zinc/98/54/00/939985400.db2.gz FRKKYUNIMOTVFY-XMMPIXPASA-N 1 1 403.526 4.285 20 30 HIEDMO Cc1sc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)nc1-c1ccc(Cl)cc1 ZINC000543503738 940088322 /nfs/dbraw/zinc/08/83/22/940088322.db2.gz KJASPZXFZXTPNY-RBZFPXEDSA-N 1 1 404.967 4.477 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563780431 945300664 /nfs/dbraw/zinc/30/06/64/945300664.db2.gz GODLNSGSMLFILG-IRLDBZIGSA-N 1 1 416.573 4.324 20 30 HIEDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)C2 ZINC000543873379 940219416 /nfs/dbraw/zinc/21/94/16/940219416.db2.gz NVPKWVHHMCXCIB-OAHLLOKOSA-N 1 1 409.555 4.140 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000544143029 940336834 /nfs/dbraw/zinc/33/68/34/940336834.db2.gz VNLVZJOHNBBJFZ-QWFCFKBJSA-N 1 1 404.432 4.217 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000544143029 940336838 /nfs/dbraw/zinc/33/68/38/940336838.db2.gz VNLVZJOHNBBJFZ-QWFCFKBJSA-N 1 1 404.432 4.217 20 30 HIEDMO C[C@@H](c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000544248371 940367622 /nfs/dbraw/zinc/36/76/22/940367622.db2.gz RCOFNQWZDCMIIE-SFHVURJKSA-N 1 1 404.514 4.148 20 30 HIEDMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000546098999 940698726 /nfs/dbraw/zinc/69/87/26/940698726.db2.gz PHFMTEWZJIMXPB-UHFFFAOYSA-N 1 1 408.449 4.193 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000546708395 940871528 /nfs/dbraw/zinc/87/15/28/940871528.db2.gz AKERMROCPVLLHM-UHFFFAOYSA-N 1 1 404.470 4.114 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000546708395 940871532 /nfs/dbraw/zinc/87/15/32/940871532.db2.gz AKERMROCPVLLHM-UHFFFAOYSA-N 1 1 404.470 4.114 20 30 HIEDMO COc1ccc([C@H](CCC#N)[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000547014087 940956800 /nfs/dbraw/zinc/95/68/00/940956800.db2.gz TXRDJCVCGXLJNW-SFHVURJKSA-N 1 1 402.292 4.031 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000547283766 941051802 /nfs/dbraw/zinc/05/18/02/941051802.db2.gz OBZHQKXBZSSANM-UHFFFAOYSA-N 1 1 404.514 4.219 20 30 HIEDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000548402666 941100080 /nfs/dbraw/zinc/10/00/80/941100080.db2.gz FMIHZBCRRCUXRC-HOTGVXAUSA-N 1 1 411.456 4.417 20 30 HIEDMO C=CCCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548978881 941138193 /nfs/dbraw/zinc/13/81/93/941138193.db2.gz HEOAIAPBYZMCGH-VCYXJBJXSA-N 1 1 405.970 4.146 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173080 941168283 /nfs/dbraw/zinc/16/82/83/941168283.db2.gz RCLUMEGUJYCRNQ-INIZCTEOSA-N 1 1 412.515 4.102 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173080 941168285 /nfs/dbraw/zinc/16/82/85/941168285.db2.gz RCLUMEGUJYCRNQ-INIZCTEOSA-N 1 1 412.515 4.102 20 30 HIEDMO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549234296 941172758 /nfs/dbraw/zinc/17/27/58/941172758.db2.gz QBJGWVKXSCUAQB-QZNYNHHHSA-N 1 1 408.011 4.472 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549249607 941173987 /nfs/dbraw/zinc/17/39/87/941173987.db2.gz GHHNZPNMBPBVHU-FYYLOGMGSA-N 1 1 416.573 4.340 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549287187 941177041 /nfs/dbraw/zinc/17/70/41/941177041.db2.gz HNOPBGVIQNUDHE-OFNKIYASSA-N 1 1 421.589 4.195 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549331776 941180738 /nfs/dbraw/zinc/18/07/38/941180738.db2.gz PCJBNHXUFPAEPV-UHFFFAOYSA-N 1 1 411.594 4.128 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063166 941277281 /nfs/dbraw/zinc/27/72/81/941277281.db2.gz IAEKQQYKISEUCP-VWLOTQADSA-N 1 1 408.542 4.376 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1C#N ZINC000550063306 941277295 /nfs/dbraw/zinc/27/72/95/941277295.db2.gz JJLWXTQLFFUBJR-XMMPIXPASA-N 1 1 414.594 4.151 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1C#N ZINC000550063306 941277299 /nfs/dbraw/zinc/27/72/99/941277299.db2.gz JJLWXTQLFFUBJR-XMMPIXPASA-N 1 1 414.594 4.151 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275746 941441662 /nfs/dbraw/zinc/44/16/62/941441662.db2.gz ZQPLUNUBFLOHEG-WJFTUGDTSA-N 1 1 407.480 4.194 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1Cl ZINC000551815903 941551395 /nfs/dbraw/zinc/55/13/95/941551395.db2.gz FAYOBYAPBAGFPV-PSLXWICFSA-N 1 1 422.916 4.287 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000552507723 941691380 /nfs/dbraw/zinc/69/13/80/941691380.db2.gz GYNHROGYXOYEPY-KRWDZBQOSA-N 1 1 416.447 4.004 20 30 HIEDMO C[NH+](C)Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc1Cl ZINC000552562598 941707933 /nfs/dbraw/zinc/70/79/33/941707933.db2.gz RLMNMOIREXALAM-UHFFFAOYSA-N 1 1 414.912 4.267 20 30 HIEDMO N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552851235 941787591 /nfs/dbraw/zinc/78/75/91/941787591.db2.gz PMJMHGUFWRXOTJ-SANMLTNESA-N 1 1 424.548 4.189 20 30 HIEDMO CCC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000553063493 941826835 /nfs/dbraw/zinc/82/68/35/941826835.db2.gz ZCLBNRIUFVFHNE-FQEVSTJZSA-N 1 1 409.440 4.092 20 30 HIEDMO N#Cc1cc(Cl)cc(Br)c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000553162522 941842864 /nfs/dbraw/zinc/84/28/64/941842864.db2.gz ZZWSNRIUPRIDPJ-KRWDZBQOSA-N 1 1 420.738 4.153 20 30 HIEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767860 941963227 /nfs/dbraw/zinc/96/32/27/941963227.db2.gz LLUZFIVUHWCBOF-GLDPYIMESA-N 1 1 403.526 4.347 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000554745296 942218410 /nfs/dbraw/zinc/21/84/10/942218410.db2.gz ISTRDWGNSGKTSK-LJQANCHMSA-N 1 1 401.510 4.037 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000554745296 942218436 /nfs/dbraw/zinc/21/84/36/942218436.db2.gz ISTRDWGNSGKTSK-LJQANCHMSA-N 1 1 401.510 4.037 20 30 HIEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554887239 942309185 /nfs/dbraw/zinc/30/91/85/942309185.db2.gz OKIZQNUEWMZGRM-UHFFFAOYSA-N 1 1 402.542 4.377 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000555290342 942464304 /nfs/dbraw/zinc/46/43/04/942464304.db2.gz BHZGRBGHDVQYKA-UHFFFAOYSA-N 1 1 402.546 4.017 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000556470950 942878109 /nfs/dbraw/zinc/87/81/09/942878109.db2.gz GLXDQPODKLUWBG-INIZCTEOSA-N 1 1 401.860 4.465 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000556470950 942878112 /nfs/dbraw/zinc/87/81/12/942878112.db2.gz GLXDQPODKLUWBG-INIZCTEOSA-N 1 1 401.860 4.465 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000556889834 942953424 /nfs/dbraw/zinc/95/34/24/942953424.db2.gz GZMCZVNYDSZFGF-FQEVSTJZSA-N 1 1 407.533 4.346 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000556896605 942956989 /nfs/dbraw/zinc/95/69/89/942956989.db2.gz ZOVYBKMPKGVOSH-WOJBJXKFSA-N 1 1 404.558 4.248 20 30 HIEDMO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000557430289 943121822 /nfs/dbraw/zinc/12/18/22/943121822.db2.gz WVWVEDPVRHBPFX-MSOLQXFVSA-N 1 1 416.997 4.197 20 30 HIEDMO Cc1cc(C#N)nc(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC000557570559 943214129 /nfs/dbraw/zinc/21/41/29/943214129.db2.gz OCXZBLQIGQMGGD-JOCHJYFZSA-N 1 1 403.917 4.222 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000557607467 943229704 /nfs/dbraw/zinc/22/97/04/943229704.db2.gz LDERHBHVKROTMF-SFTDATJTSA-N 1 1 424.589 4.292 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc(N)c1[N+](=O)[O-] ZINC000557630709 943238476 /nfs/dbraw/zinc/23/84/76/943238476.db2.gz KDBHDKLKHOIIJU-UHFFFAOYSA-N 1 1 420.300 4.432 20 30 HIEDMO Cn1c(C[N@H+](C)CCOCc2ccc(C#N)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000558425062 943556854 /nfs/dbraw/zinc/55/68/54/943556854.db2.gz OAXDPXHSQIRNSE-UHFFFAOYSA-N 1 1 402.420 4.112 20 30 HIEDMO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000558425062 943556862 /nfs/dbraw/zinc/55/68/62/943556862.db2.gz OAXDPXHSQIRNSE-UHFFFAOYSA-N 1 1 402.420 4.112 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000558476057 943568974 /nfs/dbraw/zinc/56/89/74/943568974.db2.gz JHGPETGRMIYNJU-FPDPHYFHSA-N 1 1 413.587 4.107 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000558981816 943783550 /nfs/dbraw/zinc/78/35/50/943783550.db2.gz NLPUKIQQYVBONX-SFHVURJKSA-N 1 1 401.986 4.267 20 30 HIEDMO C=CCCO[C@H](C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074129 944428636 /nfs/dbraw/zinc/42/86/36/944428636.db2.gz GOWCGFQOLWEFDN-ZJSXRUAMSA-N 1 1 407.558 4.056 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085333 944440264 /nfs/dbraw/zinc/44/02/64/944440264.db2.gz SOUYZGQNMBCJEJ-URXFXBBRSA-N 1 1 417.509 4.202 20 30 HIEDMO C=C(C)Cn1c(CC)nnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565749349 945880242 /nfs/dbraw/zinc/88/02/42/945880242.db2.gz RLJBZKYIRBCVAV-UHFFFAOYSA-N 1 1 407.484 4.148 20 30 HIEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565979797 945958185 /nfs/dbraw/zinc/95/81/85/945958185.db2.gz MPWHRGZFGLJENZ-PGRDOPGGSA-N 1 1 400.530 4.016 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000567796103 946412913 /nfs/dbraw/zinc/41/29/13/946412913.db2.gz ZIVSTMVSJXRGHT-UHFFFAOYSA-N 1 1 409.578 4.115 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[NH+]([C@H](C)c4ccsc4)CC3)c2c1 ZINC000569272518 946846171 /nfs/dbraw/zinc/84/61/71/946846171.db2.gz BEWFCLHORNOKDA-OAHLLOKOSA-N 1 1 408.527 4.068 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000569272514 946846452 /nfs/dbraw/zinc/84/64/52/946846452.db2.gz BEWFCLHORNOKDA-HNNXBMFYSA-N 1 1 408.527 4.068 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1OC ZINC000570834820 947366374 /nfs/dbraw/zinc/36/63/74/947366374.db2.gz DOPDGGGGHPNTOL-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000571008183 947429530 /nfs/dbraw/zinc/42/95/30/947429530.db2.gz PVDBZIQKWRAUNE-UHFFFAOYSA-N 1 1 402.546 4.134 20 30 HIEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000573531814 948234205 /nfs/dbraw/zinc/23/42/05/948234205.db2.gz DFRFGWQJNJBQPC-KRWDZBQOSA-N 1 1 402.420 4.131 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C[N@H+](CC)C4CC4)cc3)n2)c1 ZINC000574611733 948491927 /nfs/dbraw/zinc/49/19/27/948491927.db2.gz DRRUEZZZEAZTKZ-UHFFFAOYSA-N 1 1 402.498 4.304 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629778 719075499 /nfs/dbraw/zinc/07/54/99/719075499.db2.gz YZQKCHIDSALNDA-LPHOPBHVSA-N 1 1 402.876 4.252 20 30 HIEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810229 720207415 /nfs/dbraw/zinc/20/74/15/720207415.db2.gz AOYPYYWJFDZBTD-KOSHJBKYSA-N 1 1 424.976 4.253 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164840478 720684044 /nfs/dbraw/zinc/68/40/44/720684044.db2.gz FEPNBWPWEWOCFW-QHCPKHFHSA-N 1 1 412.537 4.366 20 30 HIEDMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1C#N ZINC001164913818 721737225 /nfs/dbraw/zinc/73/72/25/721737225.db2.gz YDUOLRVFFCTLGF-FQEVSTJZSA-N 1 1 417.891 4.048 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@@H]21 ZINC001165019850 721811901 /nfs/dbraw/zinc/81/19/01/721811901.db2.gz BZYCYBUDEKVGRJ-AJSBUHFISA-N 1 1 401.558 4.159 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]21 ZINC001165022746 721812435 /nfs/dbraw/zinc/81/24/35/721812435.db2.gz HBPODZFIINVTID-DKSSEZFCSA-N 1 1 416.356 4.392 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@H]21 ZINC001165028175 721822683 /nfs/dbraw/zinc/82/26/83/721822683.db2.gz UVNMFYWHZYUFJH-GZGNHOFSSA-N 1 1 424.552 4.147 20 30 HIEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955664 722019985 /nfs/dbraw/zinc/01/99/85/722019985.db2.gz MLNOSNPWXQEKQL-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994070 722207310 /nfs/dbraw/zinc/20/73/10/722207310.db2.gz FHKFHKWYTLJJKU-VWLOTQADSA-N 1 1 413.500 4.399 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000436255039 861566317 /nfs/dbraw/zinc/56/63/17/861566317.db2.gz TYFYQHACTIWATB-FQEVSTJZSA-N 1 1 401.470 4.164 20 30 HIEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015312523 846033399 /nfs/dbraw/zinc/03/33/99/846033399.db2.gz CXJUQLDOXCIRNU-QHCPKHFHSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015312523 846033407 /nfs/dbraw/zinc/03/34/07/846033407.db2.gz CXJUQLDOXCIRNU-QHCPKHFHSA-N 1 1 421.541 4.404 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000436332667 861637862 /nfs/dbraw/zinc/63/78/62/861637862.db2.gz PLLQEKCDZCJDJX-QTJGBDASSA-N 1 1 405.517 4.336 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022833578 846626447 /nfs/dbraw/zinc/62/64/47/846626447.db2.gz FXTHOXATXUDQQC-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022833578 846626452 /nfs/dbraw/zinc/62/64/52/846626452.db2.gz FXTHOXATXUDQQC-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3Br)CC2)cc1 ZINC000022850945 846628460 /nfs/dbraw/zinc/62/84/60/846628460.db2.gz GVGQGBKZVLJQTR-UHFFFAOYSA-N 1 1 402.311 4.168 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000025533236 846994922 /nfs/dbraw/zinc/99/49/22/846994922.db2.gz BBAJERFGNMJHDC-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000025533236 846994928 /nfs/dbraw/zinc/99/49/28/846994928.db2.gz BBAJERFGNMJHDC-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026206850 847102374 /nfs/dbraw/zinc/10/23/74/847102374.db2.gz HZQKFUYLNDFUBZ-LBPRGKRZSA-N 1 1 405.470 4.169 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026206850 847102378 /nfs/dbraw/zinc/10/23/78/847102378.db2.gz HZQKFUYLNDFUBZ-LBPRGKRZSA-N 1 1 405.470 4.169 20 30 HIEDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026454448 847152414 /nfs/dbraw/zinc/15/24/14/847152414.db2.gz DFEZIGZREUPEIE-CQSZACIVSA-N 1 1 403.429 4.017 20 30 HIEDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026454448 847152420 /nfs/dbraw/zinc/15/24/20/847152420.db2.gz DFEZIGZREUPEIE-CQSZACIVSA-N 1 1 403.429 4.017 20 30 HIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208170 847266443 /nfs/dbraw/zinc/26/64/43/847266443.db2.gz WAGQHQYDRKFRJD-XMMPIXPASA-N 1 1 422.475 4.435 20 30 HIEDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000029985890 847663992 /nfs/dbraw/zinc/66/39/92/847663992.db2.gz JWQDRZPIUXGPGI-UHFFFAOYSA-N 1 1 420.513 4.112 20 30 HIEDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000029985890 847663996 /nfs/dbraw/zinc/66/39/96/847663996.db2.gz JWQDRZPIUXGPGI-UHFFFAOYSA-N 1 1 420.513 4.112 20 30 HIEDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984228 847664041 /nfs/dbraw/zinc/66/40/41/847664041.db2.gz VMMWFLXPJZJJBM-UHFFFAOYSA-N 1 1 412.537 4.314 20 30 HIEDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984228 847664045 /nfs/dbraw/zinc/66/40/45/847664045.db2.gz VMMWFLXPJZJJBM-UHFFFAOYSA-N 1 1 412.537 4.314 20 30 HIEDMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984638 847664506 /nfs/dbraw/zinc/66/45/06/847664506.db2.gz OVSPREIPGMKDGZ-HXUWFJFHSA-N 1 1 419.569 4.358 20 30 HIEDMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984638 847664516 /nfs/dbraw/zinc/66/45/16/847664516.db2.gz OVSPREIPGMKDGZ-HXUWFJFHSA-N 1 1 419.569 4.358 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563756 848328158 /nfs/dbraw/zinc/32/81/58/848328158.db2.gz SRUKEVXPHNJFOZ-LJQANCHMSA-N 1 1 409.505 4.142 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000046437135 848848840 /nfs/dbraw/zinc/84/88/40/848848840.db2.gz AEFPYQNMWZDMHE-ZCNNSNEGSA-N 1 1 405.542 4.391 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000046437135 848848848 /nfs/dbraw/zinc/84/88/48/848848848.db2.gz AEFPYQNMWZDMHE-ZCNNSNEGSA-N 1 1 405.542 4.391 20 30 HIEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046983245 848967587 /nfs/dbraw/zinc/96/75/87/848967587.db2.gz IVUREKBNQBMGGX-FQEVSTJZSA-N 1 1 414.937 4.085 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4sccc4C#N)CC3)c2c1 ZINC000047257281 849016205 /nfs/dbraw/zinc/01/62/05/849016205.db2.gz XVQQEYLDWCRBIW-UHFFFAOYSA-N 1 1 406.511 4.228 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000052825767 849631478 /nfs/dbraw/zinc/63/14/78/849631478.db2.gz BOZMYSWRNPWGPH-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000052825767 849631486 /nfs/dbraw/zinc/63/14/86/849631486.db2.gz BOZMYSWRNPWGPH-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993588 849652710 /nfs/dbraw/zinc/65/27/10/849652710.db2.gz PIFWACHVMLUSCX-QKKBWIMNSA-N 1 1 402.926 4.104 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993587 849653201 /nfs/dbraw/zinc/65/32/01/849653201.db2.gz PIFWACHVMLUSCX-LHSJRXKWSA-N 1 1 402.926 4.104 20 30 HIEDMO Cc1ccc(-c2nnc([C@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000054643155 849898069 /nfs/dbraw/zinc/89/80/69/849898069.db2.gz UDFWZWDUHQSBNA-IBGZPJMESA-N 1 1 401.514 4.186 20 30 HIEDMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000058397007 850815512 /nfs/dbraw/zinc/81/55/12/850815512.db2.gz WJIMXJRARXPBJS-QHCPKHFHSA-N 1 1 421.541 4.150 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1OC ZINC000060355377 851075868 /nfs/dbraw/zinc/07/58/68/851075868.db2.gz YHHXRBBBDTXUHS-UHFFFAOYSA-N 1 1 408.542 4.041 20 30 HIEDMO CC(=O)N1CC[NH+](Cc2ccccc2NC2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000437030610 862215841 /nfs/dbraw/zinc/21/58/41/862215841.db2.gz FQBWDOXIAGJGCU-UHFFFAOYSA-N 1 1 416.569 4.167 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000063403308 851680438 /nfs/dbraw/zinc/68/04/38/851680438.db2.gz IZBFSJBBZWVNLM-RXVVDRJESA-N 1 1 408.502 4.128 20 30 HIEDMO Cc1nc(SCC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(C#N)c(C)c1C ZINC000064310793 851868578 /nfs/dbraw/zinc/86/85/78/851868578.db2.gz QHUJACQASMMWAL-UHFFFAOYSA-N 1 1 414.619 4.085 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c1C ZINC000065956232 852332289 /nfs/dbraw/zinc/33/22/89/852332289.db2.gz LOCXBQULQGTFGR-UHFFFAOYSA-N 1 1 404.558 4.151 20 30 HIEDMO N#CC1(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CCCCC1 ZINC000072030190 852473413 /nfs/dbraw/zinc/47/34/13/852473413.db2.gz TXIYTQXSHHADMV-UHFFFAOYSA-N 1 1 416.569 4.417 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(Br)cs1 ZINC000108146227 852826188 /nfs/dbraw/zinc/82/61/88/852826188.db2.gz SZRXSVNEFFQINJ-UHFFFAOYSA-N 1 1 412.740 4.496 20 30 HIEDMO C=CCc1cc(OCC)cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000108928127 852894625 /nfs/dbraw/zinc/89/46/25/852894625.db2.gz JPZYGLQVPIDMRJ-UHFFFAOYSA-N 1 1 414.933 4.131 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn2ccccc12 ZINC000110988076 853180970 /nfs/dbraw/zinc/18/09/70/853180970.db2.gz CFZQLLLWRKGIHU-QGZVFWFLSA-N 1 1 401.445 4.380 20 30 HIEDMO C=C(Br)C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000122715182 853368915 /nfs/dbraw/zinc/36/89/15/853368915.db2.gz BSXAXIBNZJHZKG-UHFFFAOYSA-N 1 1 413.935 4.218 20 30 HIEDMO C=CCOc1ccc(/C=C\C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1OC ZINC000210734955 853814139 /nfs/dbraw/zinc/81/41/39/853814139.db2.gz PRRGACZOWLDEFV-YFHOEESVSA-N 1 1 421.472 4.223 20 30 HIEDMO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000236780303 853922281 /nfs/dbraw/zinc/92/22/81/853922281.db2.gz GXLASIWEFOUTSX-UHFFFAOYSA-N 1 1 413.481 4.472 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000249904732 854192707 /nfs/dbraw/zinc/19/27/07/854192707.db2.gz HBKOHOXFKHVYOW-APWZRJJASA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000301086038 854292484 /nfs/dbraw/zinc/29/24/84/854292484.db2.gz JWWVFPLLBWADJV-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000301353665 854369245 /nfs/dbraw/zinc/36/92/45/854369245.db2.gz JULLUIVXSVTCKB-UHFFFAOYSA-N 1 1 402.389 4.260 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3ccc(Br)cc3C#N)CC2)oc1C ZINC000301476749 854404491 /nfs/dbraw/zinc/40/44/91/854404491.db2.gz OSSQSDGNXPRIEK-UHFFFAOYSA-N 1 1 403.324 4.250 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1C(F)(F)F ZINC000301760001 854460507 /nfs/dbraw/zinc/46/05/07/854460507.db2.gz ZRVHHLLDSJFPRU-UHFFFAOYSA-N 1 1 402.420 4.092 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000302050689 854522829 /nfs/dbraw/zinc/52/28/29/854522829.db2.gz ORCLPGZQDRXADM-PKOBYXMFSA-N 1 1 402.420 4.371 20 30 HIEDMO CSc1ccc([C@H](CNc2cnc(C#N)cn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000302241512 854555916 /nfs/dbraw/zinc/55/59/16/854555916.db2.gz OETQOGOKDBWYME-IBGZPJMESA-N 1 1 407.568 4.343 20 30 HIEDMO CSc1ccc([C@H](CNc2cnc(C#N)cn2)[N@H+]2CCc3sccc3C2)cc1 ZINC000302241512 854555921 /nfs/dbraw/zinc/55/59/21/854555921.db2.gz OETQOGOKDBWYME-IBGZPJMESA-N 1 1 407.568 4.343 20 30 HIEDMO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000302872882 854662762 /nfs/dbraw/zinc/66/27/62/854662762.db2.gz COLVNTMJWIKYGM-FQEVSTJZSA-N 1 1 406.917 4.329 20 30 HIEDMO Cc1ccc(C)n1-c1sccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000302900075 854672252 /nfs/dbraw/zinc/67/22/52/854672252.db2.gz QDEKYIVAKHDVDR-UHFFFAOYSA-N 1 1 418.566 4.375 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000303435085 854935610 /nfs/dbraw/zinc/93/56/10/854935610.db2.gz XPLHRRXCXNOGIU-UHFFFAOYSA-N 1 1 406.313 4.078 20 30 HIEDMO N#Cc1ccc(CSCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000303448516 854947212 /nfs/dbraw/zinc/94/72/12/854947212.db2.gz IYRUPIMDPREEFT-NOTZXAQLSA-N 1 1 405.567 4.103 20 30 HIEDMO N#CCc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303515686 855003682 /nfs/dbraw/zinc/00/36/82/855003682.db2.gz CDMBVQFZSIVJIN-LJQANCHMSA-N 1 1 402.420 4.167 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303738165 855163297 /nfs/dbraw/zinc/16/32/97/855163297.db2.gz HJFBNTITYCSOSB-XXBNENTESA-N 1 1 407.583 4.303 20 30 HIEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000303745554 855168234 /nfs/dbraw/zinc/16/82/34/855168234.db2.gz JVOSOXWYVIGLLQ-UWJYYQICSA-N 1 1 410.949 4.135 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000303816156 855219117 /nfs/dbraw/zinc/21/91/17/855219117.db2.gz ZYTCGXOWSOVBHE-UGKGYDQZSA-N 1 1 408.542 4.385 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000303816152 855219296 /nfs/dbraw/zinc/21/92/96/855219296.db2.gz ZYTCGXOWSOVBHE-SIKLNZKXSA-N 1 1 408.542 4.385 20 30 HIEDMO C#CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000303826322 855226865 /nfs/dbraw/zinc/22/68/65/855226865.db2.gz FVGITORPKZFGED-UHFFFAOYSA-N 1 1 416.443 4.066 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000409650872 855583091 /nfs/dbraw/zinc/58/30/91/855583091.db2.gz ITDRFTFDKGGWBK-IBGZPJMESA-N 1 1 412.578 4.133 20 30 HIEDMO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000410177804 855851942 /nfs/dbraw/zinc/85/19/42/855851942.db2.gz IDNOLIXPLHYLDH-GOSISDBHSA-N 1 1 408.571 4.259 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000426137850 856133080 /nfs/dbraw/zinc/13/30/80/856133080.db2.gz GMBDGOXRZDMZJA-HZPDHXFCSA-N 1 1 412.921 4.143 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426194383 856168075 /nfs/dbraw/zinc/16/80/75/856168075.db2.gz AQEKJMAEGSATAJ-NRFANRHFSA-N 1 1 422.525 4.309 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000426445692 856295044 /nfs/dbraw/zinc/29/50/44/856295044.db2.gz NPRZWQLHIKMKTG-XMMPIXPASA-N 1 1 422.598 4.163 20 30 HIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426670155 856404943 /nfs/dbraw/zinc/40/49/43/856404943.db2.gz CWLMGSDVTZQASV-PKOBYXMFSA-N 1 1 407.424 4.117 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426857227 856515153 /nfs/dbraw/zinc/51/51/53/856515153.db2.gz GPSOYUUAXFOSPW-JOCHJYFZSA-N 1 1 405.889 4.052 20 30 HIEDMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC#Cc4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000427003003 856589231 /nfs/dbraw/zinc/58/92/31/856589231.db2.gz SSGFWCYPSHBEBY-MRXNPFEDSA-N 1 1 422.912 4.006 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](CCCCO)C3CC3)sc2C1 ZINC000427007330 856592286 /nfs/dbraw/zinc/59/22/86/856592286.db2.gz GVOUYWUMJJNNSG-INIZCTEOSA-N 1 1 417.619 4.336 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](CCCCO)C3CC3)sc2C1 ZINC000427007330 856592292 /nfs/dbraw/zinc/59/22/92/856592292.db2.gz GVOUYWUMJJNNSG-INIZCTEOSA-N 1 1 417.619 4.336 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c2ccccc21 ZINC000437535063 862871484 /nfs/dbraw/zinc/87/14/84/862871484.db2.gz JHCUGPITNWOUAR-OAQYLSRUSA-N 1 1 401.510 4.071 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c2ccccc21 ZINC000437535063 862871487 /nfs/dbraw/zinc/87/14/87/862871487.db2.gz JHCUGPITNWOUAR-OAQYLSRUSA-N 1 1 401.510 4.071 20 30 HIEDMO CC(C)O[C@@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000428360322 857172369 /nfs/dbraw/zinc/17/23/69/857172369.db2.gz CSTOYNFNNBCVTL-NRFANRHFSA-N 1 1 406.486 4.095 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000429062972 857486628 /nfs/dbraw/zinc/48/66/28/857486628.db2.gz GTWDWZFQBPWLIH-HXUWFJFHSA-N 1 1 424.520 4.472 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429260660 857579706 /nfs/dbraw/zinc/57/97/06/857579706.db2.gz NFYXNAMVQBIVPA-JOCHJYFZSA-N 1 1 405.546 4.401 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2C)c1C#N ZINC000429310025 857598833 /nfs/dbraw/zinc/59/88/33/857598833.db2.gz OIZOLXQHEQLISO-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cc(C)ccc2C)c1C#N ZINC000429310025 857598837 /nfs/dbraw/zinc/59/88/37/857598837.db2.gz OIZOLXQHEQLISO-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000429827035 857899354 /nfs/dbraw/zinc/89/93/54/857899354.db2.gz LHIFKIJYNALVSQ-UHFFFAOYSA-N 1 1 414.534 4.301 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000429827035 857899359 /nfs/dbraw/zinc/89/93/59/857899359.db2.gz LHIFKIJYNALVSQ-UHFFFAOYSA-N 1 1 414.534 4.301 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000429886542 857927640 /nfs/dbraw/zinc/92/76/40/857927640.db2.gz OKJKQGQMYMDKDG-INIZCTEOSA-N 1 1 419.550 4.232 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000429886542 857927644 /nfs/dbraw/zinc/92/76/44/857927644.db2.gz OKJKQGQMYMDKDG-INIZCTEOSA-N 1 1 419.550 4.232 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 ZINC000430182685 858070042 /nfs/dbraw/zinc/07/00/42/858070042.db2.gz ZMNZZWLURKQMGH-QFIPXVFZSA-N 1 1 413.525 4.145 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1Cl ZINC000430344318 858128014 /nfs/dbraw/zinc/12/80/14/858128014.db2.gz OGWPITVOWQALGQ-UHFFFAOYSA-N 1 1 419.916 4.075 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430671302 858261845 /nfs/dbraw/zinc/26/18/45/858261845.db2.gz WJNNOFOMGUZJFR-CKUXNOBLSA-N 1 1 405.542 4.131 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914565 858368992 /nfs/dbraw/zinc/36/89/92/858368992.db2.gz LRHTUKMTVZNKOI-RDPSFJRHSA-N 1 1 423.532 4.185 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914565 858369008 /nfs/dbraw/zinc/36/90/08/858369008.db2.gz LRHTUKMTVZNKOI-RDPSFJRHSA-N 1 1 423.532 4.185 20 30 HIEDMO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431419098 858605779 /nfs/dbraw/zinc/60/57/79/858605779.db2.gz CRTXLQUOTMAPGB-TUACAJSNSA-N 1 1 417.553 4.101 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700319 858749492 /nfs/dbraw/zinc/74/94/92/858749492.db2.gz VBNPCNWFSNHNMZ-UGKGYDQZSA-N 1 1 422.529 4.346 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)oc1C ZINC000431921085 858871003 /nfs/dbraw/zinc/87/10/03/858871003.db2.gz WCANNTJKXZPTQC-QFIPXVFZSA-N 1 1 423.561 4.238 20 30 HIEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCO1 ZINC000432540054 859216905 /nfs/dbraw/zinc/21/69/05/859216905.db2.gz BNWLSAYUJLVBDJ-LJQANCHMSA-N 1 1 423.582 4.081 20 30 HIEDMO N#Cc1cscc1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000432715227 859314891 /nfs/dbraw/zinc/31/48/91/859314891.db2.gz YDNVAAIBMRBDIP-UHFFFAOYSA-N 1 1 416.550 4.190 20 30 HIEDMO N#CCCC[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000432921741 859431222 /nfs/dbraw/zinc/43/12/22/859431222.db2.gz GAMCHGWJLFIMCT-QHCPKHFHSA-N 1 1 406.530 4.118 20 30 HIEDMO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](O)COCC(F)(F)F ZINC000433188301 859560408 /nfs/dbraw/zinc/56/04/08/859560408.db2.gz CHINUAOAZJWYTD-LBPRGKRZSA-N 1 1 413.280 4.096 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433295838 859622034 /nfs/dbraw/zinc/62/20/34/859622034.db2.gz GDNOPTFKPMMVJR-OAHLLOKOSA-N 1 1 418.360 4.275 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433833296 859921328 /nfs/dbraw/zinc/92/13/28/859921328.db2.gz NFUUJBDTCOTBKI-FQEVSTJZSA-N 1 1 407.562 4.491 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c(-c2ccncc2)n1 ZINC000434980758 860584881 /nfs/dbraw/zinc/58/48/81/860584881.db2.gz BDEDKISITBEIQR-UHFFFAOYSA-N 1 1 405.452 4.426 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c(-c2ccncc2)n1 ZINC000434980758 860584898 /nfs/dbraw/zinc/58/48/98/860584898.db2.gz BDEDKISITBEIQR-UHFFFAOYSA-N 1 1 405.452 4.426 20 30 HIEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCN(c2cnccn2)CC1 ZINC000435029217 860606774 /nfs/dbraw/zinc/60/67/74/860606774.db2.gz LVBZWMYXBFYTNR-UHFFFAOYSA-N 1 1 413.525 4.028 20 30 HIEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000435055009 860617820 /nfs/dbraw/zinc/61/78/20/860617820.db2.gz AOYCLHBHMSYPER-FQEVSTJZSA-N 1 1 408.502 4.225 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128152 860653462 /nfs/dbraw/zinc/65/34/62/860653462.db2.gz ZNVJOQJMANWJDT-FCHUYYIVSA-N 1 1 407.562 4.418 20 30 HIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435129250 860654310 /nfs/dbraw/zinc/65/43/10/860654310.db2.gz MEQJENICBGZXOJ-LJQANCHMSA-N 1 1 403.530 4.178 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000435383624 860778914 /nfs/dbraw/zinc/77/89/14/860778914.db2.gz JKBIEHGTHNXPMM-QZTJIDSGSA-N 1 1 407.514 4.207 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000467765774 881584202 /nfs/dbraw/zinc/58/42/02/881584202.db2.gz BDOFVFZHYIGLMS-QHCPKHFHSA-N 1 1 407.876 4.346 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H]2Cc2ccccc2)c1C#N ZINC000437842418 863199160 /nfs/dbraw/zinc/19/91/60/863199160.db2.gz YFXPZUXLZGFHDJ-NRFANRHFSA-N 1 1 416.525 4.264 20 30 HIEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)o2)cc1 ZINC000437856334 863214783 /nfs/dbraw/zinc/21/47/83/863214783.db2.gz ZKUQJSUYQQXKKG-FQEVSTJZSA-N 1 1 407.514 4.257 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437960977 863331808 /nfs/dbraw/zinc/33/18/08/863331808.db2.gz GVXLXJNCVRFSQW-NQIIRXRSSA-N 1 1 406.530 4.392 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437960982 863331927 /nfs/dbraw/zinc/33/19/27/863331927.db2.gz GVXLXJNCVRFSQW-RXVVDRJESA-N 1 1 406.530 4.392 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000438180358 863604353 /nfs/dbraw/zinc/60/43/53/863604353.db2.gz CBMQLVAIHQZHKW-SFHVURJKSA-N 1 1 408.502 4.165 20 30 HIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000438720274 864202564 /nfs/dbraw/zinc/20/25/64/864202564.db2.gz XCSFFIGXKUIJEN-MRXNPFEDSA-N 1 1 402.395 4.118 20 30 HIEDMO CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000438844520 864338035 /nfs/dbraw/zinc/33/80/35/864338035.db2.gz XBJYWXMAFHEZJN-HJOGWXRNSA-N 1 1 420.557 4.010 20 30 HIEDMO CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000438844520 864338051 /nfs/dbraw/zinc/33/80/51/864338051.db2.gz XBJYWXMAFHEZJN-HJOGWXRNSA-N 1 1 420.557 4.010 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)sc2c1CCCC2 ZINC000439000339 864454617 /nfs/dbraw/zinc/45/46/17/864454617.db2.gz AAMFDGLPMLMXIU-RLLQIKCJSA-N 1 1 415.603 4.233 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000439098670 864539068 /nfs/dbraw/zinc/53/90/68/864539068.db2.gz HVMYWUBVHLNCFT-UHFFFAOYSA-N 1 1 414.406 4.375 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439439366 864832043 /nfs/dbraw/zinc/83/20/43/864832043.db2.gz OBAVDCHWBDUOTF-MRXNPFEDSA-N 1 1 401.860 4.225 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439550307 864876763 /nfs/dbraw/zinc/87/67/63/864876763.db2.gz OLRMZLZSZSXWNK-FQEVSTJZSA-N 1 1 422.548 4.237 20 30 HIEDMO CCCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684165 865019445 /nfs/dbraw/zinc/01/94/45/865019445.db2.gz KNWACPDMCUNJKO-HKUYNNGSSA-N 1 1 408.550 4.033 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000441071380 866161500 /nfs/dbraw/zinc/16/15/00/866161500.db2.gz HULNQFBKOWVDTK-HNNXBMFYSA-N 1 1 422.476 4.288 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000441071380 866161509 /nfs/dbraw/zinc/16/15/09/866161509.db2.gz HULNQFBKOWVDTK-HNNXBMFYSA-N 1 1 422.476 4.288 20 30 HIEDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000441076780 866171224 /nfs/dbraw/zinc/17/12/24/866171224.db2.gz YMPRBPWIFHSPIJ-GOSISDBHSA-N 1 1 411.571 4.100 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1C ZINC000441344049 866415494 /nfs/dbraw/zinc/41/54/94/866415494.db2.gz XFWYAHBARBWWDQ-XMMPIXPASA-N 1 1 404.558 4.453 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441352356 866421895 /nfs/dbraw/zinc/42/18/95/866421895.db2.gz KJQXPIISFOLUJU-KNQAVFIVSA-N 1 1 420.557 4.233 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccc(Cl)c2)cc1 ZINC000443452565 868040605 /nfs/dbraw/zinc/04/06/05/868040605.db2.gz JMONNFCNUZBEQS-PKTZIBPZSA-N 1 1 411.933 4.226 20 30 HIEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443672748 868279048 /nfs/dbraw/zinc/27/90/48/868279048.db2.gz HGXYOBKJURUNMX-KDURUIRLSA-N 1 1 423.582 4.329 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000444058746 868596882 /nfs/dbraw/zinc/59/68/82/868596882.db2.gz YOCRDDMTXJGIPT-UHFFFAOYSA-N 1 1 405.498 4.450 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000444058746 868596891 /nfs/dbraw/zinc/59/68/91/868596891.db2.gz YOCRDDMTXJGIPT-UHFFFAOYSA-N 1 1 405.498 4.450 20 30 HIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000444663708 868941942 /nfs/dbraw/zinc/94/19/42/868941942.db2.gz LAIZXXMGFOUAIU-PKTZIBPZSA-N 1 1 410.583 4.174 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000444663708 868941945 /nfs/dbraw/zinc/94/19/45/868941945.db2.gz LAIZXXMGFOUAIU-PKTZIBPZSA-N 1 1 410.583 4.174 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000444674928 868952571 /nfs/dbraw/zinc/95/25/71/868952571.db2.gz KVNVOHZDAMFBPX-XNROWMOSSA-N 1 1 417.504 4.401 20 30 HIEDMO O=C1[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC000444740795 868982943 /nfs/dbraw/zinc/98/29/43/868982943.db2.gz WTHLMIRHIBPTRY-RYUDHWBXSA-N 1 1 422.291 4.452 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744876 868984337 /nfs/dbraw/zinc/98/43/37/868984337.db2.gz RMNKOZQALNSMKX-GDBMZVCRSA-N 1 1 409.374 4.343 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000444796402 869013846 /nfs/dbraw/zinc/01/38/46/869013846.db2.gz BLBSNRZQJSDJFS-JOCHJYFZSA-N 1 1 416.525 4.259 20 30 HIEDMO N#Cc1cc(F)c(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000445997839 869960873 /nfs/dbraw/zinc/96/08/73/869960873.db2.gz CAOUQAINLNGEFR-UHFFFAOYSA-N 1 1 423.385 4.250 20 30 HIEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000446960775 870863157 /nfs/dbraw/zinc/86/31/57/870863157.db2.gz PZSBCWJKUXBCSS-UHFFFAOYSA-N 1 1 404.495 4.186 20 30 HIEDMO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883289 871798244 /nfs/dbraw/zinc/79/82/44/871798244.db2.gz SBTVZIAWADBLFA-CVDCTZTESA-N 1 1 418.541 4.101 20 30 HIEDMO CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883289 871798249 /nfs/dbraw/zinc/79/82/49/871798249.db2.gz SBTVZIAWADBLFA-CVDCTZTESA-N 1 1 418.541 4.101 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448204511 872094032 /nfs/dbraw/zinc/09/40/32/872094032.db2.gz OHFMIJYFYGBEKK-RCZVLFRGSA-N 1 1 415.537 4.226 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460378836 873018827 /nfs/dbraw/zinc/01/88/27/873018827.db2.gz ZVBMJWDGRFFMIY-ICSRJNTNSA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460769260 873615437 /nfs/dbraw/zinc/61/54/37/873615437.db2.gz HNZNZPUHSARGNT-LGGPRVQUSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460775891 873628332 /nfs/dbraw/zinc/62/83/32/873628332.db2.gz HQRRHXKXBXPADT-KKSHJYNMSA-N 1 1 423.605 4.441 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460802723 873674621 /nfs/dbraw/zinc/67/46/21/873674621.db2.gz CGEGNUCYCWPSDC-UHFFFAOYSA-N 1 1 423.536 4.084 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460927077 873831669 /nfs/dbraw/zinc/83/16/69/873831669.db2.gz MQQWSLYADKJHHO-VWLOTQADSA-N 1 1 416.573 4.342 20 30 HIEDMO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460964700 873861789 /nfs/dbraw/zinc/86/17/89/873861789.db2.gz VVHQFVRPQNHOCL-UHFFFAOYSA-N 1 1 418.589 4.171 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461492673 874561019 /nfs/dbraw/zinc/56/10/19/874561019.db2.gz YUODDBGORNPCFV-FXAWDEMLSA-N 1 1 420.586 4.236 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468776756 882854904 /nfs/dbraw/zinc/85/49/04/882854904.db2.gz BIROGDHOMNFOPD-GOSISDBHSA-N 1 1 406.530 4.330 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462028440 875143535 /nfs/dbraw/zinc/14/35/35/875143535.db2.gz DXHVDOZSPOSZCG-UHFFFAOYSA-N 1 1 422.298 4.000 20 30 HIEDMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462097618 875207250 /nfs/dbraw/zinc/20/72/50/875207250.db2.gz LVFRDHPVGNYLTK-UHFFFAOYSA-N 1 1 401.489 4.175 20 30 HIEDMO C=CCOc1c(Br)cc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000462750974 875818098 /nfs/dbraw/zinc/81/80/98/875818098.db2.gz SKASYVYOFRKCHW-SFHVURJKSA-N 1 1 423.395 4.377 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1OC ZINC000462750974 875818100 /nfs/dbraw/zinc/81/81/00/875818100.db2.gz SKASYVYOFRKCHW-SFHVURJKSA-N 1 1 423.395 4.377 20 30 HIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1C ZINC000462774375 875833087 /nfs/dbraw/zinc/83/30/87/875833087.db2.gz GGOYUQOJLUYGRR-UHFFFAOYSA-N 1 1 417.488 4.355 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)c4cccc(C#N)c4)n3)cc2F)CC1 ZINC000463051212 876078425 /nfs/dbraw/zinc/07/84/25/876078425.db2.gz AWKHIFKZZBUGFO-MRXNPFEDSA-N 1 1 405.477 4.041 20 30 HIEDMO C=CCc1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000468932489 882996869 /nfs/dbraw/zinc/99/68/69/882996869.db2.gz LREAFXMTJYBXGW-JOCHJYFZSA-N 1 1 408.542 4.103 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999432 883066295 /nfs/dbraw/zinc/06/62/95/883066295.db2.gz NVEUJQKYVMVPEN-QGZVFWFLSA-N 1 1 404.539 4.299 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999432 883066317 /nfs/dbraw/zinc/06/63/17/883066317.db2.gz NVEUJQKYVMVPEN-QGZVFWFLSA-N 1 1 404.539 4.299 20 30 HIEDMO Cc1oc2ccccc2c1CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464155066 877323774 /nfs/dbraw/zinc/32/37/74/877323774.db2.gz UIYVTWSIRJCULY-UHFFFAOYSA-N 1 1 416.525 4.073 20 30 HIEDMO N#CC1(NC(=O)c2nc3ccccc3cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000464283956 877472266 /nfs/dbraw/zinc/47/22/66/877472266.db2.gz HIALIHJSANUGTC-UHFFFAOYSA-N 1 1 404.901 4.176 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 ZINC000464645971 877864752 /nfs/dbraw/zinc/86/47/52/877864752.db2.gz WLFUCNVRPBDISQ-UHFFFAOYSA-N 1 1 422.492 4.023 20 30 HIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780526 878024915 /nfs/dbraw/zinc/02/49/15/878024915.db2.gz UDHWAIXCAGWJIB-HKUYNNGSSA-N 1 1 414.575 4.162 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829892 878085811 /nfs/dbraw/zinc/08/58/11/878085811.db2.gz OXUJJACADKKQRR-ICSRJNTNSA-N 1 1 404.539 4.209 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829892 878085827 /nfs/dbraw/zinc/08/58/27/878085827.db2.gz OXUJJACADKKQRR-ICSRJNTNSA-N 1 1 404.539 4.209 20 30 HIEDMO C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000464833517 878092047 /nfs/dbraw/zinc/09/20/47/878092047.db2.gz FAZAGLDHFZSOQR-OAQYLSRUSA-N 1 1 414.553 4.334 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464903274 878213809 /nfs/dbraw/zinc/21/38/09/878213809.db2.gz VNICPPAJPRVPDQ-GBXCKJPGSA-N 1 1 405.542 4.085 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465188458 878582755 /nfs/dbraw/zinc/58/27/55/878582755.db2.gz UXGBEWMTLUXYTM-NTKDMRAZSA-N 1 1 421.541 4.321 20 30 HIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000465199068 878604203 /nfs/dbraw/zinc/60/42/03/878604203.db2.gz XAAMGQWCRUPQMK-SFHVURJKSA-N 1 1 409.555 4.151 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1Cl ZINC000465464413 878897999 /nfs/dbraw/zinc/89/79/99/878897999.db2.gz CLXDGQZYWJRMIA-ILWGZMRPSA-N 1 1 410.949 4.424 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437107 912445178 /nfs/dbraw/zinc/44/51/78/912445178.db2.gz WWYMYJYRQIKIKZ-RBUKOAKNSA-N 1 1 412.603 4.064 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466599990 880370689 /nfs/dbraw/zinc/37/06/89/880370689.db2.gz MVBFIAWGXSSZFS-IBGZPJMESA-N 1 1 421.545 4.318 20 30 HIEDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000467117376 880874813 /nfs/dbraw/zinc/87/48/13/880874813.db2.gz KUGOFKSGEJCIRD-LJQANCHMSA-N 1 1 400.567 4.169 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000469425436 883604881 /nfs/dbraw/zinc/60/48/81/883604881.db2.gz AWHMFFOURBBLBZ-NRFANRHFSA-N 1 1 400.526 4.339 20 30 HIEDMO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000470363246 884757260 /nfs/dbraw/zinc/75/72/60/884757260.db2.gz HKCYLZBSCQUYPR-JOCHJYFZSA-N 1 1 412.896 4.156 20 30 HIEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000470363246 884757275 /nfs/dbraw/zinc/75/72/75/884757275.db2.gz HKCYLZBSCQUYPR-JOCHJYFZSA-N 1 1 412.896 4.156 20 30 HIEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000471005235 885504885 /nfs/dbraw/zinc/50/48/85/885504885.db2.gz KLVMZUBSRPXRJB-NRFANRHFSA-N 1 1 421.932 4.205 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c1C#N ZINC000471019800 885524255 /nfs/dbraw/zinc/52/42/55/885524255.db2.gz RFRYDSIVLUECQG-UHFFFAOYSA-N 1 1 419.554 4.420 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169504 885726468 /nfs/dbraw/zinc/72/64/68/885726468.db2.gz OXOIMOQFBILCHW-CTNGQTDRSA-N 1 1 422.598 4.478 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 ZINC000472241162 887048890 /nfs/dbraw/zinc/04/88/90/887048890.db2.gz PYQSMIXISCYABW-FQEVSTJZSA-N 1 1 401.466 4.303 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 ZINC000472241162 887048904 /nfs/dbraw/zinc/04/89/04/887048904.db2.gz PYQSMIXISCYABW-FQEVSTJZSA-N 1 1 401.466 4.303 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538238 887413596 /nfs/dbraw/zinc/41/35/96/887413596.db2.gz YSPRFVWBSZGKLO-UPVQGACJSA-N 1 1 420.532 4.251 20 30 HIEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472570306 887456867 /nfs/dbraw/zinc/45/68/67/887456867.db2.gz NGQBNOJRZPOAGU-JOCHJYFZSA-N 1 1 403.570 4.371 20 30 HIEDMO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472722890 887570648 /nfs/dbraw/zinc/57/06/48/887570648.db2.gz GILHPDJXLMDLLO-GOSISDBHSA-N 1 1 414.456 4.288 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000504309893 913158387 /nfs/dbraw/zinc/15/83/87/913158387.db2.gz LOKBQXOJXZQLSR-YADHBBJMSA-N 1 1 404.514 4.080 20 30 HIEDMO C[C@@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473013059 887840789 /nfs/dbraw/zinc/84/07/89/887840789.db2.gz ZQMIRNVIOLNWSA-FQEVSTJZSA-N 1 1 420.557 4.022 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473615734 888355527 /nfs/dbraw/zinc/35/55/27/888355527.db2.gz RHYMMFRHTCVKKE-DEOSSOPVSA-N 1 1 404.514 4.087 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000504445864 913255063 /nfs/dbraw/zinc/25/50/63/913255063.db2.gz ZUTQBAQDTRVABN-XZOQPEGZSA-N 1 1 404.558 4.284 20 30 HIEDMO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C)c1 ZINC000474161681 889000898 /nfs/dbraw/zinc/00/08/98/889000898.db2.gz YIFILOBOZDBGNT-UHFFFAOYSA-N 1 1 415.921 4.468 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C)c1 ZINC000474161681 889000909 /nfs/dbraw/zinc/00/09/09/889000909.db2.gz YIFILOBOZDBGNT-UHFFFAOYSA-N 1 1 415.921 4.468 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474241143 889088510 /nfs/dbraw/zinc/08/85/10/889088510.db2.gz UFIOJJUBCODRKW-FPOVZHCZSA-N 1 1 422.598 4.083 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474616851 889480554 /nfs/dbraw/zinc/48/05/54/889480554.db2.gz KAKFZWUVBPWQBM-SFHVURJKSA-N 1 1 402.420 4.315 20 30 HIEDMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000474819041 889673081 /nfs/dbraw/zinc/67/30/81/889673081.db2.gz NFRJZOZBZSMZQF-AWEZNQCLSA-N 1 1 412.349 4.133 20 30 HIEDMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000474819041 889673088 /nfs/dbraw/zinc/67/30/88/889673088.db2.gz NFRJZOZBZSMZQF-AWEZNQCLSA-N 1 1 412.349 4.133 20 30 HIEDMO O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000474819043 889673296 /nfs/dbraw/zinc/67/32/96/889673296.db2.gz NFRJZOZBZSMZQF-CQSZACIVSA-N 1 1 412.349 4.133 20 30 HIEDMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000474819043 889673304 /nfs/dbraw/zinc/67/33/04/889673304.db2.gz NFRJZOZBZSMZQF-CQSZACIVSA-N 1 1 412.349 4.133 20 30 HIEDMO Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000475318246 890236544 /nfs/dbraw/zinc/23/65/44/890236544.db2.gz PLBSYGJWXLZPQB-OAQYLSRUSA-N 1 1 418.541 4.446 20 30 HIEDMO N#CCCCOc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000475352524 890276818 /nfs/dbraw/zinc/27/68/18/890276818.db2.gz UWGLOEARORXIKG-QHCPKHFHSA-N 1 1 408.933 4.405 20 30 HIEDMO COc1cccc(C2=CC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000476282935 891201844 /nfs/dbraw/zinc/20/18/44/891201844.db2.gz AQMNEWXPUQIOAR-UHFFFAOYSA-N 1 1 403.526 4.348 20 30 HIEDMO COc1cccc(C2=CC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000476282935 891201862 /nfs/dbraw/zinc/20/18/62/891201862.db2.gz AQMNEWXPUQIOAR-UHFFFAOYSA-N 1 1 403.526 4.348 20 30 HIEDMO N#CC[C@@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428247 891340709 /nfs/dbraw/zinc/34/07/09/891340709.db2.gz NYEWVIRVMISBMY-XZOQPEGZSA-N 1 1 413.525 4.356 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 ZINC000476832665 891813274 /nfs/dbraw/zinc/81/32/74/891813274.db2.gz RZANLMZCQFPJLJ-JTSKRJEESA-N 1 1 424.520 4.470 20 30 HIEDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 ZINC000476998615 891926023 /nfs/dbraw/zinc/92/60/23/891926023.db2.gz XFSZYLWNZLPLJQ-CYBMUJFWSA-N 1 1 402.589 4.224 20 30 HIEDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 ZINC000476998615 891926039 /nfs/dbraw/zinc/92/60/39/891926039.db2.gz XFSZYLWNZLPLJQ-CYBMUJFWSA-N 1 1 402.589 4.224 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477074981 892010499 /nfs/dbraw/zinc/01/04/99/892010499.db2.gz FXEZHOWSBJAZRQ-OAQYLSRUSA-N 1 1 400.473 4.254 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000477253950 892206828 /nfs/dbraw/zinc/20/68/28/892206828.db2.gz UFGYTMXPORDGIU-SFHVURJKSA-N 1 1 402.539 4.193 20 30 HIEDMO C=C(C)[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477756004 892846960 /nfs/dbraw/zinc/84/69/60/892846960.db2.gz RPERXHHLRWRVRQ-QHCPKHFHSA-N 1 1 424.495 4.371 20 30 HIEDMO Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000477934898 893024444 /nfs/dbraw/zinc/02/44/44/893024444.db2.gz FXEJLIOLODKQJF-HXUWFJFHSA-N 1 1 408.550 4.090 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047406 893192235 /nfs/dbraw/zinc/19/22/35/893192235.db2.gz QJHLXKKPJRWJIN-IBGZPJMESA-N 1 1 414.619 4.217 20 30 HIEDMO O=C(Nc1ccccc1)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000479003858 894273339 /nfs/dbraw/zinc/27/33/39/894273339.db2.gz VUAMQHAPFSGVBP-UHFFFAOYSA-N 1 1 401.432 4.343 20 30 HIEDMO N#CC1(NC(=O)c2csc(-c3cccs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479212187 894475446 /nfs/dbraw/zinc/47/54/46/894475446.db2.gz GNIPJZUNAVVMOS-UHFFFAOYSA-N 1 1 408.552 4.160 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505203700 913882107 /nfs/dbraw/zinc/88/21/07/913882107.db2.gz KWMDDLCHWVYKEK-MRXNPFEDSA-N 1 1 402.564 4.037 20 30 HIEDMO N#CC1(NC(=O)c2csc(-c3ccccc3F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479338109 894631153 /nfs/dbraw/zinc/63/11/53/894631153.db2.gz DLNGSPMSNLGGPW-UHFFFAOYSA-N 1 1 420.513 4.237 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000479611080 894884313 /nfs/dbraw/zinc/88/43/13/894884313.db2.gz NURVGGFQZMQNTK-IBGZPJMESA-N 1 1 411.889 4.152 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000479611080 894884315 /nfs/dbraw/zinc/88/43/15/894884315.db2.gz NURVGGFQZMQNTK-IBGZPJMESA-N 1 1 411.889 4.152 20 30 HIEDMO CC[NH+](CC)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000479952994 895306847 /nfs/dbraw/zinc/30/68/47/895306847.db2.gz CDQXOSQTJIDFKM-XMMPIXPASA-N 1 1 401.558 4.001 20 30 HIEDMO Cc1ccc(N2CCC(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)[nH+]c1 ZINC000480021341 895371670 /nfs/dbraw/zinc/37/16/70/895371670.db2.gz VHMLHGMAPVFOEV-UHFFFAOYSA-N 1 1 400.530 4.268 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000480247461 895658897 /nfs/dbraw/zinc/65/88/97/895658897.db2.gz BCKHLRJIVJDYDI-JOCHJYFZSA-N 1 1 403.574 4.453 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Br)c1 ZINC000480732244 896093413 /nfs/dbraw/zinc/09/34/13/896093413.db2.gz LIZWQBAYCPEAER-QGZVFWFLSA-N 1 1 414.351 4.018 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(Br)c1 ZINC000481049362 896373109 /nfs/dbraw/zinc/37/31/09/896373109.db2.gz DXIMNSOKNPITMT-UHFFFAOYSA-N 1 1 422.330 4.485 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000481590898 896969953 /nfs/dbraw/zinc/96/99/53/896969953.db2.gz IERBJVSPOQEWOW-SZNDQCEHSA-N 1 1 406.448 4.366 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481593650 896971776 /nfs/dbraw/zinc/97/17/76/896971776.db2.gz PRVXRWUTFLDBBT-PKTZIBPZSA-N 1 1 400.469 4.448 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481602878 896983248 /nfs/dbraw/zinc/98/32/48/896983248.db2.gz ATYLXFSTLYNGPQ-HSZRJFAPSA-N 1 1 418.484 4.238 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481609793 896991624 /nfs/dbraw/zinc/99/16/24/896991624.db2.gz OOXYOWFJLWHRLX-HLFMIMNKSA-N 1 1 416.468 4.209 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1 ZINC000481610926 896993251 /nfs/dbraw/zinc/99/32/51/896993251.db2.gz CEGVILAHXVONBE-JOCHJYFZSA-N 1 1 415.484 4.292 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000481620285 897003158 /nfs/dbraw/zinc/00/31/58/897003158.db2.gz LBBXCCQUPMFSGU-NRFANRHFSA-N 1 1 422.397 4.358 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000481692236 897076842 /nfs/dbraw/zinc/07/68/42/897076842.db2.gz PTALSQCXFYWZJR-RUZDIDTESA-N 1 1 403.526 4.072 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000481692236 897076863 /nfs/dbraw/zinc/07/68/63/897076863.db2.gz PTALSQCXFYWZJR-RUZDIDTESA-N 1 1 403.526 4.072 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000481887708 897262229 /nfs/dbraw/zinc/26/22/29/897262229.db2.gz MABHXORXUZYREB-JTHBVZDNSA-N 1 1 405.567 4.429 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)ccc3OC(F)F)CC2)cc1 ZINC000482142978 897603724 /nfs/dbraw/zinc/60/37/24/897603724.db2.gz YSDWKCYJYSUQPT-UHFFFAOYSA-N 1 1 419.859 4.161 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)ccc3OC(F)F)CC2)cc1 ZINC000482142978 897603731 /nfs/dbraw/zinc/60/37/31/897603731.db2.gz YSDWKCYJYSUQPT-UHFFFAOYSA-N 1 1 419.859 4.161 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262455 897747139 /nfs/dbraw/zinc/74/71/39/897747139.db2.gz CKDOMNFFAFUTPY-IEXUWNMDSA-N 1 1 402.542 4.315 20 30 HIEDMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000482871380 898485060 /nfs/dbraw/zinc/48/50/60/898485060.db2.gz HPKPVVORJNNIAZ-UHFFFAOYSA-N 1 1 407.543 4.170 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 ZINC000482918828 898537214 /nfs/dbraw/zinc/53/72/14/898537214.db2.gz LTORAQJZFHNPGR-UHFFFAOYSA-N 1 1 413.481 4.408 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482930747 898551893 /nfs/dbraw/zinc/55/18/93/898551893.db2.gz UYAIUXJXLIGFRH-FYYLOGMGSA-N 1 1 418.541 4.475 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000482977667 898614006 /nfs/dbraw/zinc/61/40/06/898614006.db2.gz GJNGRCRXXOJPDX-MRXNPFEDSA-N 1 1 415.335 4.058 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCc2ccccn2)cc1 ZINC000483071947 898754503 /nfs/dbraw/zinc/75/45/03/898754503.db2.gz VAODYRAPELQPLU-UHFFFAOYSA-N 1 1 414.509 4.035 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476647 899122486 /nfs/dbraw/zinc/12/24/86/899122486.db2.gz ALDFLKGPGRICJW-GOTSBHOMSA-N 1 1 413.525 4.095 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000483509662 899171369 /nfs/dbraw/zinc/17/13/69/899171369.db2.gz YDYLGEMKPDQCHM-UHFFFAOYSA-N 1 1 409.349 4.188 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000483509662 899171389 /nfs/dbraw/zinc/17/13/89/899171389.db2.gz YDYLGEMKPDQCHM-UHFFFAOYSA-N 1 1 409.349 4.188 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000505620611 914322593 /nfs/dbraw/zinc/32/25/93/914322593.db2.gz KRIMBCYFGSZDQS-WIYYLYMNSA-N 1 1 411.571 4.005 20 30 HIEDMO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000484356783 899904959 /nfs/dbraw/zinc/90/49/59/899904959.db2.gz VLCKZVPGKBIWKN-MRXNPFEDSA-N 1 1 420.397 4.084 20 30 HIEDMO CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000484356783 899904967 /nfs/dbraw/zinc/90/49/67/899904967.db2.gz VLCKZVPGKBIWKN-MRXNPFEDSA-N 1 1 420.397 4.084 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484632114 900081989 /nfs/dbraw/zinc/08/19/89/900081989.db2.gz XIIBDYVMURCOSL-UHFFFAOYSA-N 1 1 410.396 4.036 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000484719473 900150368 /nfs/dbraw/zinc/15/03/68/900150368.db2.gz NKKWSNUJWMLORB-REWPJTCUSA-N 1 1 409.578 4.387 20 30 HIEDMO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485144988 900446271 /nfs/dbraw/zinc/44/62/71/900446271.db2.gz JSHIYOXCEGKLOA-UGKGYDQZSA-N 1 1 422.598 4.001 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505788637 914453527 /nfs/dbraw/zinc/45/35/27/914453527.db2.gz BYXPVBPGWBNGLX-AVRWGWEMSA-N 1 1 421.541 4.226 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337789 900626473 /nfs/dbraw/zinc/62/64/73/900626473.db2.gz PHHAGWIDNIPDOR-UNMCSNQZSA-N 1 1 422.598 4.162 20 30 HIEDMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632546 /nfs/dbraw/zinc/63/25/46/900632546.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 1 1 405.542 4.062 20 30 HIEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000485409139 900706814 /nfs/dbraw/zinc/70/68/14/900706814.db2.gz RHWVLEKIKOTCLN-SFHVURJKSA-N 1 1 408.502 4.165 20 30 HIEDMO C=CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000485459618 900754267 /nfs/dbraw/zinc/75/42/67/900754267.db2.gz ACHWCCOJXGLQBU-UHFFFAOYSA-N 1 1 409.599 4.032 20 30 HIEDMO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768256 901024532 /nfs/dbraw/zinc/02/45/32/901024532.db2.gz DHKGYVWIINBRGR-MRXNPFEDSA-N 1 1 404.333 4.010 20 30 HIEDMO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768256 901024539 /nfs/dbraw/zinc/02/45/39/901024539.db2.gz DHKGYVWIINBRGR-MRXNPFEDSA-N 1 1 404.333 4.010 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000485801637 901052466 /nfs/dbraw/zinc/05/24/66/901052466.db2.gz PVVYAAWMZGNOCN-QFIPXVFZSA-N 1 1 421.928 4.302 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000505868581 914516062 /nfs/dbraw/zinc/51/60/62/914516062.db2.gz PBPOTDSQKOMAGI-QHCPKHFHSA-N 1 1 400.457 4.073 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000505868581 914516077 /nfs/dbraw/zinc/51/60/77/914516077.db2.gz PBPOTDSQKOMAGI-QHCPKHFHSA-N 1 1 400.457 4.073 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000486022290 901228406 /nfs/dbraw/zinc/22/84/06/901228406.db2.gz BOXQOLZOABIIOY-BTYIYWSLSA-N 1 1 409.896 4.423 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000505903255 914543988 /nfs/dbraw/zinc/54/39/88/914543988.db2.gz OGYJRBXLIUFWOT-XFFZJAGNSA-N 1 1 411.553 4.295 20 30 HIEDMO N#CCCn1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000505903255 914544005 /nfs/dbraw/zinc/54/40/05/914544005.db2.gz OGYJRBXLIUFWOT-XFFZJAGNSA-N 1 1 411.553 4.295 20 30 HIEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1 ZINC000486886871 901932840 /nfs/dbraw/zinc/93/28/40/901932840.db2.gz YTGVVRJRDJERKT-NRFANRHFSA-N 1 1 405.885 4.362 20 30 HIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000487381740 902172415 /nfs/dbraw/zinc/17/24/15/902172415.db2.gz UMZHHSAXNOXUKA-QGZVFWFLSA-N 1 1 406.448 4.378 20 30 HIEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C(C)(C)C#N)C(C)C)cc1 ZINC000487384681 902174476 /nfs/dbraw/zinc/17/44/76/902174476.db2.gz AJWIMYYEEVSYHE-JOCHJYFZSA-N 1 1 423.557 4.096 20 30 HIEDMO Cc1cc(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1C#N ZINC000487920979 902454162 /nfs/dbraw/zinc/45/41/62/902454162.db2.gz RTDSMEJLHLUWEU-UHFFFAOYSA-N 1 1 405.523 4.300 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982192 914646022 /nfs/dbraw/zinc/64/60/22/914646022.db2.gz QHMCSLIUNWJKHG-ICSRJNTNSA-N 1 1 401.432 4.298 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296930 902759108 /nfs/dbraw/zinc/75/91/08/902759108.db2.gz KBWVAHGPSWDROJ-GOSISDBHSA-N 1 1 420.513 4.068 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000488614954 902900689 /nfs/dbraw/zinc/90/06/89/902900689.db2.gz SSVZYHCGOCUBPF-FGZHOGPDSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000488614954 902900704 /nfs/dbraw/zinc/90/07/04/902900704.db2.gz SSVZYHCGOCUBPF-FGZHOGPDSA-N 1 1 412.484 4.202 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397606 903365095 /nfs/dbraw/zinc/36/50/95/903365095.db2.gz RVAGLWOXPQDGFO-CVDCTZTESA-N 1 1 422.598 4.001 20 30 HIEDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000489571523 903471300 /nfs/dbraw/zinc/47/13/00/903471300.db2.gz FQSBDVMQYGAXKF-UHFFFAOYSA-N 1 1 406.530 4.394 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489605485 903494254 /nfs/dbraw/zinc/49/42/54/903494254.db2.gz PBKDBXWICXLBJW-UHFFFAOYSA-N 1 1 422.891 4.429 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489605485 903494260 /nfs/dbraw/zinc/49/42/60/903494260.db2.gz PBKDBXWICXLBJW-UHFFFAOYSA-N 1 1 422.891 4.429 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000490326694 903910925 /nfs/dbraw/zinc/91/09/25/903910925.db2.gz JLLXXXBQOYDBHF-ICSRJNTNSA-N 1 1 405.395 4.068 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000490326694 903910948 /nfs/dbraw/zinc/91/09/48/903910948.db2.gz JLLXXXBQOYDBHF-ICSRJNTNSA-N 1 1 405.395 4.068 20 30 HIEDMO Cn1cc(C[N@@H+]2CCc3cccc(Br)c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490358799 903951055 /nfs/dbraw/zinc/95/10/55/903951055.db2.gz AVNPZJSXPKXQFZ-UHFFFAOYSA-N 1 1 407.315 4.280 20 30 HIEDMO Cn1cc(C[N@H+]2CCc3cccc(Br)c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490358799 903951060 /nfs/dbraw/zinc/95/10/60/903951060.db2.gz AVNPZJSXPKXQFZ-UHFFFAOYSA-N 1 1 407.315 4.280 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490368672 903961171 /nfs/dbraw/zinc/96/11/71/903961171.db2.gz MSJIEJIGAOBFGU-GHTZIAJQSA-N 1 1 406.530 4.378 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000490437668 904010884 /nfs/dbraw/zinc/01/08/84/904010884.db2.gz UXHJJRFQKCBSJY-RTBURBONSA-N 1 1 415.541 4.180 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000490437665 904010944 /nfs/dbraw/zinc/01/09/44/904010944.db2.gz UXHJJRFQKCBSJY-KDURUIRLSA-N 1 1 415.541 4.180 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000490437665 904010964 /nfs/dbraw/zinc/01/09/64/904010964.db2.gz UXHJJRFQKCBSJY-KDURUIRLSA-N 1 1 415.541 4.180 20 30 HIEDMO Cn1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570255 904108508 /nfs/dbraw/zinc/10/85/08/904108508.db2.gz PVCIRUAOKKTWLD-XMMPIXPASA-N 1 1 400.526 4.182 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000491073745 904410984 /nfs/dbraw/zinc/41/09/84/904410984.db2.gz AHTGQXNEMVGHHP-UHFFFAOYSA-N 1 1 400.404 4.489 20 30 HIEDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC(F)F ZINC000491131815 904445908 /nfs/dbraw/zinc/44/59/08/904445908.db2.gz DGWNUCOPZHOUHE-UHFFFAOYSA-N 1 1 412.440 4.201 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000491525555 904635872 /nfs/dbraw/zinc/63/58/72/904635872.db2.gz PEHLWVFDJNIDNF-NRFANRHFSA-N 1 1 406.530 4.032 20 30 HIEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000492693632 904889116 /nfs/dbraw/zinc/88/91/16/904889116.db2.gz XXAJBGPELCLZJM-LJQANCHMSA-N 1 1 405.542 4.406 20 30 HIEDMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492785792 904905681 /nfs/dbraw/zinc/90/56/81/904905681.db2.gz VMRBHHOGSHKYHX-INIZCTEOSA-N 1 1 410.587 4.067 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn2ccccc12 ZINC000493816824 905226697 /nfs/dbraw/zinc/22/66/97/905226697.db2.gz JDRJBYXRSIYGKZ-HNNXBMFYSA-N 1 1 424.430 4.252 20 30 HIEDMO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccc1OC(F)F ZINC000512473599 921184003 /nfs/dbraw/zinc/18/40/03/921184003.db2.gz FBJWRTHATAEGII-UHFFFAOYSA-N 1 1 424.451 4.039 20 30 HIEDMO CCc1c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000494879956 906058469 /nfs/dbraw/zinc/05/84/69/906058469.db2.gz CBJJUPNUPYXXJH-UHFFFAOYSA-N 1 1 422.577 4.103 20 30 HIEDMO CCc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000494879956 906058485 /nfs/dbraw/zinc/05/84/85/906058485.db2.gz CBJJUPNUPYXXJH-UHFFFAOYSA-N 1 1 422.577 4.103 20 30 HIEDMO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495373213 906410750 /nfs/dbraw/zinc/41/07/50/906410750.db2.gz DIOYCCWFJPGIAD-OFVILXPXSA-N 1 1 402.586 4.023 20 30 HIEDMO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495373212 906410991 /nfs/dbraw/zinc/41/09/91/906410991.db2.gz DIOYCCWFJPGIAD-BWKNWUBXSA-N 1 1 402.586 4.023 20 30 HIEDMO COc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512586471 921250146 /nfs/dbraw/zinc/25/01/46/921250146.db2.gz JNDZMULQDZICGA-UHFFFAOYSA-N 1 1 415.440 4.019 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000497615535 907093595 /nfs/dbraw/zinc/09/35/95/907093595.db2.gz QNFKZPLBCOCADK-NVQXNPDNSA-N 1 1 418.537 4.070 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000497615535 907093624 /nfs/dbraw/zinc/09/36/24/907093624.db2.gz QNFKZPLBCOCADK-NVQXNPDNSA-N 1 1 418.537 4.070 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000512791705 921312121 /nfs/dbraw/zinc/31/21/21/921312121.db2.gz DHGORADLIVNHQY-LVXARBLLSA-N 1 1 409.489 4.208 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000512791705 921312124 /nfs/dbraw/zinc/31/21/24/921312124.db2.gz DHGORADLIVNHQY-LVXARBLLSA-N 1 1 409.489 4.208 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)c(F)c1 ZINC000512817289 921320937 /nfs/dbraw/zinc/32/09/37/921320937.db2.gz LHRGEMIVBDJMTK-XMMPIXPASA-N 1 1 421.516 4.294 20 30 HIEDMO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H]1CCCc2ccccc21 ZINC000512825992 921328981 /nfs/dbraw/zinc/32/89/81/921328981.db2.gz BAISDDGPHIOEDT-QHCPKHFHSA-N 1 1 421.516 4.077 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498708460 908134761 /nfs/dbraw/zinc/13/47/61/908134761.db2.gz UYRFIUDNBMGVBE-HYBUGGRVSA-N 1 1 404.558 4.389 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499109040 908468760 /nfs/dbraw/zinc/46/87/60/908468760.db2.gz DBHAZTHBRWZCPE-QPPBQGQZSA-N 1 1 423.605 4.462 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000499208217 908563861 /nfs/dbraw/zinc/56/38/61/908563861.db2.gz OLABSYQLJHSOAX-UHFFFAOYSA-N 1 1 419.550 4.463 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000513049146 921507132 /nfs/dbraw/zinc/50/71/32/921507132.db2.gz OHWXEKUKHXQTIX-UHFFFAOYSA-N 1 1 401.432 4.280 20 30 HIEDMO N#CCCCOc1cccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000500469205 909876327 /nfs/dbraw/zinc/87/63/27/909876327.db2.gz KNQCJVXUCBGHOL-SFHVURJKSA-N 1 1 405.267 4.494 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000501401796 910531426 /nfs/dbraw/zinc/53/14/26/910531426.db2.gz XJQNEWZNGKDVEA-DEOSSOPVSA-N 1 1 404.558 4.317 20 30 HIEDMO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959778 910944967 /nfs/dbraw/zinc/94/49/67/910944967.db2.gz IJUKSLHTMZXARV-REWPJTCUSA-N 1 1 421.589 4.030 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000502171147 911092950 /nfs/dbraw/zinc/09/29/50/911092950.db2.gz GTMMNXLKWGOXIF-UHFFFAOYSA-N 1 1 421.888 4.112 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190256 911128415 /nfs/dbraw/zinc/12/84/15/911128415.db2.gz UKFFEVBXILHGBA-CPJSRVTESA-N 1 1 414.553 4.268 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000502204547 911148648 /nfs/dbraw/zinc/14/86/48/911148648.db2.gz HXWYHVJZYJSTGR-UHFFFAOYSA-N 1 1 404.445 4.203 20 30 HIEDMO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507450 911511839 /nfs/dbraw/zinc/51/18/39/911511839.db2.gz OEFJWEZYFJQDEO-CRTIWDKESA-N 1 1 404.510 4.129 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742853 911767327 /nfs/dbraw/zinc/76/73/27/911767327.db2.gz AYEOZDHRRZIRAX-NFBKMPQASA-N 1 1 420.488 4.054 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742853 911767340 /nfs/dbraw/zinc/76/73/40/911767340.db2.gz AYEOZDHRRZIRAX-NFBKMPQASA-N 1 1 420.488 4.054 20 30 HIEDMO CC(=O)NCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1Cl ZINC000502877674 911878000 /nfs/dbraw/zinc/87/80/00/911878000.db2.gz RSLKMBAQCKEPOJ-UHFFFAOYSA-N 1 1 412.361 4.032 20 30 HIEDMO CC(=O)NCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1Cl ZINC000502877674 911878005 /nfs/dbraw/zinc/87/80/05/911878005.db2.gz RSLKMBAQCKEPOJ-UHFFFAOYSA-N 1 1 412.361 4.032 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000513317851 921709462 /nfs/dbraw/zinc/70/94/62/921709462.db2.gz PJXXPRCBDJEJTE-UHFFFAOYSA-N 1 1 417.484 4.270 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000513317851 921709473 /nfs/dbraw/zinc/70/94/73/921709473.db2.gz PJXXPRCBDJEJTE-UHFFFAOYSA-N 1 1 417.484 4.270 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000506467950 915065084 /nfs/dbraw/zinc/06/50/84/915065084.db2.gz VBKJHHMGLIGIGV-GOSISDBHSA-N 1 1 405.517 4.277 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475117 915074137 /nfs/dbraw/zinc/07/41/37/915074137.db2.gz SKIQGNDBFGQHFO-HKBOAZHASA-N 1 1 414.569 4.047 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562835 915210296 /nfs/dbraw/zinc/21/02/96/915210296.db2.gz QAVPEHWXQZXLAP-GJZGRUSLSA-N 1 1 414.600 4.409 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000513406205 921775460 /nfs/dbraw/zinc/77/54/60/921775460.db2.gz OEIXTVQPUUDUFC-MBSDFSHPSA-N 1 1 407.533 4.486 20 30 HIEDMO N#CCCCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507172267 915914520 /nfs/dbraw/zinc/91/45/20/915914520.db2.gz AFSPRCUFCFMTQV-NRFANRHFSA-N 1 1 413.468 4.465 20 30 HIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000507177824 915923529 /nfs/dbraw/zinc/92/35/29/915923529.db2.gz HBKXNUJMKHDAAH-UHFFFAOYSA-N 1 1 408.889 4.370 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000507177824 915923540 /nfs/dbraw/zinc/92/35/40/915923540.db2.gz HBKXNUJMKHDAAH-UHFFFAOYSA-N 1 1 408.889 4.370 20 30 HIEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccccc1SCC#N ZINC000507183316 915931099 /nfs/dbraw/zinc/93/10/99/915931099.db2.gz XTILPUJATYKGHB-UHFFFAOYSA-N 1 1 420.538 4.460 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccccc1SCC#N ZINC000507183316 915931111 /nfs/dbraw/zinc/93/11/11/915931111.db2.gz XTILPUJATYKGHB-UHFFFAOYSA-N 1 1 420.538 4.460 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000507698923 916479521 /nfs/dbraw/zinc/47/95/21/916479521.db2.gz BCDZTNKSALPAGY-QFIPXVFZSA-N 1 1 411.933 4.268 20 30 HIEDMO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000507698923 916479538 /nfs/dbraw/zinc/47/95/38/916479538.db2.gz BCDZTNKSALPAGY-QFIPXVFZSA-N 1 1 411.933 4.268 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1SC ZINC000507699261 916479560 /nfs/dbraw/zinc/47/95/60/916479560.db2.gz SHBGZWMGKPXZLD-MRXNPFEDSA-N 1 1 415.534 4.323 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1SC ZINC000507699261 916479571 /nfs/dbraw/zinc/47/95/71/916479571.db2.gz SHBGZWMGKPXZLD-MRXNPFEDSA-N 1 1 415.534 4.323 20 30 HIEDMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802557 916588793 /nfs/dbraw/zinc/58/87/93/916588793.db2.gz CHANKZSQMDEMHS-QHCPKHFHSA-N 1 1 421.541 4.068 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508472829 917257193 /nfs/dbraw/zinc/25/71/93/917257193.db2.gz LHOFAZQJPDBTDI-UHFFFAOYSA-N 1 1 421.614 4.465 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508476355 917260190 /nfs/dbraw/zinc/26/01/90/917260190.db2.gz CNVQXQIDEHSUHP-PKTZIBPZSA-N 1 1 414.557 4.017 20 30 HIEDMO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719643 917481396 /nfs/dbraw/zinc/48/13/96/917481396.db2.gz LGNJJGDOKKDGQC-OVAXGASASA-N 1 1 404.558 4.143 20 30 HIEDMO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508746163 917503458 /nfs/dbraw/zinc/50/34/58/917503458.db2.gz JYBCYJYFVLVZQA-LEWJYISDSA-N 1 1 411.594 4.389 20 30 HIEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508873376 917626972 /nfs/dbraw/zinc/62/69/72/917626972.db2.gz MRDKZEUNWNFMMW-WIYYLYMNSA-N 1 1 411.981 4.161 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508904148 917658792 /nfs/dbraw/zinc/65/87/92/917658792.db2.gz RUDCUHPAAHFHCV-UHFFFAOYSA-N 1 1 418.589 4.341 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508932809 917691745 /nfs/dbraw/zinc/69/17/45/917691745.db2.gz VPVVUKPUSYDFOV-LJQANCHMSA-N 1 1 423.586 4.030 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508945299 917702246 /nfs/dbraw/zinc/70/22/46/917702246.db2.gz KDCDUVYCSURZOW-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO CC[N@@H+](Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C[C@@H](C)C#N ZINC000509786405 918393899 /nfs/dbraw/zinc/39/38/99/918393899.db2.gz LJSKVTVUIYNGSS-INIZCTEOSA-N 1 1 415.921 4.348 20 30 HIEDMO CC[N@H+](Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C[C@@H](C)C#N ZINC000509786405 918393912 /nfs/dbraw/zinc/39/39/12/918393912.db2.gz LJSKVTVUIYNGSS-INIZCTEOSA-N 1 1 415.921 4.348 20 30 HIEDMO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1C(C)C ZINC000510156770 918709860 /nfs/dbraw/zinc/70/98/60/918709860.db2.gz QCPNLBMAPFZEFS-UHFFFAOYSA-N 1 1 421.541 4.047 20 30 HIEDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1C(C)C ZINC000510156770 918709864 /nfs/dbraw/zinc/70/98/64/918709864.db2.gz QCPNLBMAPFZEFS-UHFFFAOYSA-N 1 1 421.541 4.047 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510195813 918744518 /nfs/dbraw/zinc/74/45/18/918744518.db2.gz VRKYHIFCLJESQO-WMZHIEFXSA-N 1 1 407.583 4.208 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510415512 918884013 /nfs/dbraw/zinc/88/40/13/918884013.db2.gz MGKFURXYGITVCH-MJGOQNOKSA-N 1 1 419.554 4.174 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510415512 918884019 /nfs/dbraw/zinc/88/40/19/918884019.db2.gz MGKFURXYGITVCH-MJGOQNOKSA-N 1 1 419.554 4.174 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](n3ncc4ccccc43)C1)CCCC2 ZINC000510418781 918886304 /nfs/dbraw/zinc/88/63/04/918886304.db2.gz ZLQSKKDJFRCINJ-QGZVFWFLSA-N 1 1 419.554 4.124 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000511074419 919674894 /nfs/dbraw/zinc/67/48/94/919674894.db2.gz UOIOGLJAOGOVTA-UHFFFAOYSA-N 1 1 401.432 4.105 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511075468 919677881 /nfs/dbraw/zinc/67/78/81/919677881.db2.gz ZADASCARQKKEOY-QGZVFWFLSA-N 1 1 410.587 4.381 20 30 HIEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000511254961 919857136 /nfs/dbraw/zinc/85/71/36/919857136.db2.gz SVDKQTIZCGYNTK-SFHVURJKSA-N 1 1 406.505 4.060 20 30 HIEDMO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCCC[C@H]1C ZINC000511471616 920080416 /nfs/dbraw/zinc/08/04/16/920080416.db2.gz BFUQQDVHAOWSLN-MSOLQXFVSA-N 1 1 419.529 4.195 20 30 HIEDMO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCCC[C@@H]1C ZINC000511471626 920080980 /nfs/dbraw/zinc/08/09/80/920080980.db2.gz BFUQQDVHAOWSLN-ROUUACIJSA-N 1 1 419.529 4.195 20 30 HIEDMO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511710618 920375088 /nfs/dbraw/zinc/37/50/88/920375088.db2.gz UROKOUMQAJXVDZ-GGAORHGYSA-N 1 1 411.496 4.175 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000511761913 920444901 /nfs/dbraw/zinc/44/49/01/920444901.db2.gz JYQFLOGNZHRJJI-NOTZXAQLSA-N 1 1 403.501 4.041 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1Cl ZINC000511781453 920472251 /nfs/dbraw/zinc/47/22/51/920472251.db2.gz NZUFHPMXQPTYCC-KCZVDYSFSA-N 1 1 409.917 4.045 20 30 HIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000512181394 920923400 /nfs/dbraw/zinc/92/34/00/920923400.db2.gz BLGRTUBNFOKGSB-IBGZPJMESA-N 1 1 404.510 4.319 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000513866174 922194295 /nfs/dbraw/zinc/19/42/95/922194295.db2.gz ORLFAANAKULODN-JOCHJYFZSA-N 1 1 408.521 4.141 20 30 HIEDMO N#Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000513922469 922246270 /nfs/dbraw/zinc/24/62/70/922246270.db2.gz RGEBIAZYHPSATO-RBBKRZOGSA-N 1 1 416.912 4.005 20 30 HIEDMO N#C[C@@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513977925 922298347 /nfs/dbraw/zinc/29/83/47/922298347.db2.gz BNZJJEKTNCWSOE-OIGRYNLFSA-N 1 1 422.326 4.198 20 30 HIEDMO N#C[C@@H]1C[N@H+](CC/C=C\c2ccc(Br)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513977925 922298362 /nfs/dbraw/zinc/29/83/62/922298362.db2.gz BNZJJEKTNCWSOE-OIGRYNLFSA-N 1 1 422.326 4.198 20 30 HIEDMO CC1=CC[N@@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000515023419 922883259 /nfs/dbraw/zinc/88/32/59/922883259.db2.gz DKSDHNWNASOVDZ-UHFFFAOYSA-N 1 1 404.514 4.105 20 30 HIEDMO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000515925204 923439678 /nfs/dbraw/zinc/43/96/78/923439678.db2.gz VIXLEKFXMOERFV-UHFFFAOYSA-N 1 1 420.538 4.411 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000516057299 923523317 /nfs/dbraw/zinc/52/33/17/923523317.db2.gz DWJCVBDCMLTNPC-UHFFFAOYSA-N 1 1 416.525 4.208 20 30 HIEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516543991 923789577 /nfs/dbraw/zinc/78/95/77/923789577.db2.gz PQMRWNSMLGXILA-IBGZPJMESA-N 1 1 405.542 4.406 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000516879481 923920747 /nfs/dbraw/zinc/92/07/47/923920747.db2.gz AZNBGDHOILLYBL-OAHLLOKOSA-N 1 1 411.502 4.025 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000516879481 923920758 /nfs/dbraw/zinc/92/07/58/923920758.db2.gz AZNBGDHOILLYBL-OAHLLOKOSA-N 1 1 411.502 4.025 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202670 924050512 /nfs/dbraw/zinc/05/05/12/924050512.db2.gz RORIYYZWEMHTDP-QPPBQGQZSA-N 1 1 416.481 4.113 20 30 HIEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761649 926825089 /nfs/dbraw/zinc/82/50/89/926825089.db2.gz NCWOKEYCDFGBRK-AQNXPRMDSA-N 1 1 403.615 4.083 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000518255957 927114340 /nfs/dbraw/zinc/11/43/40/927114340.db2.gz KVYKNQCJATVLRR-IBGZPJMESA-N 1 1 408.571 4.473 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000518255958 927114738 /nfs/dbraw/zinc/11/47/38/927114738.db2.gz KVYKNQCJATVLRR-LJQANCHMSA-N 1 1 408.571 4.473 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000518754652 927477924 /nfs/dbraw/zinc/47/79/24/927477924.db2.gz VFYDBQAHDQXTCQ-SFHVURJKSA-N 1 1 424.570 4.235 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520195846 928381357 /nfs/dbraw/zinc/38/13/57/928381357.db2.gz OCRQDVOUKCKSNS-IBGZPJMESA-N 1 1 423.586 4.025 20 30 HIEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000520224904 928398945 /nfs/dbraw/zinc/39/89/45/928398945.db2.gz GVQYFPUWDIGHLT-KRWDZBQOSA-N 1 1 404.539 4.422 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000520366622 928522827 /nfs/dbraw/zinc/52/28/27/928522827.db2.gz WRYBOEZFJGQVBP-XPPIMPSXSA-N 1 1 403.526 4.029 20 30 HIEDMO CC(C)C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000520603327 928668427 /nfs/dbraw/zinc/66/84/27/928668427.db2.gz DHCNOIVWEAZIIJ-NRFANRHFSA-N 1 1 422.529 4.219 20 30 HIEDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000520606461 928670436 /nfs/dbraw/zinc/67/04/36/928670436.db2.gz FWYNHVBLAMFAEU-LJQANCHMSA-N 1 1 417.553 4.158 20 30 HIEDMO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000520920395 928875457 /nfs/dbraw/zinc/87/54/57/928875457.db2.gz SMGXAWIFUMNPQM-UHFFFAOYSA-N 1 1 418.324 4.025 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000521196425 929056503 /nfs/dbraw/zinc/05/65/03/929056503.db2.gz GMPVJYTXBZMDMQ-INIZCTEOSA-N 1 1 414.347 4.409 20 30 HIEDMO N#CCCCOc1cccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000521828479 929481958 /nfs/dbraw/zinc/48/19/58/929481958.db2.gz GFYMNHIKOQUQRD-UHFFFAOYSA-N 1 1 423.826 4.374 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C1CC1 ZINC000524665912 929780772 /nfs/dbraw/zinc/78/07/72/929780772.db2.gz HYOIRQDTRHNCDE-FQEVSTJZSA-N 1 1 409.452 4.138 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C1CC1 ZINC000524665912 929780776 /nfs/dbraw/zinc/78/07/76/929780776.db2.gz HYOIRQDTRHNCDE-FQEVSTJZSA-N 1 1 409.452 4.138 20 30 HIEDMO C[C@H](Cc1cccs1)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000526135722 930541629 /nfs/dbraw/zinc/54/16/29/930541629.db2.gz GSZDCGQMPMTPLX-MRXNPFEDSA-N 1 1 401.963 4.397 20 30 HIEDMO N#Cc1ccccc1C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000530701373 930801564 /nfs/dbraw/zinc/80/15/64/930801564.db2.gz XZHOPWIDSLDUMZ-UHFFFAOYSA-N 1 1 418.278 4.206 20 30 HIEDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532410214 931425568 /nfs/dbraw/zinc/42/55/68/931425568.db2.gz VLXILUAFOKTQEP-KRWDZBQOSA-N 1 1 411.933 4.274 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000532486483 931457209 /nfs/dbraw/zinc/45/72/09/931457209.db2.gz FTPLESGIINKSNT-QGZVFWFLSA-N 1 1 405.477 4.213 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000532486483 931457214 /nfs/dbraw/zinc/45/72/14/931457214.db2.gz FTPLESGIINKSNT-QGZVFWFLSA-N 1 1 405.477 4.213 20 30 HIEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000532492830 931460052 /nfs/dbraw/zinc/46/00/52/931460052.db2.gz MMPXWYSVBDOJPP-HXUWFJFHSA-N 1 1 401.510 4.453 20 30 HIEDMO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2C)cc1OCCCC#N ZINC000532742695 931619473 /nfs/dbraw/zinc/61/94/73/931619473.db2.gz LLAFQWLKNOVFBZ-UHFFFAOYSA-N 1 1 409.530 4.131 20 30 HIEDMO CC[N@H+](CCOc1ccc(C#N)cc1OC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000532767502 931626860 /nfs/dbraw/zinc/62/68/60/931626860.db2.gz FZZZVGRPFYZCJT-UHFFFAOYSA-N 1 1 422.312 4.213 20 30 HIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000532767502 931626861 /nfs/dbraw/zinc/62/68/61/931626861.db2.gz FZZZVGRPFYZCJT-UHFFFAOYSA-N 1 1 422.312 4.213 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CCc2nccs2)C(C)C)ccc1Cl ZINC000532817784 931638706 /nfs/dbraw/zinc/63/87/06/931638706.db2.gz LYNQBOOSUGSZNC-UHFFFAOYSA-N 1 1 404.967 4.305 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCc2nccs2)C(C)C)ccc1Cl ZINC000532817784 931638709 /nfs/dbraw/zinc/63/87/09/931638709.db2.gz LYNQBOOSUGSZNC-UHFFFAOYSA-N 1 1 404.967 4.305 20 30 HIEDMO CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532951112 931708278 /nfs/dbraw/zinc/70/82/78/931708278.db2.gz SYKAHFSDHPCQBB-GOSISDBHSA-N 1 1 402.608 4.072 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 ZINC000532961137 931716327 /nfs/dbraw/zinc/71/63/27/931716327.db2.gz CDIVXOACXRXQJC-KRWDZBQOSA-N 1 1 416.344 4.428 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 ZINC000532961137 931716339 /nfs/dbraw/zinc/71/63/39/931716339.db2.gz CDIVXOACXRXQJC-KRWDZBQOSA-N 1 1 416.344 4.428 20 30 HIEDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000533037786 931748294 /nfs/dbraw/zinc/74/82/94/931748294.db2.gz AKIVHVGHENPRLS-UHFFFAOYSA-N 1 1 422.485 4.104 20 30 HIEDMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533281574 931826541 /nfs/dbraw/zinc/82/65/41/931826541.db2.gz VUUCDJTXTLFRBJ-HXUWFJFHSA-N 1 1 400.567 4.311 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533281574 931826544 /nfs/dbraw/zinc/82/65/44/931826544.db2.gz VUUCDJTXTLFRBJ-HXUWFJFHSA-N 1 1 400.567 4.311 20 30 HIEDMO N#Cc1c(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cn2ccccc12 ZINC000533394645 931856807 /nfs/dbraw/zinc/85/68/07/931856807.db2.gz LESWEBVKWXBVAW-UHFFFAOYSA-N 1 1 412.537 4.214 20 30 HIEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000533419013 931862326 /nfs/dbraw/zinc/86/23/26/931862326.db2.gz UTXUQXAVLYQLGO-KRWDZBQOSA-N 1 1 416.344 4.428 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000533419013 931862328 /nfs/dbraw/zinc/86/23/28/931862328.db2.gz UTXUQXAVLYQLGO-KRWDZBQOSA-N 1 1 416.344 4.428 20 30 HIEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000533428803 931865657 /nfs/dbraw/zinc/86/56/57/931865657.db2.gz DFHPUWKSZMRBDY-HXUWFJFHSA-N 1 1 418.324 4.182 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754269 932731705 /nfs/dbraw/zinc/73/17/05/932731705.db2.gz DJKDIOGVYFPIGO-LOSJGSFVSA-N 1 1 411.505 4.312 20 30 HIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000534905718 932832599 /nfs/dbraw/zinc/83/25/99/932832599.db2.gz ZINHXKQXZAILNY-MRXNPFEDSA-N 1 1 411.571 4.256 20 30 HIEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc(OC)c1O ZINC000535822663 933417016 /nfs/dbraw/zinc/41/70/16/933417016.db2.gz OFTSKYYINIAXIQ-HXUWFJFHSA-N 1 1 420.509 4.270 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc(OC)c1O ZINC000535822663 933417023 /nfs/dbraw/zinc/41/70/23/933417023.db2.gz OFTSKYYINIAXIQ-HXUWFJFHSA-N 1 1 420.509 4.270 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537631469 938341282 /nfs/dbraw/zinc/34/12/82/938341282.db2.gz OCCHZDUKVSYNTB-OAHLLOKOSA-N 1 1 413.909 4.082 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537631469 938341284 /nfs/dbraw/zinc/34/12/84/938341284.db2.gz OCCHZDUKVSYNTB-OAHLLOKOSA-N 1 1 413.909 4.082 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731706 938695199 /nfs/dbraw/zinc/69/51/99/938695199.db2.gz HHODLHRUNGWQOX-SFHVURJKSA-N 1 1 407.518 4.207 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OCC ZINC000538751807 938701975 /nfs/dbraw/zinc/70/19/75/938701975.db2.gz OUGLWVFAUMJPLU-IRXDYDNUSA-N 1 1 410.352 4.271 20 30 HIEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC000538957552 938749292 /nfs/dbraw/zinc/74/92/92/938749292.db2.gz JDKJGQKBFDABQL-UHFFFAOYSA-N 1 1 409.433 4.031 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000539211069 938819615 /nfs/dbraw/zinc/81/96/15/938819615.db2.gz NKEUZZDXZDWOJI-UHFFFAOYSA-N 1 1 416.550 4.144 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000539211069 938819617 /nfs/dbraw/zinc/81/96/17/938819617.db2.gz NKEUZZDXZDWOJI-UHFFFAOYSA-N 1 1 416.550 4.144 20 30 HIEDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000539278783 938832596 /nfs/dbraw/zinc/83/25/96/938832596.db2.gz HDWOIAIHJLWFOB-GXTWGEPZSA-N 1 1 400.338 4.210 20 30 HIEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OCc1ccccc1 ZINC000539325046 938841776 /nfs/dbraw/zinc/84/17/76/938841776.db2.gz KGQDZJORGODSFZ-LJQANCHMSA-N 1 1 420.534 4.262 20 30 HIEDMO C=CCC[C@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000539329161 938842689 /nfs/dbraw/zinc/84/26/89/938842689.db2.gz AACLLQAJVDIJCM-HNNXBMFYSA-N 1 1 408.449 4.275 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000539422891 938858428 /nfs/dbraw/zinc/85/84/28/938858428.db2.gz FVYFTADNTMXHNN-GOSISDBHSA-N 1 1 411.571 4.292 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539494739 938868479 /nfs/dbraw/zinc/86/84/79/938868479.db2.gz OEOUFZXOSGJNDK-BXKMTCNYSA-N 1 1 420.534 4.411 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(C(F)(F)F)c1 ZINC000563576346 945222625 /nfs/dbraw/zinc/22/26/25/945222625.db2.gz VFDKNMIPOMVRAH-UHFFFAOYSA-N 1 1 421.488 4.209 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccccc1 ZINC000540359329 939208258 /nfs/dbraw/zinc/20/82/58/939208258.db2.gz IEUSGRBRIJWHRU-JOCHJYFZSA-N 1 1 420.488 4.021 20 30 HIEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540541968 939298336 /nfs/dbraw/zinc/29/83/36/939298336.db2.gz FUPPCQITUVJERM-UHFFFAOYSA-N 1 1 424.570 4.017 20 30 HIEDMO COc1ccc2oc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c(C)c2c1 ZINC000540893308 939412249 /nfs/dbraw/zinc/41/22/49/939412249.db2.gz TXUWCMHBMPONEK-UHFFFAOYSA-N 1 1 403.482 4.038 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104118 939461489 /nfs/dbraw/zinc/46/14/89/939461489.db2.gz XFYWYCXYYDQSBL-MJGOQNOKSA-N 1 1 424.524 4.001 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1sccc1Br ZINC000541881575 939648890 /nfs/dbraw/zinc/64/88/90/939648890.db2.gz JTHJXKOQERQZQY-MLGOLLRUSA-N 1 1 404.333 4.228 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(OC(F)F)c1 ZINC000542058431 939701147 /nfs/dbraw/zinc/70/11/47/939701147.db2.gz WQNVDTZESWYBPB-CQSZACIVSA-N 1 1 400.351 4.212 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(OC(F)F)c1 ZINC000542058431 939701148 /nfs/dbraw/zinc/70/11/48/939701148.db2.gz WQNVDTZESWYBPB-CQSZACIVSA-N 1 1 400.351 4.212 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529688 939837972 /nfs/dbraw/zinc/83/79/72/939837972.db2.gz PCDCPUCGJSYAHB-OALUTQOASA-N 1 1 416.997 4.138 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1c(C)noc1C ZINC000542565138 939844479 /nfs/dbraw/zinc/84/44/79/939844479.db2.gz JUVMDUYNPAMOCC-HXUWFJFHSA-N 1 1 423.492 4.389 20 30 HIEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1ccc(C)o1 ZINC000542577101 939845640 /nfs/dbraw/zinc/84/56/40/939845640.db2.gz BAQMCTWPDLZIQL-OAQYLSRUSA-N 1 1 420.513 4.173 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542881032 939864890 /nfs/dbraw/zinc/86/48/90/939864890.db2.gz KOGGMJNSFYZSIK-KRWDZBQOSA-N 1 1 410.461 4.245 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000543389466 940048636 /nfs/dbraw/zinc/04/86/36/940048636.db2.gz TVEYBVJWUIPUDH-IAGOWNOFSA-N 1 1 406.711 4.086 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)c3cnn(C)c3)sc2C1 ZINC000543505511 940088407 /nfs/dbraw/zinc/08/84/07/940088407.db2.gz STTMTVIWDLXARW-GOEBONIOSA-N 1 1 413.591 4.184 20 30 HIEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608362 940129484 /nfs/dbraw/zinc/12/94/84/940129484.db2.gz GKQANXPRUYOMFK-HOTGVXAUSA-N 1 1 412.921 4.347 20 30 HIEDMO O=C(C[NH2+][C@H](CO)c1cccc(F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000543812987 940195214 /nfs/dbraw/zinc/19/52/14/940195214.db2.gz FCGYZQQHTUKXMH-OAHLLOKOSA-N 1 1 424.316 4.125 20 30 HIEDMO Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)nc21 ZINC000544204841 940353009 /nfs/dbraw/zinc/35/30/09/940353009.db2.gz ULLNQLHSHXSLFQ-NRFANRHFSA-N 1 1 409.493 4.388 20 30 HIEDMO Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)nc21 ZINC000544204841 940353017 /nfs/dbraw/zinc/35/30/17/940353017.db2.gz ULLNQLHSHXSLFQ-NRFANRHFSA-N 1 1 409.493 4.388 20 30 HIEDMO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000563890817 945319500 /nfs/dbraw/zinc/31/95/00/945319500.db2.gz KZBBFFHZMNAFOV-IBGZPJMESA-N 1 1 423.605 4.118 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1c(C)noc1C ZINC000544459067 940439697 /nfs/dbraw/zinc/43/96/97/940439697.db2.gz WYIWHKQJTIOESQ-NRFANRHFSA-N 1 1 419.529 4.309 20 30 HIEDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cc2Cl)CC1 ZINC000546485302 940832970 /nfs/dbraw/zinc/83/29/70/940832970.db2.gz MCCGZCFHMPVATK-UHFFFAOYSA-N 1 1 407.905 4.265 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548927574 941129860 /nfs/dbraw/zinc/12/98/60/941129860.db2.gz JBIFBJWGBXTEHP-QYEXWFEISA-N 1 1 411.509 4.093 20 30 HIEDMO C=CCCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000548978880 941138149 /nfs/dbraw/zinc/13/81/49/941138149.db2.gz HEOAIAPBYZMCGH-KRIYCRJKSA-N 1 1 405.970 4.146 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000549097418 941157820 /nfs/dbraw/zinc/15/78/20/941157820.db2.gz ABXUWNKGCNXDFY-QGZVFWFLSA-N 1 1 420.948 4.373 20 30 HIEDMO Cc1sc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164187 941167550 /nfs/dbraw/zinc/16/75/50/941167550.db2.gz FHBLHSHYZHITJR-FQEVSTJZSA-N 1 1 410.587 4.065 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549291596 941177502 /nfs/dbraw/zinc/17/75/02/941177502.db2.gz HKISSBVEQFXGQV-HXUWFJFHSA-N 1 1 406.578 4.025 20 30 HIEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000549429949 941189057 /nfs/dbraw/zinc/18/90/57/941189057.db2.gz DFECTVKSTUMESZ-GOSISDBHSA-N 1 1 420.586 4.417 20 30 HIEDMO CC(C)N1CC[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000549474176 941193945 /nfs/dbraw/zinc/19/39/45/941193945.db2.gz ZFLVLAOMKIUFMG-RBBKRZOGSA-N 1 1 423.467 4.200 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549698583 941205040 /nfs/dbraw/zinc/20/50/40/941205040.db2.gz IQBAECBQYGMVBP-LJQANCHMSA-N 1 1 404.562 4.238 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cc(Br)ccc3F)CC2)cc1 ZINC000549866514 941220351 /nfs/dbraw/zinc/22/03/51/941220351.db2.gz OJIAFFKADHGLOM-UHFFFAOYSA-N 1 1 402.311 4.214 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000550651876 941350381 /nfs/dbraw/zinc/35/03/81/941350381.db2.gz SXJXUWJKQIPPLY-UHFFFAOYSA-N 1 1 407.562 4.491 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)c2)cc1 ZINC000552199505 941600248 /nfs/dbraw/zinc/60/02/48/941600248.db2.gz ZZMRVLXYTFNZLR-QFIPXVFZSA-N 1 1 413.477 4.169 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)c2)cc1 ZINC000552199504 941600696 /nfs/dbraw/zinc/60/06/96/941600696.db2.gz ZZMRVLXYTFNZLR-JOCHJYFZSA-N 1 1 413.477 4.169 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000552834110 941782024 /nfs/dbraw/zinc/78/20/24/941782024.db2.gz ORZLNMYAIVXECH-UHFFFAOYSA-N 1 1 401.514 4.210 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000552834110 941782038 /nfs/dbraw/zinc/78/20/38/941782038.db2.gz ORZLNMYAIVXECH-UHFFFAOYSA-N 1 1 401.514 4.210 20 30 HIEDMO N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552851234 941788259 /nfs/dbraw/zinc/78/82/59/941788259.db2.gz PMJMHGUFWRXOTJ-AREMUKBSSA-N 1 1 424.548 4.189 20 30 HIEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767862 941963211 /nfs/dbraw/zinc/96/32/11/941963211.db2.gz LLUZFIVUHWCBOF-JXQFQVJHSA-N 1 1 403.526 4.347 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1C ZINC000553951669 942005301 /nfs/dbraw/zinc/00/53/01/942005301.db2.gz NLYNTTLBSYMRHZ-SFTDATJTSA-N 1 1 407.558 4.037 20 30 HIEDMO CCCN1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000554099240 942036159 /nfs/dbraw/zinc/03/61/59/942036159.db2.gz GSIVMJRMUBUMHR-UHFFFAOYSA-N 1 1 402.608 4.023 20 30 HIEDMO CCCN1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000554099240 942036161 /nfs/dbraw/zinc/03/61/61/942036161.db2.gz GSIVMJRMUBUMHR-UHFFFAOYSA-N 1 1 402.608 4.023 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847811 942284636 /nfs/dbraw/zinc/28/46/36/942284636.db2.gz FUXRWQHYCFTDMK-MRXNPFEDSA-N 1 1 411.493 4.492 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000554931233 942323874 /nfs/dbraw/zinc/32/38/74/942323874.db2.gz ZTFJOODYSPROFY-HXUWFJFHSA-N 1 1 412.541 4.104 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)CC2)c1 ZINC000556896196 942956751 /nfs/dbraw/zinc/95/67/51/942956751.db2.gz VKSQWTVECCSGII-VWLOTQADSA-N 1 1 417.528 4.244 20 30 HIEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1=O ZINC000558180904 943413479 /nfs/dbraw/zinc/41/34/79/943413479.db2.gz RIORCTOVAWBXOS-HXUWFJFHSA-N 1 1 408.502 4.225 20 30 HIEDMO COc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1OC(F)F ZINC000558417810 943553749 /nfs/dbraw/zinc/55/37/49/943553749.db2.gz JEEZKYWJIFRCSK-UHFFFAOYSA-N 1 1 406.404 4.351 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476060 943570393 /nfs/dbraw/zinc/57/03/93/943570393.db2.gz JHGPETGRMIYNJU-YWMUFLPLSA-N 1 1 413.587 4.107 20 30 HIEDMO CN(C)c1noc([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742961 943637561 /nfs/dbraw/zinc/63/75/61/943637561.db2.gz QQCZWXQCOYKIKS-FQEVSTJZSA-N 1 1 415.541 4.215 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000559000718 943797540 /nfs/dbraw/zinc/79/75/40/943797540.db2.gz AXWROXMXBUCZEB-KNQAVFIVSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000559003930 943799869 /nfs/dbraw/zinc/79/98/69/943799869.db2.gz JCWOINIKXRDCAB-GMAHTHKFSA-N 1 1 405.590 4.207 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000559008205 943801554 /nfs/dbraw/zinc/80/15/54/943801554.db2.gz RLRGPQRDYWSNDJ-SFHVURJKSA-N 1 1 418.570 4.338 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000559056612 943817864 /nfs/dbraw/zinc/81/78/64/943817864.db2.gz UIHNIXFAKSGYBP-HNNXBMFYSA-N 1 1 416.447 4.276 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Br ZINC000560664415 944287234 /nfs/dbraw/zinc/28/72/34/944287234.db2.gz GKXWQGOOOKORKW-UHFFFAOYSA-N 1 1 418.310 4.438 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCCO1 ZINC000561011107 944395865 /nfs/dbraw/zinc/39/58/65/944395865.db2.gz FJOAEHJYTDYERT-QGZVFWFLSA-N 1 1 403.592 4.498 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000562031072 944903595 /nfs/dbraw/zinc/90/35/95/944903595.db2.gz DSBFWAHBCQFVMI-RUZDIDTESA-N 1 1 414.557 4.019 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000562050119 944911648 /nfs/dbraw/zinc/91/16/48/944911648.db2.gz VMOFXTUJAAUUCC-LJQANCHMSA-N 1 1 409.338 4.380 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000562050297 944911864 /nfs/dbraw/zinc/91/18/64/944911864.db2.gz YHUMQPBRVNZXSM-OAQYLSRUSA-N 1 1 422.573 4.243 20 30 HIEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000564416078 945569317 /nfs/dbraw/zinc/56/93/17/945569317.db2.gz XFLWSTNJXZWRTP-CALCHBBNSA-N 1 1 417.475 4.476 20 30 HIEDMO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)c(C(F)(F)F)c1 ZINC000565921462 945926513 /nfs/dbraw/zinc/92/65/13/945926513.db2.gz DMBWKUICIGRGIZ-UHFFFAOYSA-N 1 1 419.266 4.396 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c(C(F)(F)F)c1 ZINC000565921462 945926531 /nfs/dbraw/zinc/92/65/31/945926531.db2.gz DMBWKUICIGRGIZ-UHFFFAOYSA-N 1 1 419.266 4.396 20 30 HIEDMO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](c2ccccc2)C1 ZINC000566944446 946183243 /nfs/dbraw/zinc/18/32/43/946183243.db2.gz OCAZUBFBIKZDKK-HSZRJFAPSA-N 1 1 413.481 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](c2ccccc2)C1 ZINC000566944446 946183267 /nfs/dbraw/zinc/18/32/67/946183267.db2.gz OCAZUBFBIKZDKK-HSZRJFAPSA-N 1 1 413.481 4.266 20 30 HIEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000566981095 946198872 /nfs/dbraw/zinc/19/88/72/946198872.db2.gz SNLJZHCHUWERPW-UHFFFAOYSA-N 1 1 410.610 4.198 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812554 946711096 /nfs/dbraw/zinc/71/10/96/946711096.db2.gz REQMPKALTXUEFK-IRLDBZIGSA-N 1 1 405.542 4.285 20 30 HIEDMO C[N@@H+](CCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000569055287 946812176 /nfs/dbraw/zinc/81/21/76/946812176.db2.gz DGELSRLBBUXWHP-UHFFFAOYSA-N 1 1 415.497 4.389 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000570671143 947325521 /nfs/dbraw/zinc/32/55/21/947325521.db2.gz UADDOJPLRYSJRS-PZJWPPBQSA-N 1 1 404.432 4.130 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000570782914 947356521 /nfs/dbraw/zinc/35/65/21/947356521.db2.gz YRVYMFXCFKIKPO-UHFFFAOYSA-N 1 1 420.605 4.414 20 30 HIEDMO O=C(C[NH2+][C@H](CO)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000571554477 947698237 /nfs/dbraw/zinc/69/82/37/947698237.db2.gz WYRSLEOMDNEGNY-OAHLLOKOSA-N 1 1 424.316 4.125 20 30 HIEDMO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571570880 947706101 /nfs/dbraw/zinc/70/61/01/947706101.db2.gz DDMCQXUFOJNESS-NRFANRHFSA-N 1 1 421.545 4.188 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000571898911 947807944 /nfs/dbraw/zinc/80/79/44/947807944.db2.gz UPYKEMRPOSXSCP-QFIPXVFZSA-N 1 1 402.546 4.017 20 30 HIEDMO CCCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000573057489 948073302 /nfs/dbraw/zinc/07/33/02/948073302.db2.gz ANZTZXRCWJUYFK-UHFFFAOYSA-N 1 1 411.937 4.140 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955018 948800859 /nfs/dbraw/zinc/80/08/59/948800859.db2.gz QXWWSHIVPQFDAT-ZJSXRUAMSA-N 1 1 416.481 4.113 20 30 HIEDMO O=C(CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1)Nc1ccccc1 ZINC000328605068 569417862 /nfs/dbraw/zinc/41/78/62/569417862.db2.gz MFESCPJPIRVRHV-WZONZLPQSA-N 1 1 403.486 4.163 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629779 719076055 /nfs/dbraw/zinc/07/60/55/719076055.db2.gz YZQKCHIDSALNDA-QFBILLFUSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627782 719080044 /nfs/dbraw/zinc/08/00/44/719080044.db2.gz QRDBBRAFOLNEFY-LPHOPBHVSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629903 719081149 /nfs/dbraw/zinc/08/11/49/719081149.db2.gz ZVNQEGFZFGKJBN-QZTJIDSGSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164725337 720490053 /nfs/dbraw/zinc/49/00/53/720490053.db2.gz JUHUNRYJKBQUOB-WOJBJXKFSA-N 1 1 421.907 4.456 20 30 HIEDMO Cc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164780960 721439644 /nfs/dbraw/zinc/43/96/44/721439644.db2.gz DDUSFELWUYFDEO-GASCZTMLSA-N 1 1 409.946 4.093 20 30 HIEDMO Cc1ccc2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164780960 721439645 /nfs/dbraw/zinc/43/96/45/721439645.db2.gz DDUSFELWUYFDEO-GASCZTMLSA-N 1 1 409.946 4.093 20 30 HIEDMO CSc1nc(Cl)c(C#N)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992855 722191410 /nfs/dbraw/zinc/19/14/10/722191410.db2.gz BHMFGCWZBPGJHT-FQEVSTJZSA-N 1 1 417.941 4.108 20 30 HIEDMO CSc1nc(Cl)c(C#N)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992855 722191411 /nfs/dbraw/zinc/19/14/11/722191411.db2.gz BHMFGCWZBPGJHT-FQEVSTJZSA-N 1 1 417.941 4.108 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c1C#N ZINC000007607317 845371684 /nfs/dbraw/zinc/37/16/84/845371684.db2.gz IFMLVFLIWDMPHF-CQSZACIVSA-N 1 1 412.440 4.185 20 30 HIEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1F ZINC000007919540 845447492 /nfs/dbraw/zinc/44/74/92/845447492.db2.gz ABDVNUBBSWFCKX-UHFFFAOYSA-N 1 1 401.507 4.107 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000010036660 845614515 /nfs/dbraw/zinc/61/45/15/845614515.db2.gz RUQQLZATSATYQW-QHCPKHFHSA-N 1 1 407.514 4.178 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000010036660 845614527 /nfs/dbraw/zinc/61/45/27/845614527.db2.gz RUQQLZATSATYQW-QHCPKHFHSA-N 1 1 407.514 4.178 20 30 HIEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018215616 846309767 /nfs/dbraw/zinc/30/97/67/846309767.db2.gz LPUQEFHWDZXNJA-UHFFFAOYSA-N 1 1 424.504 4.362 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000024211123 846803106 /nfs/dbraw/zinc/80/31/06/846803106.db2.gz LVKXYVDWWJSHSZ-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC000024211123 846803110 /nfs/dbraw/zinc/80/31/10/846803110.db2.gz LVKXYVDWWJSHSZ-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3nc4ccccc4o3)C1)CCC2 ZINC000024668189 846852001 /nfs/dbraw/zinc/85/20/01/846852001.db2.gz FBKWNOQQYCOKLD-HNNXBMFYSA-N 1 1 420.538 4.458 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025034825 846908859 /nfs/dbraw/zinc/90/88/59/846908859.db2.gz XCJPWPGOFSOGLZ-HXUWFJFHSA-N 1 1 404.967 4.184 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000029870046 847637590 /nfs/dbraw/zinc/63/75/90/847637590.db2.gz XKEQGEPAOMRKAG-IBGZPJMESA-N 1 1 410.543 4.103 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000029983658 847664390 /nfs/dbraw/zinc/66/43/90/847664390.db2.gz MMGDMSZXEMMVIP-UHFFFAOYSA-N 1 1 400.526 4.097 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cccc4ccccc43)CC2)cc1 ZINC000031184528 847838949 /nfs/dbraw/zinc/83/89/49/847838949.db2.gz MFJQDNCESVPBTE-UHFFFAOYSA-N 1 1 412.537 4.171 20 30 HIEDMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000042019619 848273876 /nfs/dbraw/zinc/27/38/76/848273876.db2.gz DGGGYYPBCHGHSE-GOSISDBHSA-N 1 1 418.541 4.139 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccco1 ZINC000043138025 848388331 /nfs/dbraw/zinc/38/83/31/848388331.db2.gz XZVGTTNJVCBDSB-QFIPXVFZSA-N 1 1 418.497 4.349 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c1C#N ZINC000044898153 848612860 /nfs/dbraw/zinc/61/28/60/848612860.db2.gz XABRBIFRJYLBCZ-UHFFFAOYSA-N 1 1 408.527 4.283 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c1C#N ZINC000044898153 848612866 /nfs/dbraw/zinc/61/28/66/848612866.db2.gz XABRBIFRJYLBCZ-UHFFFAOYSA-N 1 1 408.527 4.283 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583668 848878989 /nfs/dbraw/zinc/87/89/89/848878989.db2.gz DHRYBZXTHVBDHJ-UHFFFAOYSA-N 1 1 423.460 4.468 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000052825769 849631167 /nfs/dbraw/zinc/63/11/67/849631167.db2.gz VAKNEXYXLFEUSR-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000052825769 849631178 /nfs/dbraw/zinc/63/11/78/849631178.db2.gz VAKNEXYXLFEUSR-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 ZINC000053721127 849749128 /nfs/dbraw/zinc/74/91/28/849749128.db2.gz CFWKIQJDNBMIBB-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 ZINC000053721127 849749132 /nfs/dbraw/zinc/74/91/32/849749132.db2.gz CFWKIQJDNBMIBB-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO COc1cc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)ccc1OC(F)F ZINC000054428382 849866381 /nfs/dbraw/zinc/86/63/81/849866381.db2.gz HJCILXGCUPXEPZ-UHFFFAOYSA-N 1 1 415.440 4.161 20 30 HIEDMO CC(C)COc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057851716 850732306 /nfs/dbraw/zinc/73/23/06/850732306.db2.gz UDSMEFDGCUKVHK-UHFFFAOYSA-N 1 1 420.557 4.011 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000058591295 850863965 /nfs/dbraw/zinc/86/39/65/850863965.db2.gz DXIUZZWTDYCMAI-UHFFFAOYSA-N 1 1 424.570 4.298 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000058591295 850863967 /nfs/dbraw/zinc/86/39/67/850863967.db2.gz DXIUZZWTDYCMAI-UHFFFAOYSA-N 1 1 424.570 4.298 20 30 HIEDMO N#CC1CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000060893752 851243195 /nfs/dbraw/zinc/24/31/95/851243195.db2.gz MRMFSUCKIYRCIH-UHFFFAOYSA-N 1 1 409.549 4.359 20 30 HIEDMO C=CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287272 851651797 /nfs/dbraw/zinc/65/17/97/851651797.db2.gz NSVFMAZKWUEZCY-UHFFFAOYSA-N 1 1 405.454 4.306 20 30 HIEDMO C=CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287272 851651799 /nfs/dbraw/zinc/65/17/99/851651799.db2.gz NSVFMAZKWUEZCY-UHFFFAOYSA-N 1 1 405.454 4.306 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000063400488 851679413 /nfs/dbraw/zinc/67/94/13/851679413.db2.gz YARVAFOABDUTBN-FQEVSTJZSA-N 1 1 416.909 4.249 20 30 HIEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560025 851714194 /nfs/dbraw/zinc/71/41/94/851714194.db2.gz GIAFFMSLRRDWTF-UHFFFAOYSA-N 1 1 400.866 4.359 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000064448110 851900205 /nfs/dbraw/zinc/90/02/05/851900205.db2.gz ZDPJNLVWNQQPJZ-UHFFFAOYSA-N 1 1 401.432 4.314 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21 ZINC000096967555 852564607 /nfs/dbraw/zinc/56/46/07/852564607.db2.gz VTCKEMYZPRMCEC-HXUWFJFHSA-N 1 1 417.509 4.124 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21 ZINC000096967555 852564613 /nfs/dbraw/zinc/56/46/13/852564613.db2.gz VTCKEMYZPRMCEC-HXUWFJFHSA-N 1 1 417.509 4.124 20 30 HIEDMO Cc1cc(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000108060516 852820036 /nfs/dbraw/zinc/82/00/36/852820036.db2.gz GZDVFMOPYRFCSL-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1cc(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000108060516 852820040 /nfs/dbraw/zinc/82/00/40/852820040.db2.gz GZDVFMOPYRFCSL-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000108093925 852821794 /nfs/dbraw/zinc/82/17/94/852821794.db2.gz PGLAVFWVGGLHLR-JOCHJYFZSA-N 1 1 405.542 4.266 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000108707058 852874113 /nfs/dbraw/zinc/87/41/13/852874113.db2.gz XVKWVRBKRNHGLN-QFBILLFUSA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000110986420 853181217 /nfs/dbraw/zinc/18/12/17/853181217.db2.gz DHXASBHGQQDOIP-UHFFFAOYSA-N 1 1 417.475 4.312 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000116163592 853289050 /nfs/dbraw/zinc/28/90/50/853289050.db2.gz KKIHBGDNXYNJDP-QGZVFWFLSA-N 1 1 409.555 4.153 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143228285 853511087 /nfs/dbraw/zinc/51/10/87/853511087.db2.gz XBVDYPJWYITEJZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143228285 853511094 /nfs/dbraw/zinc/51/10/94/853511094.db2.gz XBVDYPJWYITEJZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143228285 853511099 /nfs/dbraw/zinc/51/10/99/853511099.db2.gz XBVDYPJWYITEJZ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO C=C(Br)CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000195707980 853771983 /nfs/dbraw/zinc/77/19/83/853771983.db2.gz LKZYFFJMEUPQGS-QGZVFWFLSA-N 1 1 420.376 4.055 20 30 HIEDMO C=C(Br)CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000195707980 853771991 /nfs/dbraw/zinc/77/19/91/853771991.db2.gz LKZYFFJMEUPQGS-QGZVFWFLSA-N 1 1 420.376 4.055 20 30 HIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000227244176 853883521 /nfs/dbraw/zinc/88/35/21/853883521.db2.gz DPCQBQKBZXDAMT-GIIQAUJJSA-N 1 1 408.546 4.327 20 30 HIEDMO C=CC[NH+]1CCC(NCc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236732074 853917166 /nfs/dbraw/zinc/91/71/66/853917166.db2.gz QYPJJFKPQCDZOI-UHFFFAOYSA-N 1 1 416.363 4.163 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)c1 ZINC000237467417 854038747 /nfs/dbraw/zinc/03/87/47/854038747.db2.gz VEJXAKDKDHMVPX-QFIPXVFZSA-N 1 1 410.926 4.494 20 30 HIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237607967 854061384 /nfs/dbraw/zinc/06/13/84/854061384.db2.gz JBMBSMAXTAWBJM-HOYKHHGWSA-N 1 1 420.534 4.260 20 30 HIEDMO C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301450418 854397954 /nfs/dbraw/zinc/39/79/54/854397954.db2.gz PUIHFQKFRDVUSU-KRWDZBQOSA-N 1 1 401.470 4.115 20 30 HIEDMO COc1cccc([C@@H]2[C@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000302050687 854522788 /nfs/dbraw/zinc/52/27/88/854522788.db2.gz ORCLPGZQDRXADM-IEBWSBKVSA-N 1 1 402.420 4.371 20 30 HIEDMO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302901982 854672444 /nfs/dbraw/zinc/67/24/44/854672444.db2.gz TZSFPUWDEDKVRB-GOSISDBHSA-N 1 1 424.907 4.468 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000302962920 854698443 /nfs/dbraw/zinc/69/84/43/854698443.db2.gz MNRYJVRTYYGNMT-UHFFFAOYSA-N 1 1 422.598 4.430 20 30 HIEDMO Cc1cccc(C2(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC000303122739 854770922 /nfs/dbraw/zinc/77/09/22/854770922.db2.gz ITJURVTWSIWHOT-UHFFFAOYSA-N 1 1 401.554 4.413 20 30 HIEDMO Cc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC000303122739 854770926 /nfs/dbraw/zinc/77/09/26/854770926.db2.gz ITJURVTWSIWHOT-UHFFFAOYSA-N 1 1 401.554 4.413 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000303217552 854821344 /nfs/dbraw/zinc/82/13/44/854821344.db2.gz UFKDIZJJMAEZMP-KDURUIRLSA-N 1 1 407.583 4.445 20 30 HIEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508987 854997525 /nfs/dbraw/zinc/99/75/25/854997525.db2.gz BHVFOQWQNCHMDL-ROUUACIJSA-N 1 1 402.970 4.127 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508987 854997532 /nfs/dbraw/zinc/99/75/32/854997532.db2.gz BHVFOQWQNCHMDL-ROUUACIJSA-N 1 1 402.970 4.127 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000303711727 855145420 /nfs/dbraw/zinc/14/54/20/855145420.db2.gz PYJZMVNEIUEEIE-UHFFFAOYSA-N 1 1 409.505 4.233 20 30 HIEDMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426359440 856258330 /nfs/dbraw/zinc/25/83/30/856258330.db2.gz CNEAEKHPGLXQTI-UHFFFAOYSA-N 1 1 419.422 4.482 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1OC ZINC000426379324 856266085 /nfs/dbraw/zinc/26/60/85/856266085.db2.gz PHMJDJNPKHFSAR-UHFFFAOYSA-N 1 1 412.349 4.079 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)cc1OC ZINC000426379324 856266092 /nfs/dbraw/zinc/26/60/92/856266092.db2.gz PHMJDJNPKHFSAR-UHFFFAOYSA-N 1 1 412.349 4.079 20 30 HIEDMO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000426420958 856282258 /nfs/dbraw/zinc/28/22/58/856282258.db2.gz PJCUXZZAIWMCSQ-FXAWDEMLSA-N 1 1 410.587 4.333 20 30 HIEDMO N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)o1 ZINC000426421246 856282403 /nfs/dbraw/zinc/28/24/03/856282403.db2.gz PLGKKPFKHZUKSC-UHFFFAOYSA-N 1 1 412.449 4.367 20 30 HIEDMO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000426420959 856282598 /nfs/dbraw/zinc/28/25/98/856282598.db2.gz PJCUXZZAIWMCSQ-PXNSSMCTSA-N 1 1 410.587 4.333 20 30 HIEDMO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1 ZINC000426772714 856470683 /nfs/dbraw/zinc/47/06/83/856470683.db2.gz LGOKTBOHKFHARV-QGZVFWFLSA-N 1 1 400.573 4.429 20 30 HIEDMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1 ZINC000426772714 856470688 /nfs/dbraw/zinc/47/06/88/856470688.db2.gz LGOKTBOHKFHARV-QGZVFWFLSA-N 1 1 400.573 4.429 20 30 HIEDMO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428666196 857293543 /nfs/dbraw/zinc/29/35/43/857293543.db2.gz GXJMEZZKRXYAFJ-IBGZPJMESA-N 1 1 408.452 4.088 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nc4ccccc4n3C)sc2C1 ZINC000428754858 857320547 /nfs/dbraw/zinc/32/05/47/857320547.db2.gz WEIUUXNBTZEDAL-HNNXBMFYSA-N 1 1 421.570 4.092 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nc4ccccc4n3C)sc2C1 ZINC000428754858 857320558 /nfs/dbraw/zinc/32/05/58/857320558.db2.gz WEIUUXNBTZEDAL-HNNXBMFYSA-N 1 1 421.570 4.092 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccccc1 ZINC000430157445 858058073 /nfs/dbraw/zinc/05/80/73/858058073.db2.gz DMYLRKHEVAVGRR-QFIPXVFZSA-N 1 1 415.493 4.194 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000430592217 858229506 /nfs/dbraw/zinc/22/95/06/858229506.db2.gz LZHJQLUOTMATQX-XMMPIXPASA-N 1 1 405.567 4.431 20 30 HIEDMO CCOC(=O)c1sc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433022895 859484636 /nfs/dbraw/zinc/48/46/36/859484636.db2.gz YAXVGXOEFKCCOO-MRXNPFEDSA-N 1 1 423.542 4.283 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433078572 859513046 /nfs/dbraw/zinc/51/30/46/859513046.db2.gz SIOVLUTWLVZMMF-LJQANCHMSA-N 1 1 423.582 4.045 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433078570 859513695 /nfs/dbraw/zinc/51/36/95/859513695.db2.gz SIOVLUTWLVZMMF-IBGZPJMESA-N 1 1 423.582 4.045 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCSC1 ZINC000433195988 859563546 /nfs/dbraw/zinc/56/35/46/859563546.db2.gz FBEKZOZXTLAVRY-MRXNPFEDSA-N 1 1 421.632 4.061 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c2ccc(C)cc2)cc1 ZINC000433698855 859842594 /nfs/dbraw/zinc/84/25/94/859842594.db2.gz IRXBVZJQHNCKNV-FCHUYYIVSA-N 1 1 417.534 4.421 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700944 859843607 /nfs/dbraw/zinc/84/36/07/859843607.db2.gz YGPNCYYEHZJYLF-ZEQRLZLVSA-N 1 1 415.468 4.190 20 30 HIEDMO C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434369898 860316353 /nfs/dbraw/zinc/31/63/53/860316353.db2.gz BZJFPMNJRVNVDG-ZCNNSNEGSA-N 1 1 420.557 4.037 20 30 HIEDMO C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434369898 860316363 /nfs/dbraw/zinc/31/63/63/860316363.db2.gz BZJFPMNJRVNVDG-ZCNNSNEGSA-N 1 1 420.557 4.037 20 30 HIEDMO C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000434903475 860547637 /nfs/dbraw/zinc/54/76/37/860547637.db2.gz ATALRQNRIPELAH-VWLOTQADSA-N 1 1 413.525 4.027 20 30 HIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000434903475 860547642 /nfs/dbraw/zinc/54/76/42/860547642.db2.gz ATALRQNRIPELAH-VWLOTQADSA-N 1 1 413.525 4.027 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000434985863 860586190 /nfs/dbraw/zinc/58/61/90/860586190.db2.gz KZQOGIJGOUUTPJ-DHIUTWEWSA-N 1 1 419.504 4.350 20 30 HIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989759 860587944 /nfs/dbraw/zinc/58/79/44/860587944.db2.gz CEQRKPCJMKCBKR-NRFANRHFSA-N 1 1 409.921 4.332 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133907 860656793 /nfs/dbraw/zinc/65/67/93/860656793.db2.gz DYGOIMVVADRHIM-JOCHJYFZSA-N 1 1 401.514 4.074 20 30 HIEDMO C[N@@H+](Cc1cc(Br)cs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435137801 860659261 /nfs/dbraw/zinc/65/92/61/860659261.db2.gz NZRAXPNGNAHBAZ-UHFFFAOYSA-N 1 1 416.348 4.315 20 30 HIEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000435137472 860659385 /nfs/dbraw/zinc/65/93/85/860659385.db2.gz MHXYGWZIYYBTKZ-UXHICEINSA-N 1 1 420.513 4.450 20 30 HIEDMO N#Cc1csc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000437743527 863070177 /nfs/dbraw/zinc/07/01/77/863070177.db2.gz IIHTXTILQVNISU-INIZCTEOSA-N 1 1 407.461 4.146 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437847382 863203534 /nfs/dbraw/zinc/20/35/34/863203534.db2.gz ZDRRFPJLZFQCBG-IBGZPJMESA-N 1 1 406.530 4.474 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000438063815 863438938 /nfs/dbraw/zinc/43/89/38/863438938.db2.gz DHOLKAKSVKRAIA-UHFFFAOYSA-N 1 1 407.461 4.375 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000438635970 864068008 /nfs/dbraw/zinc/06/80/08/864068008.db2.gz JGNANQPKESRMJF-UHFFFAOYSA-N 1 1 402.420 4.235 20 30 HIEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000438652642 864093644 /nfs/dbraw/zinc/09/36/44/864093644.db2.gz XUORLUOSUBBFFA-QGZVFWFLSA-N 1 1 407.514 4.189 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)sc2c1CCCCC2 ZINC000438994194 864452161 /nfs/dbraw/zinc/45/21/61/864452161.db2.gz BMPBXVDDZDSAFU-RLLQIKCJSA-N 1 1 415.603 4.233 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439439362 864832188 /nfs/dbraw/zinc/83/21/88/864832188.db2.gz OBAVDCHWBDUOTF-INIZCTEOSA-N 1 1 401.860 4.225 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481512 864847554 /nfs/dbraw/zinc/84/75/54/864847554.db2.gz IPQOEIRZNVRQGK-UZUQRXQVSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481512 864847556 /nfs/dbraw/zinc/84/75/56/864847556.db2.gz IPQOEIRZNVRQGK-UZUQRXQVSA-N 1 1 405.546 4.335 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000468028736 881862599 /nfs/dbraw/zinc/86/25/99/881862599.db2.gz XCPRMSBLMJGHLP-UHFFFAOYSA-N 1 1 413.521 4.243 20 30 HIEDMO CC1(C)C[N@H+](C2(CNC(=O)N[C@@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249558 865490692 /nfs/dbraw/zinc/49/06/92/865490692.db2.gz PEXYEVNSEYLOGH-NRFANRHFSA-N 1 1 412.578 4.144 20 30 HIEDMO C=CCC[C@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000440875864 865971846 /nfs/dbraw/zinc/97/18/46/865971846.db2.gz PKDIBMGWDAAWPJ-KRWDZBQOSA-N 1 1 409.456 4.012 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441232478 866307820 /nfs/dbraw/zinc/30/78/20/866307820.db2.gz SSIARSWWBPOOSM-UXHICEINSA-N 1 1 412.578 4.169 20 30 HIEDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441267549 866341836 /nfs/dbraw/zinc/34/18/36/866341836.db2.gz PVYJVFDHFPCDHR-HZPDHXFCSA-N 1 1 410.905 4.076 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441352360 866421966 /nfs/dbraw/zinc/42/19/66/866421966.db2.gz KJQXPIISFOLUJU-UGKGYDQZSA-N 1 1 420.557 4.233 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)o2)cc1 ZINC000441483412 866565197 /nfs/dbraw/zinc/56/51/97/866565197.db2.gz VTHXHYXHOWREFE-UHFFFAOYSA-N 1 1 400.482 4.488 20 30 HIEDMO CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000441492570 866575722 /nfs/dbraw/zinc/57/57/22/866575722.db2.gz PWHVAIOZQJCHKC-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441492570 866575734 /nfs/dbraw/zinc/57/57/34/866575734.db2.gz PWHVAIOZQJCHKC-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441492570 866575742 /nfs/dbraw/zinc/57/57/42/866575742.db2.gz PWHVAIOZQJCHKC-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000441492569 866575849 /nfs/dbraw/zinc/57/58/49/866575849.db2.gz PWHVAIOZQJCHKC-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441492569 866575855 /nfs/dbraw/zinc/57/58/55/866575855.db2.gz PWHVAIOZQJCHKC-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441492569 866575868 /nfs/dbraw/zinc/57/58/68/866575868.db2.gz PWHVAIOZQJCHKC-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000441623466 866724002 /nfs/dbraw/zinc/72/40/02/866724002.db2.gz UEPPMVMLAQFTNQ-HXUWFJFHSA-N 1 1 424.976 4.183 20 30 HIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000443062437 867806548 /nfs/dbraw/zinc/80/65/48/867806548.db2.gz AZEGAUVCCUZIQC-ZHRMCQFGSA-N 1 1 405.546 4.028 20 30 HIEDMO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000443095505 867817916 /nfs/dbraw/zinc/81/79/16/867817916.db2.gz RHSOWYAFQQCTII-UHFFFAOYSA-N 1 1 401.507 4.263 20 30 HIEDMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000443095505 867817919 /nfs/dbraw/zinc/81/79/19/867817919.db2.gz RHSOWYAFQQCTII-UHFFFAOYSA-N 1 1 401.507 4.263 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456265 868044890 /nfs/dbraw/zinc/04/48/90/868044890.db2.gz SXWRDVSZHPPSDV-GOTSBHOMSA-N 1 1 413.949 4.472 20 30 HIEDMO COc1ccc([C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443470550 868057975 /nfs/dbraw/zinc/05/79/75/868057975.db2.gz VYQOYJOHOUDCLI-DEOSSOPVSA-N 1 1 421.541 4.068 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597336 868151471 /nfs/dbraw/zinc/15/14/71/868151471.db2.gz YYZBXDBHRQQELB-FQEVSTJZSA-N 1 1 414.569 4.049 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651627 868246598 /nfs/dbraw/zinc/24/65/98/868246598.db2.gz FGMWOCFTJAVVJL-UYAOXDASSA-N 1 1 410.489 4.315 20 30 HIEDMO N#CCCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000443907383 868444019 /nfs/dbraw/zinc/44/40/19/868444019.db2.gz LHHZXSZXOBLEOI-UHFFFAOYSA-N 1 1 418.516 4.432 20 30 HIEDMO N#CCCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000443907383 868444026 /nfs/dbraw/zinc/44/40/26/868444026.db2.gz LHHZXSZXOBLEOI-UHFFFAOYSA-N 1 1 418.516 4.432 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000444174821 868648979 /nfs/dbraw/zinc/64/89/79/868648979.db2.gz HTIMHQMFVFRSAO-LADGPHEKSA-N 1 1 419.569 4.477 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444697793 868962807 /nfs/dbraw/zinc/96/28/07/868962807.db2.gz YYERWIUXBRYDFW-MRXNPFEDSA-N 1 1 422.451 4.221 20 30 HIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCCC1(C)C ZINC000444782205 869001010 /nfs/dbraw/zinc/00/10/10/869001010.db2.gz IDVNHRJVKGIRCV-FQEVSTJZSA-N 1 1 400.567 4.018 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444795451 869010430 /nfs/dbraw/zinc/01/04/30/869010430.db2.gz YMYNNAWRZZFVDY-UHFFFAOYSA-N 1 1 410.583 4.220 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895084 869876275 /nfs/dbraw/zinc/87/62/75/869876275.db2.gz DXYXUEWICJRZNP-SFHVURJKSA-N 1 1 414.303 4.105 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)c1 ZINC000446994374 870882620 /nfs/dbraw/zinc/88/26/20/870882620.db2.gz RNQOTZLOQLZXIK-QHCPKHFHSA-N 1 1 409.938 4.474 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(F)c(F)c1)c1cccc(SC)c1 ZINC000447340681 871238177 /nfs/dbraw/zinc/23/81/77/871238177.db2.gz MCMWUHNWLXLDOB-OAQYLSRUSA-N 1 1 403.498 4.128 20 30 HIEDMO N#C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000447730263 871679073 /nfs/dbraw/zinc/67/90/73/871679073.db2.gz QXVMYDKNRHPYSI-AVRWGWEMSA-N 1 1 413.452 4.463 20 30 HIEDMO N#C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000447730263 871679092 /nfs/dbraw/zinc/67/90/92/871679092.db2.gz QXVMYDKNRHPYSI-AVRWGWEMSA-N 1 1 413.452 4.463 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)c2ccccc2)c1 ZINC000448074466 871896094 /nfs/dbraw/zinc/89/60/94/871896094.db2.gz MZBSDQIYPBSMIY-QHCPKHFHSA-N 1 1 409.938 4.474 20 30 HIEDMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541273 882578716 /nfs/dbraw/zinc/57/87/16/882578716.db2.gz FOCCDVNGGDDWIB-AWEZNQCLSA-N 1 1 414.365 4.381 20 30 HIEDMO CCn1c(CC2CCCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460215383 872801457 /nfs/dbraw/zinc/80/14/57/872801457.db2.gz MSJPFESCANDDPM-UHFFFAOYSA-N 1 1 406.578 4.005 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460372494 873008355 /nfs/dbraw/zinc/00/83/55/873008355.db2.gz DVFKGSFJRWCLJW-UHFFFAOYSA-N 1 1 420.536 4.076 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460783562 873640849 /nfs/dbraw/zinc/64/08/49/873640849.db2.gz PDSYNSLMTDTJAX-KURKYZTESA-N 1 1 401.530 4.052 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460791950 873656084 /nfs/dbraw/zinc/65/60/84/873656084.db2.gz HXQOHGXHLIBOQU-QYZOEREBSA-N 1 1 415.557 4.442 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460952198 873850549 /nfs/dbraw/zinc/85/05/49/873850549.db2.gz NZPSVEXKXCXNKL-CEMLEFRQSA-N 1 1 409.578 4.020 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460953661 873851616 /nfs/dbraw/zinc/85/16/16/873851616.db2.gz ATPBXYFXDDGHSR-SWUCNREESA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460962995 873860610 /nfs/dbraw/zinc/86/06/10/873860610.db2.gz MQRSTPKCHWIOLH-TZIWHRDSSA-N 1 1 406.578 4.166 20 30 HIEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000461710125 874858846 /nfs/dbraw/zinc/85/88/46/874858846.db2.gz ZUPBUQUPOTTXCO-QZTJIDSGSA-N 1 1 406.530 4.242 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951845 875082412 /nfs/dbraw/zinc/08/24/12/875082412.db2.gz DCCWMYQVIBKYOR-QFHJOOASSA-N 1 1 408.468 4.080 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951840 875082603 /nfs/dbraw/zinc/08/26/03/875082603.db2.gz DCCWMYQVIBKYOR-ISARSNTHSA-N 1 1 408.468 4.080 20 30 HIEDMO C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000462466559 875573993 /nfs/dbraw/zinc/57/39/93/875573993.db2.gz OVOPEPMJUHEJHL-QGZVFWFLSA-N 1 1 416.978 4.027 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462784261 875838625 /nfs/dbraw/zinc/83/86/25/875838625.db2.gz BHKMZNPDTGDROV-KRWDZBQOSA-N 1 1 415.497 4.859 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462784262 875838771 /nfs/dbraw/zinc/83/87/71/875838771.db2.gz BHKMZNPDTGDROV-QGZVFWFLSA-N 1 1 415.497 4.859 20 30 HIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203725 876264801 /nfs/dbraw/zinc/26/48/01/876264801.db2.gz QKFYPERLRLLBCP-CIQXWFTPSA-N 1 1 417.981 4.238 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000464835348 878096405 /nfs/dbraw/zinc/09/64/05/878096405.db2.gz HYYGFYXPNFRXCO-QHCPKHFHSA-N 1 1 418.585 4.147 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464839329 878102881 /nfs/dbraw/zinc/10/28/81/878102881.db2.gz PUMJGLVMTCNBRV-ROUUACIJSA-N 1 1 422.598 4.032 20 30 HIEDMO Cc1ccc2c(CCC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC000465049341 878412081 /nfs/dbraw/zinc/41/20/81/878412081.db2.gz CSYFDFNIFWYSDG-UHFFFAOYSA-N 1 1 400.526 4.015 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1Cl ZINC000465464411 878897493 /nfs/dbraw/zinc/89/74/93/878897493.db2.gz CLXDGQZYWJRMIA-BAGYTPMASA-N 1 1 410.949 4.424 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465747201 879333397 /nfs/dbraw/zinc/33/33/97/879333397.db2.gz FQDPSPINXSUYCY-DLTYFMDKSA-N 1 1 402.542 4.303 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000465803623 879417577 /nfs/dbraw/zinc/41/75/77/879417577.db2.gz BQHWDMGCSQLMDF-WWPVKYPJSA-N 1 1 422.598 4.441 20 30 HIEDMO Fc1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000466415124 880186039 /nfs/dbraw/zinc/18/60/39/880186039.db2.gz SRIIXIPQCSNMRL-UHFFFAOYSA-N 1 1 412.305 4.393 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000467029955 880829485 /nfs/dbraw/zinc/82/94/85/880829485.db2.gz XRSGUZIHHOAVSY-GHTZIAJQSA-N 1 1 415.493 4.123 20 30 HIEDMO Cc1ccccc1-c1noc([C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000467186363 880912247 /nfs/dbraw/zinc/91/22/47/880912247.db2.gz KECSTZWUIVCUGV-IBGZPJMESA-N 1 1 401.514 4.186 20 30 HIEDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467266189 881004396 /nfs/dbraw/zinc/00/43/96/881004396.db2.gz OBCMJEINFLZLHV-QFIPXVFZSA-N 1 1 422.573 4.102 20 30 HIEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000469256470 883353185 /nfs/dbraw/zinc/35/31/85/883353185.db2.gz YERGFESSKSVVIY-IBGZPJMESA-N 1 1 400.526 4.122 20 30 HIEDMO N#CCCCN1C(=O)CCc2cc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000469291774 883389543 /nfs/dbraw/zinc/38/95/43/883389543.db2.gz VLLQBUDSUYWQCX-QHCPKHFHSA-N 1 1 402.542 4.346 20 30 HIEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469372096 883497202 /nfs/dbraw/zinc/49/72/02/883497202.db2.gz WAQSARVTIMQASJ-JOCHJYFZSA-N 1 1 402.498 4.357 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000469725898 883888003 /nfs/dbraw/zinc/88/80/03/883888003.db2.gz RAIHYWNJMCWZDI-JTHBVZDNSA-N 1 1 422.479 4.398 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000469725898 883888005 /nfs/dbraw/zinc/88/80/05/883888005.db2.gz RAIHYWNJMCWZDI-JTHBVZDNSA-N 1 1 422.479 4.398 20 30 HIEDMO Cc1sc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccc(Cl)cc1 ZINC000469761346 883928473 /nfs/dbraw/zinc/92/84/73/883928473.db2.gz SSIVWMYPEGSGOL-STQMWFEESA-N 1 1 402.951 4.374 20 30 HIEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899779 884088642 /nfs/dbraw/zinc/08/86/42/884088642.db2.gz UCHVXQFWMKKGQG-KRWDZBQOSA-N 1 1 405.502 4.057 20 30 HIEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000471153952 885703293 /nfs/dbraw/zinc/70/32/93/885703293.db2.gz JJYHFBVSBKEMCU-HXUWFJFHSA-N 1 1 417.340 4.204 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c1C ZINC000471164357 885719996 /nfs/dbraw/zinc/71/99/96/885719996.db2.gz FMXNMGIKOQFMFM-HSZRJFAPSA-N 1 1 404.558 4.151 20 30 HIEDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000472239946 887047391 /nfs/dbraw/zinc/04/73/91/887047391.db2.gz JGGHBRPBRSAPQY-AUSIDOKSSA-N 1 1 413.525 4.198 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2Cc3ccccc3C[C@@H]2C)c1C#N ZINC000472253201 887062689 /nfs/dbraw/zinc/06/26/89/887062689.db2.gz AZUGXSRWGAQVLD-KRWDZBQOSA-N 1 1 416.525 4.393 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472311817 887139410 /nfs/dbraw/zinc/13/94/10/887139410.db2.gz IYCKGOXZJSTMOB-WIYYLYMNSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472311817 887139417 /nfs/dbraw/zinc/13/94/17/887139417.db2.gz IYCKGOXZJSTMOB-WIYYLYMNSA-N 1 1 414.456 4.191 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000472494132 887362454 /nfs/dbraw/zinc/36/24/54/887362454.db2.gz DZBZHQLMOBZHQK-ACWUQQCTSA-N 1 1 419.569 4.380 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1 ZINC000472573665 887458170 /nfs/dbraw/zinc/45/81/70/887458170.db2.gz JAJMIXYHGQUPEP-OAQYLSRUSA-N 1 1 416.550 4.446 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1 ZINC000472573665 887458174 /nfs/dbraw/zinc/45/81/74/887458174.db2.gz JAJMIXYHGQUPEP-OAQYLSRUSA-N 1 1 416.550 4.446 20 30 HIEDMO C[C@@H](CCC#N)[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472571794 887458528 /nfs/dbraw/zinc/45/85/28/887458528.db2.gz SAWBVSYJGMRYSJ-GJZGRUSLSA-N 1 1 407.440 4.126 20 30 HIEDMO C[C@H](CCC#N)[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472571793 887458550 /nfs/dbraw/zinc/45/85/50/887458550.db2.gz SAWBVSYJGMRYSJ-CABCVRRESA-N 1 1 407.440 4.126 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000504336690 913176282 /nfs/dbraw/zinc/17/62/82/913176282.db2.gz ADUDBWYFSCQPDI-NZQKXSOJSA-N 1 1 419.569 4.255 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173892 887950765 /nfs/dbraw/zinc/95/07/65/887950765.db2.gz WWXPJIWEAWWAGZ-VOIUYBSRSA-N 1 1 421.566 4.205 20 30 HIEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504367586 913197922 /nfs/dbraw/zinc/19/79/22/913197922.db2.gz GYQFVQNBQDTYLP-BBRMVZONSA-N 1 1 404.864 4.066 20 30 HIEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504367586 913197926 /nfs/dbraw/zinc/19/79/26/913197926.db2.gz GYQFVQNBQDTYLP-BBRMVZONSA-N 1 1 404.864 4.066 20 30 HIEDMO C=C[C@@](C)(CCOC)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000473623167 888363501 /nfs/dbraw/zinc/36/35/01/888363501.db2.gz IDLBHKNKIOPGTF-NRFANRHFSA-N 1 1 412.496 4.357 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C)c(OC)c1 ZINC000474181939 889020584 /nfs/dbraw/zinc/02/05/84/889020584.db2.gz ZCPMWPVJWMLUKK-UHFFFAOYSA-N 1 1 409.530 4.251 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C)c(OC)c1 ZINC000474181939 889020594 /nfs/dbraw/zinc/02/05/94/889020594.db2.gz ZCPMWPVJWMLUKK-UHFFFAOYSA-N 1 1 409.530 4.251 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000475262004 890154499 /nfs/dbraw/zinc/15/44/99/890154499.db2.gz GFZMINRQYPAWEE-UHFFFAOYSA-N 1 1 407.558 4.245 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000475282890 890180211 /nfs/dbraw/zinc/18/02/11/890180211.db2.gz UWIDNDIXFLUCIB-QFIPXVFZSA-N 1 1 419.504 4.179 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)s1 ZINC000475618865 890550550 /nfs/dbraw/zinc/55/05/50/890550550.db2.gz BOHFLAJSJGYUEO-CQSZACIVSA-N 1 1 405.239 4.224 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475684624 890625714 /nfs/dbraw/zinc/62/57/14/890625714.db2.gz BWAKURHCTCMHOZ-NTKDMRAZSA-N 1 1 423.582 4.089 20 30 HIEDMO C=C(C)[C@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccc(F)c(F)c1 ZINC000475703832 890641301 /nfs/dbraw/zinc/64/13/01/890641301.db2.gz PQMOBYKGVSJDOG-FQEVSTJZSA-N 1 1 405.514 4.375 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476483650 891394347 /nfs/dbraw/zinc/39/43/47/891394347.db2.gz AWSRQQKZHJQYNT-XZOQPEGZSA-N 1 1 405.542 4.293 20 30 HIEDMO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477046630 891974162 /nfs/dbraw/zinc/97/41/62/891974162.db2.gz WEDNMTPZVFZVSB-DQLDELGASA-N 1 1 409.521 4.018 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477867838 892925765 /nfs/dbraw/zinc/92/57/65/892925765.db2.gz UMCJGEXHZLLPPY-UHFFFAOYSA-N 1 1 417.475 4.397 20 30 HIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000478035527 893165387 /nfs/dbraw/zinc/16/53/87/893165387.db2.gz PBZXSAXTTWGEMC-INIZCTEOSA-N 1 1 414.600 4.465 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047408 893191303 /nfs/dbraw/zinc/19/13/03/893191303.db2.gz QJHLXKKPJRWJIN-LJQANCHMSA-N 1 1 414.619 4.217 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl ZINC000478051596 893200677 /nfs/dbraw/zinc/20/06/77/893200677.db2.gz BVXSQBHPAJHZFJ-UHFFFAOYSA-N 1 1 407.905 4.431 20 30 HIEDMO Cc1ccc(C(=O)NC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000478949593 894231395 /nfs/dbraw/zinc/23/13/95/894231395.db2.gz BBECQSAFYGDREM-UHFFFAOYSA-N 1 1 406.473 4.321 20 30 HIEDMO Cc1ccccc1C(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000478971657 894250478 /nfs/dbraw/zinc/25/04/78/894250478.db2.gz MZEZCXNQUQQVTL-UHFFFAOYSA-N 1 1 400.444 4.260 20 30 HIEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479084561 894350686 /nfs/dbraw/zinc/35/06/86/894350686.db2.gz YPKLFUVXRCSLHQ-UHFFFAOYSA-N 1 1 419.554 4.349 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479084561 894350702 /nfs/dbraw/zinc/35/07/02/894350702.db2.gz YPKLFUVXRCSLHQ-UHFFFAOYSA-N 1 1 419.554 4.349 20 30 HIEDMO N#CC1(NC(=O)c2cnc(-c3ccccc3F)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479346801 894640952 /nfs/dbraw/zinc/64/09/52/894640952.db2.gz QBLKTYPINSDHKB-UHFFFAOYSA-N 1 1 420.513 4.237 20 30 HIEDMO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000479969731 895322959 /nfs/dbraw/zinc/32/29/59/895322959.db2.gz QTQGWJIWJPHHKF-SFHVURJKSA-N 1 1 407.489 4.259 20 30 HIEDMO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000479969731 895322974 /nfs/dbraw/zinc/32/29/74/895322974.db2.gz QTQGWJIWJPHHKF-SFHVURJKSA-N 1 1 407.489 4.259 20 30 HIEDMO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051785 895400472 /nfs/dbraw/zinc/40/04/72/895400472.db2.gz STZGHYHMIDZTDN-FQEVSTJZSA-N 1 1 413.569 4.480 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051785 895400485 /nfs/dbraw/zinc/40/04/85/895400485.db2.gz STZGHYHMIDZTDN-FQEVSTJZSA-N 1 1 413.569 4.480 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480562629 895923813 /nfs/dbraw/zinc/92/38/13/895923813.db2.gz XSPSMVFSDDYIAG-HNNXBMFYSA-N 1 1 401.860 4.225 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480562629 895923826 /nfs/dbraw/zinc/92/38/26/895923826.db2.gz XSPSMVFSDDYIAG-HNNXBMFYSA-N 1 1 401.860 4.225 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(Br)c1 ZINC000481094474 896416407 /nfs/dbraw/zinc/41/64/07/896416407.db2.gz QQZFFDNEWAVVND-UHFFFAOYSA-N 1 1 413.319 4.107 20 30 HIEDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3Br)ccc2NC1=O ZINC000481302135 896647240 /nfs/dbraw/zinc/64/72/40/896647240.db2.gz SVSBHVWZSOPLDK-XIKOKIGWSA-N 1 1 414.303 4.281 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(F)c(F)c1 ZINC000481573019 896952057 /nfs/dbraw/zinc/95/20/57/896952057.db2.gz SEMOAONPOJNLQX-XOBRGWDASA-N 1 1 402.441 4.294 20 30 HIEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130450 897587976 /nfs/dbraw/zinc/58/79/76/897587976.db2.gz DYSWIMVHNSJPKK-JOCHJYFZSA-N 1 1 415.541 4.171 20 30 HIEDMO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130450 897587990 /nfs/dbraw/zinc/58/79/90/897587990.db2.gz DYSWIMVHNSJPKK-JOCHJYFZSA-N 1 1 415.541 4.171 20 30 HIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482886053 898501304 /nfs/dbraw/zinc/50/13/04/898501304.db2.gz IHRKWJFCZKNIDZ-UHFFFAOYSA-N 1 1 413.521 4.306 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483136217 898817091 /nfs/dbraw/zinc/81/70/91/898817091.db2.gz PQRBOAUBNVXDAP-DEOSSOPVSA-N 1 1 418.585 4.229 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483332967 898961981 /nfs/dbraw/zinc/96/19/81/898961981.db2.gz CRSZOUFOOBXJDX-GHTZIAJQSA-N 1 1 420.513 4.307 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483343342 898974614 /nfs/dbraw/zinc/97/46/14/898974614.db2.gz ZDYSYQADCTVQOH-IRLDBZIGSA-N 1 1 404.514 4.085 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)cc1 ZINC000483506102 899167902 /nfs/dbraw/zinc/16/79/02/899167902.db2.gz UHUOVUICJCSDBK-UHFFFAOYSA-N 1 1 422.504 4.368 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483682318 899342291 /nfs/dbraw/zinc/34/22/91/899342291.db2.gz ORFMQTIHRMXGET-XMMPIXPASA-N 1 1 402.542 4.166 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349979 899899321 /nfs/dbraw/zinc/89/93/21/899899321.db2.gz KUWFACFIQHGUPB-APWZRJJASA-N 1 1 401.469 4.074 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000484533590 900019795 /nfs/dbraw/zinc/01/97/95/900019795.db2.gz JKFZKNHAOWRDFF-JOCHJYFZSA-N 1 1 413.456 4.017 20 30 HIEDMO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485144985 900444624 /nfs/dbraw/zinc/44/46/24/900444624.db2.gz JSHIYOXCEGKLOA-DENIHFKCSA-N 1 1 422.598 4.001 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841522 914493005 /nfs/dbraw/zinc/49/30/05/914493005.db2.gz WJJGEMBHZPFACD-OALUTQOASA-N 1 1 409.555 4.420 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841522 914493014 /nfs/dbraw/zinc/49/30/14/914493014.db2.gz WJJGEMBHZPFACD-OALUTQOASA-N 1 1 409.555 4.420 20 30 HIEDMO COc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1OCCCC#N ZINC000505847534 914496297 /nfs/dbraw/zinc/49/62/97/914496297.db2.gz AYQYMOQDKQSEBO-YFHOEESVSA-N 1 1 405.542 4.209 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000486273870 901456340 /nfs/dbraw/zinc/45/63/40/901456340.db2.gz ZDJSRYZJDRSIIR-ITEAAPOESA-N 1 1 412.484 4.421 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000486273870 901456355 /nfs/dbraw/zinc/45/63/55/901456355.db2.gz ZDJSRYZJDRSIIR-ITEAAPOESA-N 1 1 412.484 4.421 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000486449758 901608717 /nfs/dbraw/zinc/60/87/17/901608717.db2.gz UOIDARLTYJAFSL-DNVJHFABSA-N 1 1 400.563 4.386 20 30 HIEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(OC(F)F)c1 ZINC000486845696 901892829 /nfs/dbraw/zinc/89/28/29/901892829.db2.gz NCWLEUQVIIADJX-VGOFRKELSA-N 1 1 414.456 4.049 20 30 HIEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486857679 901902475 /nfs/dbraw/zinc/90/24/75/901902475.db2.gz RHWLTAFHPMYOEW-HYBUGGRVSA-N 1 1 400.482 4.171 20 30 HIEDMO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 ZINC000486857787 901903830 /nfs/dbraw/zinc/90/38/30/901903830.db2.gz TZKMARJYGZEABN-QFIPXVFZSA-N 1 1 403.457 4.157 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930675 914582327 /nfs/dbraw/zinc/58/23/27/914582327.db2.gz QQUHLPPHFPYTSV-FPOVZHCZSA-N 1 1 418.541 4.472 20 30 HIEDMO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000487409449 902191725 /nfs/dbraw/zinc/19/17/25/902191725.db2.gz DNBUVINSBYBQGK-SFHVURJKSA-N 1 1 412.603 4.360 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000487935047 902463817 /nfs/dbraw/zinc/46/38/17/902463817.db2.gz MANSBFXAKQMWLG-WXFUMESZSA-N 1 1 418.541 4.317 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464534 902838439 /nfs/dbraw/zinc/83/84/39/902838439.db2.gz JUSSTPXSOQBNFG-OXQOHEQNSA-N 1 1 402.523 4.133 20 30 HIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408293 903371185 /nfs/dbraw/zinc/37/11/85/903371185.db2.gz VXBLVYVGCFPGNE-CVDCTZTESA-N 1 1 405.542 4.499 20 30 HIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)C(C)(C)C)cc1 ZINC000506045251 914740711 /nfs/dbraw/zinc/74/07/11/914740711.db2.gz ARZGTOZHPQKZKI-UHFFFAOYSA-N 1 1 401.576 4.345 20 30 HIEDMO C=CCOc1ccccc1C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000506049976 914749320 /nfs/dbraw/zinc/74/93/20/914749320.db2.gz VUXITFDUSPMWER-UHFFFAOYSA-N 1 1 417.509 4.301 20 30 HIEDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(SC)cc1OC ZINC000490536337 904084416 /nfs/dbraw/zinc/08/44/16/904084416.db2.gz BHAXRYBKBULEES-UHFFFAOYSA-N 1 1 422.554 4.330 20 30 HIEDMO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H](O)COc1cccc2ccccc21 ZINC000506084305 914789392 /nfs/dbraw/zinc/78/93/92/914789392.db2.gz AUIFJJIFQHUGAD-QFIPXVFZSA-N 1 1 414.509 4.009 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000491027142 904376413 /nfs/dbraw/zinc/37/64/13/904376413.db2.gz IVVOKTMEUMQVGI-JOCHJYFZSA-N 1 1 405.542 4.086 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(OC(F)F)c1 ZINC000492331247 904835711 /nfs/dbraw/zinc/83/57/11/904835711.db2.gz RRCTUNJVELCPJY-UHFFFAOYSA-N 1 1 400.351 4.212 20 30 HIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000512400055 921135876 /nfs/dbraw/zinc/13/58/76/921135876.db2.gz OESDQXSIGNVGSC-UHFFFAOYSA-N 1 1 408.452 4.073 20 30 HIEDMO C[C@H]1[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000494016067 905355262 /nfs/dbraw/zinc/35/52/62/905355262.db2.gz HNEQHLRTCLVWSY-MBSDFSHPSA-N 1 1 415.493 4.123 20 30 HIEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417532 921145338 /nfs/dbraw/zinc/14/53/38/921145338.db2.gz ZFWXWCLMYHIQNG-QHCPKHFHSA-N 1 1 405.542 4.266 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714251 905916990 /nfs/dbraw/zinc/91/69/90/905916990.db2.gz WKAUNIMHAPAYES-KRWDZBQOSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008248 906169427 /nfs/dbraw/zinc/16/94/27/906169427.db2.gz XCHURQNCMYBWKW-VQQMMKBISA-N 1 1 424.589 4.009 20 30 HIEDMO N#Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512548931 921229495 /nfs/dbraw/zinc/22/94/95/921229495.db2.gz JRQWTTHGHJQPID-KRWDZBQOSA-N 1 1 406.383 4.112 20 30 HIEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000512663674 921280568 /nfs/dbraw/zinc/28/05/68/921280568.db2.gz OOHNKHNNCGLNRB-HSZRJFAPSA-N 1 1 414.509 4.126 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674588 921283370 /nfs/dbraw/zinc/28/33/70/921283370.db2.gz XXYRWZLRWNJBIR-GOSISDBHSA-N 1 1 411.521 4.038 20 30 HIEDMO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674588 921283375 /nfs/dbraw/zinc/28/33/75/921283375.db2.gz XXYRWZLRWNJBIR-GOSISDBHSA-N 1 1 411.521 4.038 20 30 HIEDMO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674588 921283380 /nfs/dbraw/zinc/28/33/80/921283380.db2.gz XXYRWZLRWNJBIR-GOSISDBHSA-N 1 1 411.521 4.038 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000497615534 907092974 /nfs/dbraw/zinc/09/29/74/907092974.db2.gz QNFKZPLBCOCADK-BKMJKUGQSA-N 1 1 418.537 4.070 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000497615534 907092986 /nfs/dbraw/zinc/09/29/86/907092986.db2.gz QNFKZPLBCOCADK-BKMJKUGQSA-N 1 1 418.537 4.070 20 30 HIEDMO CC(C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512811956 921318055 /nfs/dbraw/zinc/31/80/55/921318055.db2.gz NOFWPMKWSLKYNB-DEOSSOPVSA-N 1 1 409.505 4.054 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000497934211 907398123 /nfs/dbraw/zinc/39/81/23/907398123.db2.gz QMTMEHKUPKORFI-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000497934211 907398143 /nfs/dbraw/zinc/39/81/43/907398143.db2.gz QMTMEHKUPKORFI-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000497950428 907418000 /nfs/dbraw/zinc/41/80/00/907418000.db2.gz MAXFELPZOFAWAS-UHFFFAOYSA-N 1 1 402.325 4.142 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498399501 907881727 /nfs/dbraw/zinc/88/17/27/907881727.db2.gz GGQQQUGWNMNDEP-NZQKXSOJSA-N 1 1 420.513 4.065 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000498900215 908307475 /nfs/dbraw/zinc/30/74/75/908307475.db2.gz XTLGYORKJUKNQW-KRWDZBQOSA-N 1 1 409.555 4.495 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000498900215 908307489 /nfs/dbraw/zinc/30/74/89/908307489.db2.gz XTLGYORKJUKNQW-KRWDZBQOSA-N 1 1 409.555 4.495 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397243 908758947 /nfs/dbraw/zinc/75/89/47/908758947.db2.gz WSQOTQYKPIQCOD-AZUAARDMSA-N 1 1 412.331 4.042 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000499592628 908849792 /nfs/dbraw/zinc/84/97/92/908849792.db2.gz PWLMHRLZZFCAJV-RTBURBONSA-N 1 1 406.530 4.278 20 30 HIEDMO COC(=O)C[C@](C)([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000513157497 921591268 /nfs/dbraw/zinc/59/12/68/921591268.db2.gz CBIYIZIRUFVCAR-IBGZPJMESA-N 1 1 405.267 4.028 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)CC3(C)C)sc2C1 ZINC000501774890 910829207 /nfs/dbraw/zinc/82/92/07/910829207.db2.gz LNEZGUOISDGWOX-INIZCTEOSA-N 1 1 416.635 4.125 20 30 HIEDMO CC[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000502315469 911285558 /nfs/dbraw/zinc/28/55/58/911285558.db2.gz AFBAKVGDSWCRDO-JOCHJYFZSA-N 1 1 405.542 4.185 20 30 HIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502343896 911323277 /nfs/dbraw/zinc/32/32/77/911323277.db2.gz RSRVUKQLEZRWIZ-SFHVURJKSA-N 1 1 403.461 4.052 20 30 HIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502343896 911323300 /nfs/dbraw/zinc/32/33/00/911323300.db2.gz RSRVUKQLEZRWIZ-SFHVURJKSA-N 1 1 403.461 4.052 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513258156 921662188 /nfs/dbraw/zinc/66/21/88/921662188.db2.gz VFFREVBQGRCKTG-JTSKRJEESA-N 1 1 408.546 4.035 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)nc1 ZINC000513260534 921664514 /nfs/dbraw/zinc/66/45/14/921664514.db2.gz GZWUFZSVOVWMIO-QFIPXVFZSA-N 1 1 412.493 4.140 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3Br)CC2)cc1 ZINC000502495732 911498176 /nfs/dbraw/zinc/49/81/76/911498176.db2.gz OOKDAHUURCMGCL-UHFFFAOYSA-N 1 1 410.315 4.439 20 30 HIEDMO CC(C)Oc1cccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502534582 911539596 /nfs/dbraw/zinc/53/95/96/911539596.db2.gz CJBLUBHJPUJJBS-FQEVSTJZSA-N 1 1 420.557 4.324 20 30 HIEDMO C=CCOc1cccc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1 ZINC000502646503 911683397 /nfs/dbraw/zinc/68/33/97/911683397.db2.gz GWAAQUFKSKPTCJ-UHFFFAOYSA-N 1 1 420.513 4.182 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506293437 914888811 /nfs/dbraw/zinc/88/88/11/914888811.db2.gz FTPLMUWMFUKLOJ-UHFFFAOYSA-N 1 1 417.532 4.311 20 30 HIEDMO N#CCCn1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506293437 914888812 /nfs/dbraw/zinc/88/88/12/914888812.db2.gz FTPLMUWMFUKLOJ-UHFFFAOYSA-N 1 1 417.532 4.311 20 30 HIEDMO N#CCCn1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506293437 914888813 /nfs/dbraw/zinc/88/88/13/914888813.db2.gz FTPLMUWMFUKLOJ-UHFFFAOYSA-N 1 1 417.532 4.311 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000506294120 914889924 /nfs/dbraw/zinc/88/99/24/914889924.db2.gz IJERZVCCSLNQCT-UHFFFAOYSA-N 1 1 424.552 4.043 20 30 HIEDMO N#CCCn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000506294120 914889926 /nfs/dbraw/zinc/88/99/26/914889926.db2.gz IJERZVCCSLNQCT-UHFFFAOYSA-N 1 1 424.552 4.043 20 30 HIEDMO N#CCCn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000506294120 914889933 /nfs/dbraw/zinc/88/99/33/914889933.db2.gz IJERZVCCSLNQCT-UHFFFAOYSA-N 1 1 424.552 4.043 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]3C(=O)NCc3ccco3)c2)c1 ZINC000506445119 915047210 /nfs/dbraw/zinc/04/72/10/915047210.db2.gz OBJGYMXYPJTELC-DEOSSOPVSA-N 1 1 415.493 4.011 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H]3C(=O)NCc3ccco3)c2)c1 ZINC000506445119 915047227 /nfs/dbraw/zinc/04/72/27/915047227.db2.gz OBJGYMXYPJTELC-DEOSSOPVSA-N 1 1 415.493 4.011 20 30 HIEDMO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506540112 915186155 /nfs/dbraw/zinc/18/61/55/915186155.db2.gz MUSMOAJQJKHHBD-UHFFFAOYSA-N 1 1 414.509 4.285 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562836 915210835 /nfs/dbraw/zinc/21/08/35/915210835.db2.gz QAVPEHWXQZXLAP-HUUCEWRRSA-N 1 1 414.600 4.409 20 30 HIEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417334 921785965 /nfs/dbraw/zinc/78/59/65/921785965.db2.gz VEXRVXJDARTQTG-GOSISDBHSA-N 1 1 413.905 4.092 20 30 HIEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1F ZINC000507200922 915951228 /nfs/dbraw/zinc/95/12/28/915951228.db2.gz FHEXYOAIWYLVJP-UHFFFAOYSA-N 1 1 405.395 4.111 20 30 HIEDMO COc1ccccc1C[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218737 915969270 /nfs/dbraw/zinc/96/92/70/915969270.db2.gz LXGAGQPJXDIPDR-CJFMBICVSA-N 1 1 407.558 4.183 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225924 915979250 /nfs/dbraw/zinc/97/92/50/915979250.db2.gz ACHKRCZPVAUWSK-RDPSFJRHSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225924 915979259 /nfs/dbraw/zinc/97/92/59/915979259.db2.gz ACHKRCZPVAUWSK-RDPSFJRHSA-N 1 1 405.542 4.184 20 30 HIEDMO C=C[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241481 916001542 /nfs/dbraw/zinc/00/15/42/916001542.db2.gz YLQBFPPCFJFYQW-ZCYQVOJMSA-N 1 1 418.581 4.391 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507251348 916013266 /nfs/dbraw/zinc/01/32/66/916013266.db2.gz IPYWFDRTALIVEO-SFHVURJKSA-N 1 1 424.520 4.046 20 30 HIEDMO Cc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1-c1cccc(C#N)c1 ZINC000507302888 916066489 /nfs/dbraw/zinc/06/64/89/916066489.db2.gz JTXACHQNLZOGLT-LJQANCHMSA-N 1 1 419.573 4.169 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507785859 916568981 /nfs/dbraw/zinc/56/89/81/916568981.db2.gz VMBDEIHZPZDDRB-HNNXBMFYSA-N 1 1 415.440 4.030 20 30 HIEDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507822778 916623133 /nfs/dbraw/zinc/62/31/33/916623133.db2.gz JFGXOBKHNBJRDR-QGZVFWFLSA-N 1 1 411.933 4.274 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998158 916839536 /nfs/dbraw/zinc/83/95/36/916839536.db2.gz KEEUKXICLJYERS-HXUWFJFHSA-N 1 1 409.530 4.204 20 30 HIEDMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2F)c1C)Cc1ccc(C#N)cc1 ZINC000508529032 917310756 /nfs/dbraw/zinc/31/07/56/917310756.db2.gz QDTDUWXRNWAKJS-UHFFFAOYSA-N 1 1 410.468 4.288 20 30 HIEDMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2F)c1C)Cc1ccc(C#N)cc1 ZINC000508529032 917310772 /nfs/dbraw/zinc/31/07/72/917310772.db2.gz QDTDUWXRNWAKJS-UHFFFAOYSA-N 1 1 410.468 4.288 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508587741 917360190 /nfs/dbraw/zinc/36/01/90/917360190.db2.gz LUFHFQKGEFPDKU-OAQYLSRUSA-N 1 1 417.431 4.350 20 30 HIEDMO CCOc1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601879 917371515 /nfs/dbraw/zinc/37/15/15/917371515.db2.gz BERUXQIUFRCKDA-MOPGFXCFSA-N 1 1 423.557 4.396 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000508678620 917441545 /nfs/dbraw/zinc/44/15/45/917441545.db2.gz QDCKYGVGSAYAIX-VFNZAUBDSA-N 1 1 424.589 4.071 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508793174 917549144 /nfs/dbraw/zinc/54/91/44/917549144.db2.gz HNMLZFDYIXBPJZ-QZTJIDSGSA-N 1 1 417.985 4.426 20 30 HIEDMO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508793179 917549305 /nfs/dbraw/zinc/54/93/05/917549305.db2.gz HNMLZFDYIXBPJZ-ZWKOTPCHSA-N 1 1 417.985 4.426 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508810837 917565584 /nfs/dbraw/zinc/56/55/84/917565584.db2.gz QCHFGSCCGALCTR-GOSISDBHSA-N 1 1 423.586 4.008 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508828486 917582047 /nfs/dbraw/zinc/58/20/47/917582047.db2.gz UYGQUOUBXYDLKN-QTEQDKRBSA-N 1 1 421.589 4.231 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508828488 917582437 /nfs/dbraw/zinc/58/24/37/917582437.db2.gz UYGQUOUBXYDLKN-VIZSFHNOSA-N 1 1 421.589 4.231 20 30 HIEDMO C=CCn1c(-c2ccoc2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508889414 917644439 /nfs/dbraw/zinc/64/44/39/917644439.db2.gz SGHLGNCNAUMQMC-UHFFFAOYSA-N 1 1 403.530 4.217 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508922218 917680552 /nfs/dbraw/zinc/68/05/52/917680552.db2.gz PLWPKULSOWIMTC-SQGPQFPESA-N 1 1 415.969 4.098 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000508922217 917681176 /nfs/dbraw/zinc/68/11/76/917681176.db2.gz PLWPKULSOWIMTC-ABSDTBQOSA-N 1 1 415.969 4.098 20 30 HIEDMO C=CCn1c(C)nnc1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000508945941 917703733 /nfs/dbraw/zinc/70/37/33/917703733.db2.gz OYXWOWMSKAYXOJ-JOCHJYFZSA-N 1 1 407.949 4.338 20 30 HIEDMO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000509073319 917818797 /nfs/dbraw/zinc/81/87/97/917818797.db2.gz ZZTKIMNBIVKLJA-LPHOPBHVSA-N 1 1 422.392 4.116 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000509073319 917818801 /nfs/dbraw/zinc/81/88/01/917818801.db2.gz ZZTKIMNBIVKLJA-LPHOPBHVSA-N 1 1 422.392 4.116 20 30 HIEDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000510035788 918608092 /nfs/dbraw/zinc/60/80/92/918608092.db2.gz OVPSORUKSLFMGE-FQEVSTJZSA-N 1 1 400.910 4.043 20 30 HIEDMO C=CCOc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000510209243 918758459 /nfs/dbraw/zinc/75/84/59/918758459.db2.gz GKOSNZOIIPSOCG-PZJWPPBQSA-N 1 1 408.542 4.291 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510422570 918888685 /nfs/dbraw/zinc/88/86/85/918888685.db2.gz AVADSSRXBWCHKV-IRLDBZIGSA-N 1 1 415.541 4.235 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510871032 919364018 /nfs/dbraw/zinc/36/40/18/919364018.db2.gz BJEONQZRAVPAEC-UHFFFAOYSA-N 1 1 412.921 4.350 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510871032 919364039 /nfs/dbraw/zinc/36/40/39/919364039.db2.gz 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N#Cc1cccc(C2(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)c1 ZINC000511817760 920512876 /nfs/dbraw/zinc/51/28/76/920512876.db2.gz OZHYRDUJCVWBAE-IZZNHLLZSA-N 1 1 421.544 4.374 20 30 HIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000512181395 920922563 /nfs/dbraw/zinc/92/25/63/920922563.db2.gz BLGRTUBNFOKGSB-LJQANCHMSA-N 1 1 404.510 4.319 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000512290586 921043986 /nfs/dbraw/zinc/04/39/86/921043986.db2.gz ZRGDLUXXHDMMQM-IECBHUPTSA-N 1 1 409.578 4.240 20 30 HIEDMO O=C(C[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)NCC(F)(F)F ZINC000512293613 921048442 /nfs/dbraw/zinc/04/84/42/921048442.db2.gz GIHUZYJLHREGNB-INIZCTEOSA-N 1 1 408.317 4.202 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666872 921989910 /nfs/dbraw/zinc/98/99/10/921989910.db2.gz PUDISPTUFCWTBG-SIBVEZHUSA-N 1 1 411.505 4.472 20 30 HIEDMO 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/nfs/dbraw/zinc/86/68/75/931866875.db2.gz AJHXNQAAUMPQTR-KRWDZBQOSA-N 1 1 411.933 4.262 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000533433769 931867114 /nfs/dbraw/zinc/86/71/14/931867114.db2.gz AJHXNQAAUMPQTR-QGZVFWFLSA-N 1 1 411.933 4.262 20 30 HIEDMO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccc(Br)cc1 ZINC000533886886 932081333 /nfs/dbraw/zinc/08/13/33/932081333.db2.gz CGZMLXCJTMDTJN-INIZCTEOSA-N 1 1 407.381 4.470 20 30 HIEDMO C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000533936331 932110268 /nfs/dbraw/zinc/11/02/68/932110268.db2.gz AYQYYUQCMCTQNL-WMZHIEFXSA-N 1 1 405.542 4.151 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534195242 932325140 /nfs/dbraw/zinc/32/51/40/932325140.db2.gz DTHKZCSPYYOQNZ-NHCUHLMSSA-N 1 1 417.985 4.013 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)sc2C1 ZINC000534512900 932540785 /nfs/dbraw/zinc/54/07/85/932540785.db2.gz IHWBAYHVBXZYMV-CQSZACIVSA-N 1 1 424.526 4.040 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)sc2C1 ZINC000534512900 932540789 /nfs/dbraw/zinc/54/07/89/932540789.db2.gz IHWBAYHVBXZYMV-CQSZACIVSA-N 1 1 424.526 4.040 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689553 932660918 /nfs/dbraw/zinc/66/09/18/932660918.db2.gz AZUQYFOSPWMESB-INIZCTEOSA-N 1 1 415.946 4.244 20 30 HIEDMO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC2 ZINC000534837915 932801834 /nfs/dbraw/zinc/80/18/34/932801834.db2.gz SPALCFYATONTTA-UHFFFAOYSA-N 1 1 420.557 4.140 20 30 HIEDMO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC2 ZINC000534837915 932801836 /nfs/dbraw/zinc/80/18/36/932801836.db2.gz SPALCFYATONTTA-UHFFFAOYSA-N 1 1 420.557 4.140 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983995 932875601 /nfs/dbraw/zinc/87/56/01/932875601.db2.gz SAATXYQKXFHLPU-UHFFFAOYSA-N 1 1 417.553 4.230 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535678297 933330134 /nfs/dbraw/zinc/33/01/34/933330134.db2.gz XXOZLDMYQCZNOQ-OXJNMPFZSA-N 1 1 400.885 4.474 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000562580126 945102924 /nfs/dbraw/zinc/10/29/24/945102924.db2.gz YBJKWABWGHFXHL-GHTZIAJQSA-N 1 1 404.432 4.272 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000562580129 945103827 /nfs/dbraw/zinc/10/38/27/945103827.db2.gz YBJKWABWGHFXHL-WIYYLYMNSA-N 1 1 404.432 4.272 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000537526135 938316238 /nfs/dbraw/zinc/31/62/38/938316238.db2.gz UFVHGTKYEOVBHD-JOCHJYFZSA-N 1 1 412.578 4.311 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000537526136 938316257 /nfs/dbraw/zinc/31/62/57/938316257.db2.gz UFVHGTKYEOVBHD-QFIPXVFZSA-N 1 1 412.578 4.311 20 30 HIEDMO C[C@H](CCO)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000537854384 938391093 /nfs/dbraw/zinc/39/10/93/938391093.db2.gz HHSWQSMIMUBNPU-QGZVFWFLSA-N 1 1 411.571 4.100 20 30 HIEDMO C[C@H](CCO)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000537854384 938391097 /nfs/dbraw/zinc/39/10/97/938391097.db2.gz HHSWQSMIMUBNPU-QGZVFWFLSA-N 1 1 411.571 4.100 20 30 HIEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C3)cs1 ZINC000537895674 938403077 /nfs/dbraw/zinc/40/30/77/938403077.db2.gz AFOLAKKEWQYZLT-UHFFFAOYSA-N 1 1 408.552 4.439 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000538259149 938576473 /nfs/dbraw/zinc/57/64/73/938576473.db2.gz BDFUTFUOHYDHQT-UHFFFAOYSA-N 1 1 413.468 4.279 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688842 /nfs/dbraw/zinc/68/88/42/938688842.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688845 /nfs/dbraw/zinc/68/88/45/938688845.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688847 /nfs/dbraw/zinc/68/88/47/938688847.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 1 1 411.384 4.327 20 30 HIEDMO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739576 938697837 /nfs/dbraw/zinc/69/78/37/938697837.db2.gz AZJRYPWDYNIGHH-OAQYLSRUSA-N 1 1 412.537 4.411 20 30 HIEDMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739576 938697839 /nfs/dbraw/zinc/69/78/39/938697839.db2.gz AZJRYPWDYNIGHH-OAQYLSRUSA-N 1 1 412.537 4.411 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000538787976 938711622 /nfs/dbraw/zinc/71/16/22/938711622.db2.gz CHHHITNKZNHTJX-QFIPXVFZSA-N 1 1 419.529 4.425 20 30 HIEDMO CC[N@@H+](CCC1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098541 938802808 /nfs/dbraw/zinc/80/28/08/938802808.db2.gz UBUDYQVAKDXUMG-GOSISDBHSA-N 1 1 402.583 4.175 20 30 HIEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1F ZINC000539249921 938825876 /nfs/dbraw/zinc/82/58/76/938825876.db2.gz QJVAYAKRZZXENF-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccccc1 ZINC000539313058 938839242 /nfs/dbraw/zinc/83/92/42/938839242.db2.gz OCNZVTSGEQKPHM-QFIPXVFZSA-N 1 1 420.488 4.021 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(F)c(F)c1 ZINC000539327417 938842215 /nfs/dbraw/zinc/84/22/15/938842215.db2.gz ZLBCZFQGUUZZNS-FQEVSTJZSA-N 1 1 421.875 4.151 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000539358685 938847853 /nfs/dbraw/zinc/84/78/53/938847853.db2.gz ZFSPFECPURMIDF-IBGZPJMESA-N 1 1 410.386 4.192 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539494741 938868623 /nfs/dbraw/zinc/86/86/23/938868623.db2.gz OEOUFZXOSGJNDK-OSPHWJPCSA-N 1 1 420.534 4.411 20 30 HIEDMO CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000539499615 938869291 /nfs/dbraw/zinc/86/92/91/938869291.db2.gz IYVHWQYNJIEBJV-AREMUKBSSA-N 1 1 404.602 4.065 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539813171 938940543 /nfs/dbraw/zinc/94/05/43/938940543.db2.gz JQHSWVQAMNXYON-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539813171 938940550 /nfs/dbraw/zinc/94/05/50/938940550.db2.gz JQHSWVQAMNXYON-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942019 /nfs/dbraw/zinc/94/20/19/938942019.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1=O ZINC000540809863 939379642 /nfs/dbraw/zinc/37/96/42/939379642.db2.gz UVKHHLZAZOCBGH-MOPGFXCFSA-N 1 1 403.295 4.054 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541107239 939463040 /nfs/dbraw/zinc/46/30/40/939463040.db2.gz NCVDTHDBDICGKB-OALUTQOASA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541107239 939463042 /nfs/dbraw/zinc/46/30/42/939463042.db2.gz NCVDTHDBDICGKB-OALUTQOASA-N 1 1 406.933 4.338 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158574 939480920 /nfs/dbraw/zinc/48/09/20/939480920.db2.gz HTNFBMWOHUBGGO-GKVQRAMASA-N 1 1 402.542 4.412 20 30 HIEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000541379521 939501549 /nfs/dbraw/zinc/50/15/49/939501549.db2.gz RNQUUXXKHFPHSH-KGLIPLIRSA-N 1 1 402.589 4.265 20 30 HIEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000541589563 939561886 /nfs/dbraw/zinc/56/18/86/939561886.db2.gz CRFYGMMTIVNCRV-JOCHJYFZSA-N 1 1 413.456 4.017 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598675 939563529 /nfs/dbraw/zinc/56/35/29/939563529.db2.gz AERSFVGYJRPMHE-HXUWFJFHSA-N 1 1 419.916 4.416 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccco1 ZINC000541600758 939564772 /nfs/dbraw/zinc/56/47/72/939564772.db2.gz VBXXSBKKAIRJHY-FQEVSTJZSA-N 1 1 424.476 4.004 20 30 HIEDMO N#Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000541600910 939565309 /nfs/dbraw/zinc/56/53/09/939565309.db2.gz CSIGQIHBLJTNLT-LJQANCHMSA-N 1 1 405.889 4.107 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000542459908 939826458 /nfs/dbraw/zinc/82/64/58/939826458.db2.gz QFGHWGKCQGOAMV-IAGOWNOFSA-N 1 1 411.811 4.222 20 30 HIEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000542719664 939856490 /nfs/dbraw/zinc/85/64/90/939856490.db2.gz STPQCGUVGCMSGN-QGZVFWFLSA-N 1 1 407.823 4.235 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542881033 939864973 /nfs/dbraw/zinc/86/49/73/939864973.db2.gz KOGGMJNSFYZSIK-QGZVFWFLSA-N 1 1 410.461 4.245 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1C#N ZINC000542976484 939889998 /nfs/dbraw/zinc/88/99/98/939889998.db2.gz ZCRFRXLQXMNHGQ-XUEUYAKLSA-N 1 1 408.546 4.457 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000543363072 940042195 /nfs/dbraw/zinc/04/21/95/940042195.db2.gz UQVYCALZJNUTAZ-XXBNENTESA-N 1 1 402.542 4.285 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363322 940042592 /nfs/dbraw/zinc/04/25/92/940042592.db2.gz IOBDOUDPZPQAQY-YADARESESA-N 1 1 402.542 4.143 20 30 HIEDMO C=CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000543397105 940051004 /nfs/dbraw/zinc/05/10/04/940051004.db2.gz YXMABDYWZMLENP-SFHVURJKSA-N 1 1 405.550 4.193 20 30 HIEDMO Cc1sc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000543503204 940087666 /nfs/dbraw/zinc/08/76/66/940087666.db2.gz GAEFBDMVQPAGNW-YUNKPMOVSA-N 1 1 402.951 4.231 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nc(C)cs1 ZINC000544452912 940436964 /nfs/dbraw/zinc/43/69/64/940436964.db2.gz YMVAPLKWGNIOBC-GOSISDBHSA-N 1 1 411.531 4.062 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608617 940489583 /nfs/dbraw/zinc/48/95/83/940489583.db2.gz YXPJWMJDKMXIBH-AWEZNQCLSA-N 1 1 416.381 4.473 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000563933254 945329361 /nfs/dbraw/zinc/32/93/61/945329361.db2.gz OFQHXELYPFLLCI-KRWDZBQOSA-N 1 1 401.576 4.158 20 30 HIEDMO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)n1 ZINC000545551454 940574422 /nfs/dbraw/zinc/57/44/22/940574422.db2.gz HKBCLJWPIMBBTF-UHFFFAOYSA-N 1 1 423.860 4.097 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000549271586 941175805 /nfs/dbraw/zinc/17/58/05/941175805.db2.gz LGMXUOGYZTWPQD-GOSISDBHSA-N 1 1 418.570 4.338 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549286053 941176913 /nfs/dbraw/zinc/17/69/13/941176913.db2.gz QQYMSWPDLNWTAH-IFMALSPDSA-N 1 1 418.589 4.484 20 30 HIEDMO CC(C)N1CC[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549474175 941193898 /nfs/dbraw/zinc/19/38/98/941193898.db2.gz ZFLVLAOMKIUFMG-IRLDBZIGSA-N 1 1 423.467 4.200 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000549637177 941202317 /nfs/dbraw/zinc/20/23/17/941202317.db2.gz KSCKYCJBXZCURW-SFHVURJKSA-N 1 1 411.575 4.177 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825449 941208723 /nfs/dbraw/zinc/20/87/23/941208723.db2.gz QYXUADUJSDBZTF-SFHVURJKSA-N 1 1 403.452 4.413 20 30 HIEDMO C=CCOc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882888 941225766 /nfs/dbraw/zinc/22/57/66/941225766.db2.gz JKDKYLOEAMPKDJ-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882888 941225772 /nfs/dbraw/zinc/22/57/72/941225772.db2.gz JKDKYLOEAMPKDJ-XMMPIXPASA-N 1 1 406.570 4.270 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000551261655 941438291 /nfs/dbraw/zinc/43/82/91/941438291.db2.gz LMAHGOZCGQTVKZ-INIZCTEOSA-N 1 1 416.875 4.258 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000551261655 941438294 /nfs/dbraw/zinc/43/82/94/941438294.db2.gz LMAHGOZCGQTVKZ-INIZCTEOSA-N 1 1 416.875 4.258 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000551448277 941481269 /nfs/dbraw/zinc/48/12/69/941481269.db2.gz DPBRYGWIPISGES-UHFFFAOYSA-N 1 1 422.479 4.228 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000551448277 941481273 /nfs/dbraw/zinc/48/12/73/941481273.db2.gz DPBRYGWIPISGES-UHFFFAOYSA-N 1 1 422.479 4.228 20 30 HIEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552243085 941611988 /nfs/dbraw/zinc/61/19/88/941611988.db2.gz PPDDSGIUVAHSKH-LJQANCHMSA-N 1 1 413.529 4.214 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000552372243 941647754 /nfs/dbraw/zinc/64/77/54/941647754.db2.gz ZUHQSJNFTJLDOE-AZUAARDMSA-N 1 1 405.517 4.146 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000552372246 941647868 /nfs/dbraw/zinc/64/78/68/941647868.db2.gz ZUHQSJNFTJLDOE-UYAOXDASSA-N 1 1 405.517 4.146 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1OC ZINC000552407789 941661199 /nfs/dbraw/zinc/66/11/99/941661199.db2.gz DWEJWVWBJJGDOO-HXUWFJFHSA-N 1 1 412.368 4.253 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1OC ZINC000552407789 941661210 /nfs/dbraw/zinc/66/12/10/941661210.db2.gz DWEJWVWBJJGDOO-HXUWFJFHSA-N 1 1 412.368 4.253 20 30 HIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989504 941812536 /nfs/dbraw/zinc/81/25/36/941812536.db2.gz CFBVJTBWSDDQCL-FQEVSTJZSA-N 1 1 416.997 4.199 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)C1CC1 ZINC000553543289 941905700 /nfs/dbraw/zinc/90/57/00/941905700.db2.gz VUPKGFFIKUVKEL-UHFFFAOYSA-N 1 1 421.516 4.365 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000553899782 941994188 /nfs/dbraw/zinc/99/41/88/941994188.db2.gz RTJUENBYBOGYIS-RUZDIDTESA-N 1 1 405.542 4.059 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Oc3ccncc3C)CC2)c1 ZINC000554968174 942337356 /nfs/dbraw/zinc/33/73/56/942337356.db2.gz NHPZRNDLJMCUEI-OAQYLSRUSA-N 1 1 420.557 4.185 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987573 942344173 /nfs/dbraw/zinc/34/41/73/942344173.db2.gz FNCZNQBFJGRHCO-DNQXCXABSA-N 1 1 402.519 4.328 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555237832 942440564 /nfs/dbraw/zinc/44/05/64/942440564.db2.gz QUSJREQMTRHMMT-JSXRDJHFSA-N 1 1 401.599 4.043 20 30 HIEDMO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000555238498 942441572 /nfs/dbraw/zinc/44/15/72/942441572.db2.gz UJAUOBREEOIFMU-UHFFFAOYSA-N 1 1 421.545 4.062 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000555256012 942449103 /nfs/dbraw/zinc/44/91/03/942449103.db2.gz SAYMJKSBUJBEEK-LEWJYISDSA-N 1 1 411.594 4.323 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556954531 942978155 /nfs/dbraw/zinc/97/81/55/942978155.db2.gz BEKJQVINVXSMDD-LIRRHRJNSA-N 1 1 406.288 4.427 20 30 HIEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000557521115 943188525 /nfs/dbraw/zinc/18/85/25/943188525.db2.gz LRUPPBOWICYXMZ-FQEVSTJZSA-N 1 1 410.514 4.430 20 30 HIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccc(C#N)c1 ZINC000557782058 943290105 /nfs/dbraw/zinc/29/01/05/943290105.db2.gz JDVCNRZAIDKACG-MRXNPFEDSA-N 1 1 402.464 4.180 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000558661064 943625397 /nfs/dbraw/zinc/62/53/97/943625397.db2.gz MGUPYDQQOVJJII-UHFFFAOYSA-N 1 1 418.570 4.007 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000559056035 943817814 /nfs/dbraw/zinc/81/78/14/943817814.db2.gz LHVBEDBTUSTDFI-HNNXBMFYSA-N 1 1 416.447 4.134 20 30 HIEDMO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891606 944077534 /nfs/dbraw/zinc/07/75/34/944077534.db2.gz DGSWRXPTJVXAQG-WMZHIEFXSA-N 1 1 407.533 4.277 20 30 HIEDMO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891606 944077546 /nfs/dbraw/zinc/07/75/46/944077546.db2.gz DGSWRXPTJVXAQG-WMZHIEFXSA-N 1 1 407.533 4.277 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000560134660 944173625 /nfs/dbraw/zinc/17/36/25/944173625.db2.gz ORJAWLYIVHZMTB-LJQANCHMSA-N 1 1 423.866 4.496 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000560134660 944173626 /nfs/dbraw/zinc/17/36/26/944173626.db2.gz ORJAWLYIVHZMTB-LJQANCHMSA-N 1 1 423.866 4.496 20 30 HIEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000560554061 944252216 /nfs/dbraw/zinc/25/22/16/944252216.db2.gz QAUMDMNUFWWHOH-NRFANRHFSA-N 1 1 407.558 4.474 20 30 HIEDMO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000561057470 944420061 /nfs/dbraw/zinc/42/00/61/944420061.db2.gz SVBVLHHIGHUYCW-ZWKOTPCHSA-N 1 1 416.997 4.055 20 30 HIEDMO C=CCn1c(CC2CC2)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562027312 944901629 /nfs/dbraw/zinc/90/16/29/944901629.db2.gz HDLFNJHKEATQPK-UHFFFAOYSA-N 1 1 419.495 4.148 20 30 HIEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cc1F ZINC000562050096 944912567 /nfs/dbraw/zinc/91/25/67/944912567.db2.gz URDWSCRPIRVLHX-AWEZNQCLSA-N 1 1 404.283 4.186 20 30 HIEDMO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000565127736 945781573 /nfs/dbraw/zinc/78/15/73/945781573.db2.gz XHAYXELCRDCEGE-UHFFFAOYSA-N 1 1 403.983 4.084 20 30 HIEDMO C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)C1CC1 ZINC000565259952 945793766 /nfs/dbraw/zinc/79/37/66/945793766.db2.gz RCDUJCDMZKPKEC-UHFFFAOYSA-N 1 1 424.570 4.131 20 30 HIEDMO N#Cc1ccc2nc(NC3CC[NH+](Cc4coc(-c5ccccc5)n4)CC3)ccc2c1 ZINC000568828904 946721063 /nfs/dbraw/zinc/72/10/63/946721063.db2.gz JRVFUWRXCMSGKE-UHFFFAOYSA-N 1 1 409.493 4.838 20 30 HIEDMO COc1cc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)ccc1C#N ZINC000571458385 947656776 /nfs/dbraw/zinc/65/67/76/947656776.db2.gz BRPCZGUJXORITJ-UHFFFAOYSA-N 1 1 420.557 4.331 20 30 HIEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1F ZINC000573848686 948310452 /nfs/dbraw/zinc/31/04/52/948310452.db2.gz XVHORKGWJJVOEO-KRWDZBQOSA-N 1 1 406.383 4.112 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006530 948348390 /nfs/dbraw/zinc/34/83/90/948348390.db2.gz SUUNPIRDSQUYRP-PKTZIBPZSA-N 1 1 413.481 4.312 20 30 HIEDMO Cc1cc(N2CCC(Nc3c(Br)cc(Cl)cc3C#N)CC2)nc(C)[nH+]1 ZINC000575771818 948699871 /nfs/dbraw/zinc/69/98/71/948699871.db2.gz UTWYGXZHRSXOQN-UHFFFAOYSA-N 1 1 420.742 4.462 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000575839404 948735471 /nfs/dbraw/zinc/73/54/71/948735471.db2.gz GQDGQNYMHGJQCV-GOSISDBHSA-N 1 1 413.541 4.198 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629777 719076105 /nfs/dbraw/zinc/07/61/05/719076105.db2.gz YZQKCHIDSALNDA-APWZRJJASA-N 1 1 402.876 4.252 20 30 HIEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164655751 719317124 /nfs/dbraw/zinc/31/71/24/719317124.db2.gz XPDMVCFRUIBOMS-UHFFFAOYSA-N 1 1 408.937 4.162 20 30 HIEDMO Cc1ccc2nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c(C#N)c(Cl)c2c1 ZINC001164650989 719318222 /nfs/dbraw/zinc/31/82/22/719318222.db2.gz FHIQYIKIJQGAOT-UHFFFAOYSA-N 1 1 422.964 4.470 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(CC#N)cc2Cl)CC3)cs1 ZINC001164691273 719815037 /nfs/dbraw/zinc/81/50/37/719815037.db2.gz CQEJAMSHPUZIGL-UHFFFAOYSA-N 1 1 401.967 4.201 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@@H]2C ZINC001164861955 721005667 /nfs/dbraw/zinc/00/56/67/721005667.db2.gz RUEISKJJYLPXTQ-MRXNPFEDSA-N 1 1 406.559 4.300 20 30 HIEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C5(C#N)CCC5)cn4)CC3)C2)cc1 ZINC001164938965 721926032 /nfs/dbraw/zinc/92/60/32/721926032.db2.gz DSQNFJBRDYDOQR-UHFFFAOYSA-N 1 1 416.569 4.207 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000436043519 861332887 /nfs/dbraw/zinc/33/28/87/861332887.db2.gz SCSWWHRDVUKEMF-NRFANRHFSA-N 1 1 420.944 4.442 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000436048663 861337440 /nfs/dbraw/zinc/33/74/40/861337440.db2.gz WHUZZEJZKFIHHD-OAQYLSRUSA-N 1 1 420.944 4.442 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436256116 861566682 /nfs/dbraw/zinc/56/66/82/861566682.db2.gz XZWZJRJXEZGBTD-JOCHJYFZSA-N 1 1 408.546 4.086 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436256116 861566692 /nfs/dbraw/zinc/56/66/92/861566692.db2.gz XZWZJRJXEZGBTD-JOCHJYFZSA-N 1 1 408.546 4.086 20 30 HIEDMO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027353720 847287643 /nfs/dbraw/zinc/28/76/43/847287643.db2.gz QAWUUUJZINLRDT-HXUWFJFHSA-N 1 1 408.523 4.070 20 30 HIEDMO COc1ccccc1C[N@H+](Cc1cccs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027353720 847287655 /nfs/dbraw/zinc/28/76/55/847287655.db2.gz QAWUUUJZINLRDT-HXUWFJFHSA-N 1 1 408.523 4.070 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 ZINC000029983880 847664007 /nfs/dbraw/zinc/66/40/07/847664007.db2.gz QLSMSTAPWILLGN-UHFFFAOYSA-N 1 1 418.566 4.225 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046437128 848847958 /nfs/dbraw/zinc/84/79/58/848847958.db2.gz LBSWRQSLEPCFRX-PMACEKPBSA-N 1 1 405.542 4.220 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000046599329 848882897 /nfs/dbraw/zinc/88/28/97/848882897.db2.gz JRAGPTWIXFTAJM-CQSZACIVSA-N 1 1 412.515 4.113 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000046744109 848924479 /nfs/dbraw/zinc/92/44/79/848924479.db2.gz MEAJGKZQZKSVCD-XMMPIXPASA-N 1 1 411.505 4.142 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000052800995 849628860 /nfs/dbraw/zinc/62/88/60/849628860.db2.gz SHZQHSXWLZZJHX-UHFFFAOYSA-N 1 1 410.521 4.376 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000052800995 849628873 /nfs/dbraw/zinc/62/88/73/849628873.db2.gz SHZQHSXWLZZJHX-UHFFFAOYSA-N 1 1 410.521 4.376 20 30 HIEDMO C[N@H+](CCCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1SCC#N ZINC000053741251 849752345 /nfs/dbraw/zinc/75/23/45/849752345.db2.gz CATBREPRAKMARI-UHFFFAOYSA-N 1 1 403.935 4.295 20 30 HIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1SCC#N ZINC000053741251 849752353 /nfs/dbraw/zinc/75/23/53/849752353.db2.gz CATBREPRAKMARI-UHFFFAOYSA-N 1 1 403.935 4.295 20 30 HIEDMO CC(C)[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000054000816 849792806 /nfs/dbraw/zinc/79/28/06/849792806.db2.gz VLAOOKVIVCJNKX-QHCPKHFHSA-N 1 1 408.521 4.312 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340706 849850049 /nfs/dbraw/zinc/85/00/49/849850049.db2.gz NBCGYNUBRGKJRE-IBGZPJMESA-N 1 1 404.514 4.287 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)C[C@@H](C)O1 ZINC000055569813 850057802 /nfs/dbraw/zinc/05/78/02/850057802.db2.gz QSNTYQYHYUXGPM-RTBURBONSA-N 1 1 407.514 4.231 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000058835539 850942973 /nfs/dbraw/zinc/94/29/73/850942973.db2.gz CVABQKAUVQIMLL-HSZRJFAPSA-N 1 1 417.553 4.352 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477359 851112228 /nfs/dbraw/zinc/11/22/28/851112228.db2.gz NIQQHYMUFGHKHT-OAHLLOKOSA-N 1 1 413.905 4.395 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477359 851112238 /nfs/dbraw/zinc/11/22/38/851112238.db2.gz NIQQHYMUFGHKHT-OAHLLOKOSA-N 1 1 413.905 4.395 20 30 HIEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000063483730 851701443 /nfs/dbraw/zinc/70/14/43/851701443.db2.gz PMOQTGHCCLEVCD-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000063483730 851701449 /nfs/dbraw/zinc/70/14/49/851701449.db2.gz PMOQTGHCCLEVCD-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801496 851987106 /nfs/dbraw/zinc/98/71/06/851987106.db2.gz KKXDPZFHXKXXBP-UHFFFAOYSA-N 1 1 412.534 4.421 20 30 HIEDMO COc1ccc(CC[N@@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc2)cc1 ZINC000064807293 851989590 /nfs/dbraw/zinc/98/95/90/851989590.db2.gz AJTGNTMADYRJTD-UHFFFAOYSA-N 1 1 405.523 4.312 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000065277459 852097994 /nfs/dbraw/zinc/09/79/94/852097994.db2.gz ZDENTJLWEJPXKR-RTWAWAEBSA-N 1 1 414.347 4.183 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000106259953 852765701 /nfs/dbraw/zinc/76/57/01/852765701.db2.gz WCKTXRRTVKZUBB-OALUTQOASA-N 1 1 402.498 4.343 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107715043 852789510 /nfs/dbraw/zinc/78/95/10/852789510.db2.gz UARLQRIWGGCVPG-LJQANCHMSA-N 1 1 407.583 4.482 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000108171300 852826830 /nfs/dbraw/zinc/82/68/30/852826830.db2.gz SPZHLKJBLLYTOK-IBGZPJMESA-N 1 1 404.297 4.267 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000108171300 852826835 /nfs/dbraw/zinc/82/68/35/852826835.db2.gz SPZHLKJBLLYTOK-IBGZPJMESA-N 1 1 404.297 4.267 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000108578133 852861730 /nfs/dbraw/zinc/86/17/30/852861730.db2.gz JLIZWIOWQZELSR-UHFFFAOYSA-N 1 1 421.541 4.458 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177717 853217359 /nfs/dbraw/zinc/21/73/59/853217359.db2.gz PIAKCRAVMRPFFI-QFIPXVFZSA-N 1 1 404.539 4.133 20 30 HIEDMO C[C@H](c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000140827453 853453630 /nfs/dbraw/zinc/45/36/30/853453630.db2.gz MGJGFIXMPKPODS-GOSISDBHSA-N 1 1 410.591 4.143 20 30 HIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000216167009 853846018 /nfs/dbraw/zinc/84/60/18/853846018.db2.gz IWJRIAUXROJIKB-NSHDSACASA-N 1 1 404.146 4.437 20 30 HIEDMO Cc1cc(CN2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)no1 ZINC000216743490 853858087 /nfs/dbraw/zinc/85/80/87/853858087.db2.gz XRGLMMOCJJUOKH-UHFFFAOYSA-N 1 1 400.526 4.001 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](Nc4ccccc4)C3)sc2C1 ZINC000229550800 853892765 /nfs/dbraw/zinc/89/27/65/853892765.db2.gz WYZMUTDOIMMSMG-FUHWJXTLSA-N 1 1 408.571 4.260 20 30 HIEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237202064 853981127 /nfs/dbraw/zinc/98/11/27/853981127.db2.gz DSXWPUDDKOKLQX-UHFFFAOYSA-N 1 1 403.438 4.344 20 30 HIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237604310 854060383 /nfs/dbraw/zinc/06/03/83/854060383.db2.gz JBMBSMAXTAWBJM-KOSHJBKYSA-N 1 1 420.534 4.260 20 30 HIEDMO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000302901984 854673149 /nfs/dbraw/zinc/67/31/49/854673149.db2.gz TZSFPUWDEDKVRB-SFHVURJKSA-N 1 1 424.907 4.468 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000303279621 854848303 /nfs/dbraw/zinc/84/83/03/854848303.db2.gz IDZDONGVDRWQEJ-ZDUSSCGKSA-N 1 1 404.308 4.032 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21 ZINC000303419352 854922099 /nfs/dbraw/zinc/92/20/99/854922099.db2.gz XMQSUYCTXDNATR-UHFFFAOYSA-N 1 1 411.509 4.494 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303833731 855232424 /nfs/dbraw/zinc/23/24/24/855232424.db2.gz LYRWAQAZJPZGMX-MOPGFXCFSA-N 1 1 411.908 4.189 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303833731 855232433 /nfs/dbraw/zinc/23/24/33/855232433.db2.gz LYRWAQAZJPZGMX-MOPGFXCFSA-N 1 1 411.908 4.189 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000409470683 855496493 /nfs/dbraw/zinc/49/64/93/855496493.db2.gz UCVOUHLAOVJXQL-QGZVFWFLSA-N 1 1 424.314 4.182 20 30 HIEDMO Cc1sc(NC(=O)C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000427004003 856590547 /nfs/dbraw/zinc/59/05/47/856590547.db2.gz CJYLYDLFUJSLGX-UHFFFAOYSA-N 1 1 407.543 4.130 20 30 HIEDMO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1 ZINC000427006687 856592269 /nfs/dbraw/zinc/59/22/69/856592269.db2.gz DKHQRDVQURESQI-UHFFFAOYSA-N 1 1 404.432 4.161 20 30 HIEDMO CC[N@@H+](CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)CCC(F)(F)F ZINC000427218692 856719237 /nfs/dbraw/zinc/71/92/37/856719237.db2.gz MUGYLZSJEFAEHO-UHFFFAOYSA-N 1 1 405.420 4.355 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1OCC ZINC000428456450 857209468 /nfs/dbraw/zinc/20/94/68/857209468.db2.gz HZVRPGDXUKKHPE-FQEVSTJZSA-N 1 1 412.368 4.397 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@](CC)(CO)C2)cc1OCC ZINC000428456450 857209481 /nfs/dbraw/zinc/20/94/81/857209481.db2.gz HZVRPGDXUKKHPE-FQEVSTJZSA-N 1 1 412.368 4.397 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789594 857340530 /nfs/dbraw/zinc/34/05/30/857340530.db2.gz AHDKLXAVGQNBAB-GHTZIAJQSA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789594 857340538 /nfs/dbraw/zinc/34/05/38/857340538.db2.gz AHDKLXAVGQNBAB-GHTZIAJQSA-N 1 1 412.493 4.101 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935120 857424875 /nfs/dbraw/zinc/42/48/75/857424875.db2.gz YNRSAZGNFAVNTE-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935120 857424881 /nfs/dbraw/zinc/42/48/81/857424881.db2.gz YNRSAZGNFAVNTE-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429029035 857464364 /nfs/dbraw/zinc/46/43/64/857464364.db2.gz DGBDWXUWAVZXOC-IBGZPJMESA-N 1 1 401.601 4.063 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429029035 857464370 /nfs/dbraw/zinc/46/43/70/857464370.db2.gz DGBDWXUWAVZXOC-IBGZPJMESA-N 1 1 401.601 4.063 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429036277 857469093 /nfs/dbraw/zinc/46/90/93/857469093.db2.gz RURSKPNQVJRJAO-HSZRJFAPSA-N 1 1 422.598 4.096 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429036277 857469098 /nfs/dbraw/zinc/46/90/98/857469098.db2.gz RURSKPNQVJRJAO-HSZRJFAPSA-N 1 1 422.598 4.096 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069936 857492093 /nfs/dbraw/zinc/49/20/93/857492093.db2.gz SHPQJKWOYRKPCQ-QAPCUYQASA-N 1 1 414.456 4.192 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429260662 857579628 /nfs/dbraw/zinc/57/96/28/857579628.db2.gz NFYXNAMVQBIVPA-QFIPXVFZSA-N 1 1 405.546 4.401 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429494228 857695946 /nfs/dbraw/zinc/69/59/46/857695946.db2.gz REOPDIKCFNGZNB-QHCPKHFHSA-N 1 1 404.558 4.173 20 30 HIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429988888 857985720 /nfs/dbraw/zinc/98/57/20/857985720.db2.gz KGIXEQCHMWZKQK-IBGZPJMESA-N 1 1 407.562 4.094 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncsc3-c3ccccc3)CC2)cc1 ZINC000437643917 862973380 /nfs/dbraw/zinc/97/33/80/862973380.db2.gz UONCVHRSWOBTPE-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncsc3-c3ccccc3)CC2)cc1 ZINC000437643917 862973397 /nfs/dbraw/zinc/97/33/97/862973397.db2.gz UONCVHRSWOBTPE-UHFFFAOYSA-N 1 1 402.523 4.030 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000430110990 858036874 /nfs/dbraw/zinc/03/68/74/858036874.db2.gz MTLHKIGJLKWJFY-WBVHZDCISA-N 1 1 402.279 4.500 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000430110990 858036883 /nfs/dbraw/zinc/03/68/83/858036883.db2.gz MTLHKIGJLKWJFY-WBVHZDCISA-N 1 1 402.279 4.500 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719170 858277907 /nfs/dbraw/zinc/27/79/07/858277907.db2.gz YTZUMIGLHZOEMU-WMZOPIPTSA-N 1 1 408.468 4.081 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 ZINC000430764932 858295924 /nfs/dbraw/zinc/29/59/24/858295924.db2.gz HLCMWZFHACMDQQ-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 ZINC000430764932 858295934 /nfs/dbraw/zinc/29/59/34/858295934.db2.gz HLCMWZFHACMDQQ-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000467559545 881382761 /nfs/dbraw/zinc/38/27/61/881382761.db2.gz IQBJNIZTGQVRTO-YADARESESA-N 1 1 414.546 4.322 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c2ccc(C)cc2)cc1 ZINC000433698856 859842465 /nfs/dbraw/zinc/84/24/65/859842465.db2.gz IRXBVZJQHNCKNV-FGZHOGPDSA-N 1 1 417.534 4.421 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000434312763 860273188 /nfs/dbraw/zinc/27/31/88/860273188.db2.gz POXFITFQRJCCIT-JOCHJYFZSA-N 1 1 416.525 4.456 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882184 860532562 /nfs/dbraw/zinc/53/25/62/860532562.db2.gz APVKFVJIQBJWQD-GFCCVEGCSA-N 1 1 414.478 4.303 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886870 860536641 /nfs/dbraw/zinc/53/66/41/860536641.db2.gz NIWGTTZXNMFFRD-CQSZACIVSA-N 1 1 408.449 4.242 20 30 HIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981550 860585260 /nfs/dbraw/zinc/58/52/60/860585260.db2.gz GPTCZEGBZROMAC-HSZRJFAPSA-N 1 1 401.514 4.377 20 30 HIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986023 860587166 /nfs/dbraw/zinc/58/71/66/860587166.db2.gz FASGCMAVBWIQOZ-WZONZLPQSA-N 1 1 401.514 4.450 20 30 HIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128157 860653813 /nfs/dbraw/zinc/65/38/13/860653813.db2.gz ZNVJOQJMANWJDT-VXKWHMMOSA-N 1 1 407.562 4.418 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000435562321 860884193 /nfs/dbraw/zinc/88/41/93/860884193.db2.gz DQNFLWOWKZMLNL-GOSISDBHSA-N 1 1 400.526 4.157 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2ccc(F)cc2)c1 ZINC000467772584 881592337 /nfs/dbraw/zinc/59/23/37/881592337.db2.gz QLPSIYBPFJBATG-QFIPXVFZSA-N 1 1 412.461 4.119 20 30 HIEDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccc(C#N)cc1 ZINC000435807485 861074067 /nfs/dbraw/zinc/07/40/67/861074067.db2.gz JBFKTVWTAKNPJX-UHFFFAOYSA-N 1 1 400.526 4.333 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437828383 863175486 /nfs/dbraw/zinc/17/54/86/863175486.db2.gz LLWDTUKAOJTMGZ-OAQYLSRUSA-N 1 1 406.530 4.331 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437828282 863176205 /nfs/dbraw/zinc/17/62/05/863176205.db2.gz LLWDTUKAOJTMGZ-NRFANRHFSA-N 1 1 406.530 4.331 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cc2Cl)c1 ZINC000437966974 863337834 /nfs/dbraw/zinc/33/78/34/863337834.db2.gz XWYMODIDQVWLNO-UHFFFAOYSA-N 1 1 410.905 4.103 20 30 HIEDMO N#Cc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C(F)(F)F ZINC000438646348 864084402 /nfs/dbraw/zinc/08/44/02/864084402.db2.gz ZWZLACUGYKRBIS-UHFFFAOYSA-N 1 1 402.420 4.147 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COCc2cccs2)cc1 ZINC000438728684 864211812 /nfs/dbraw/zinc/21/18/12/864211812.db2.gz CATIALWOJMPVQS-JOCHJYFZSA-N 1 1 410.514 4.339 20 30 HIEDMO O=C(NC1CCCCC1)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438801815 864292505 /nfs/dbraw/zinc/29/25/05/864292505.db2.gz TZJMRWHQELXURM-UHFFFAOYSA-N 1 1 423.479 4.033 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438852266 864347118 /nfs/dbraw/zinc/34/71/18/864347118.db2.gz MVGHVHCCVSOBSK-WXVUKLJWSA-N 1 1 419.573 4.265 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438852266 864347133 /nfs/dbraw/zinc/34/71/33/864347133.db2.gz MVGHVHCCVSOBSK-WXVUKLJWSA-N 1 1 419.573 4.265 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000439003921 864457369 /nfs/dbraw/zinc/45/73/69/864457369.db2.gz ONSKBDHFMYHNDN-ABQRKTDGSA-N 1 1 411.590 4.202 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000439003923 864458806 /nfs/dbraw/zinc/45/88/06/864458806.db2.gz ONSKBDHFMYHNDN-LDLZHSJESA-N 1 1 411.590 4.202 20 30 HIEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011229 864463632 /nfs/dbraw/zinc/46/36/32/864463632.db2.gz YRBVLUZSUINULH-SFHVURJKSA-N 1 1 411.575 4.271 20 30 HIEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011229 864463640 /nfs/dbraw/zinc/46/36/40/864463640.db2.gz YRBVLUZSUINULH-SFHVURJKSA-N 1 1 411.575 4.271 20 30 HIEDMO CC[C@](C)(O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000439272531 864690244 /nfs/dbraw/zinc/69/02/44/864690244.db2.gz KWBATYFLOBXBJI-QHCPKHFHSA-N 1 1 411.571 4.100 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439440074 864832001 /nfs/dbraw/zinc/83/20/01/864832001.db2.gz PMYYVGRIHLEEGU-HNNXBMFYSA-N 1 1 404.967 4.083 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439440074 864832004 /nfs/dbraw/zinc/83/20/04/864832004.db2.gz PMYYVGRIHLEEGU-HNNXBMFYSA-N 1 1 404.967 4.083 20 30 HIEDMO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000439588407 864910832 /nfs/dbraw/zinc/91/08/32/864910832.db2.gz FVQSLVVOMXNQOQ-IBGZPJMESA-N 1 1 412.578 4.035 20 30 HIEDMO N#Cc1ccccc1SCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000439704904 865042418 /nfs/dbraw/zinc/04/24/18/865042418.db2.gz GWBSNLLQWPLHGD-UHFFFAOYSA-N 1 1 401.535 4.148 20 30 HIEDMO CCCc1c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440072744 865338417 /nfs/dbraw/zinc/33/84/17/865338417.db2.gz OEAOPTTUCIRAQJ-DEOSSOPVSA-N 1 1 413.525 4.300 20 30 HIEDMO CCCc1c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440072744 865338436 /nfs/dbraw/zinc/33/84/36/865338436.db2.gz OEAOPTTUCIRAQJ-DEOSSOPVSA-N 1 1 413.525 4.300 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441080997 866174411 /nfs/dbraw/zinc/17/44/11/866174411.db2.gz QRHIGDDTGJAPBA-QFIPXVFZSA-N 1 1 422.573 4.077 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cccc(Cl)c2)cc1 ZINC000443452561 868041210 /nfs/dbraw/zinc/04/12/10/868041210.db2.gz JMONNFCNUZBEQS-DHIUTWEWSA-N 1 1 411.933 4.226 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456268 868044963 /nfs/dbraw/zinc/04/49/63/868044963.db2.gz SXWRDVSZHPPSDV-XZOQPEGZSA-N 1 1 413.949 4.472 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443604396 868164118 /nfs/dbraw/zinc/16/41/18/868164118.db2.gz NYSDZMUPNDQIFD-OAHLLOKOSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443604396 868164149 /nfs/dbraw/zinc/16/41/49/868164149.db2.gz NYSDZMUPNDQIFD-OAHLLOKOSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443604395 868164546 /nfs/dbraw/zinc/16/45/46/868164546.db2.gz NYSDZMUPNDQIFD-HNNXBMFYSA-N 1 1 422.439 4.345 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443604395 868164569 /nfs/dbraw/zinc/16/45/69/868164569.db2.gz NYSDZMUPNDQIFD-HNNXBMFYSA-N 1 1 422.439 4.345 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444167017 868645776 /nfs/dbraw/zinc/64/57/76/868645776.db2.gz CXCVDWMPAAHVBQ-CTNGQTDRSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444167017 868645782 /nfs/dbraw/zinc/64/57/82/868645782.db2.gz CXCVDWMPAAHVBQ-CTNGQTDRSA-N 1 1 423.582 4.416 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000444174824 868649296 /nfs/dbraw/zinc/64/92/96/868649296.db2.gz HTIMHQMFVFRSAO-VWNXMTODSA-N 1 1 419.569 4.477 20 30 HIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000444663709 868941333 /nfs/dbraw/zinc/94/13/33/868941333.db2.gz LAIZXXMGFOUAIU-XZOQPEGZSA-N 1 1 410.583 4.174 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000444663709 868941357 /nfs/dbraw/zinc/94/13/57/868941357.db2.gz LAIZXXMGFOUAIU-XZOQPEGZSA-N 1 1 410.583 4.174 20 30 HIEDMO CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765993 868992753 /nfs/dbraw/zinc/99/27/53/868992753.db2.gz GDSIBZGPCJSZDU-UHFFFAOYSA-N 1 1 414.962 4.084 20 30 HIEDMO Cc1coc(-c2cccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000468333911 882267634 /nfs/dbraw/zinc/26/76/34/882267634.db2.gz LFNAXTKSHMIQGY-UHFFFAOYSA-N 1 1 415.497 4.262 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000446315799 870238229 /nfs/dbraw/zinc/23/82/29/870238229.db2.gz NPYIFMWKYHQKFS-UHFFFAOYSA-N 1 1 404.392 4.356 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856153 871773588 /nfs/dbraw/zinc/77/35/88/871773588.db2.gz YJIPVSLDOGQCTG-FQEVSTJZSA-N 1 1 419.422 4.253 20 30 HIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856153 871773614 /nfs/dbraw/zinc/77/36/14/871773614.db2.gz YJIPVSLDOGQCTG-FQEVSTJZSA-N 1 1 419.422 4.253 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448204510 872095317 /nfs/dbraw/zinc/09/53/17/872095317.db2.gz OHFMIJYFYGBEKK-DHLKQENFSA-N 1 1 415.537 4.226 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000448285033 872211037 /nfs/dbraw/zinc/21/10/37/872211037.db2.gz FODCSIMOSUZRPE-QFIPXVFZSA-N 1 1 405.542 4.235 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000448314961 872250946 /nfs/dbraw/zinc/25/09/46/872250946.db2.gz VSCCJLHXDTXHIK-QFIPXVFZSA-N 1 1 405.542 4.235 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448450855 872397369 /nfs/dbraw/zinc/39/73/69/872397369.db2.gz WGAYNWSWTCZFSS-YKSBVNFPSA-N 1 1 400.526 4.391 20 30 HIEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448529411 872525846 /nfs/dbraw/zinc/52/58/46/872525846.db2.gz NXMHQPLLRKJDBX-INIZCTEOSA-N 1 1 400.404 4.210 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460364372 872996650 /nfs/dbraw/zinc/99/66/50/872996650.db2.gz LGDMTCHKTRTDIG-UZUQRXQVSA-N 1 1 413.525 4.382 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460364372 872996674 /nfs/dbraw/zinc/99/66/74/872996674.db2.gz LGDMTCHKTRTDIG-UZUQRXQVSA-N 1 1 413.525 4.382 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460374709 873012393 /nfs/dbraw/zinc/01/23/93/873012393.db2.gz MBKLGEQCSSZVMQ-RDGATRHJSA-N 1 1 421.589 4.198 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460564143 873292092 /nfs/dbraw/zinc/29/20/92/873292092.db2.gz FDKDICZZYYMTPS-HXUWFJFHSA-N 1 1 415.969 4.071 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460572240 873307447 /nfs/dbraw/zinc/30/74/47/873307447.db2.gz AYDWKISIYFETAX-QUCCMNQESA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460769263 873615140 /nfs/dbraw/zinc/61/51/40/873615140.db2.gz HNZNZPUHSARGNT-WKDRNLAYSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460924040 873828108 /nfs/dbraw/zinc/82/81/08/873828108.db2.gz FOGOGWPNYZDHHJ-FPOVZHCZSA-N 1 1 404.562 4.339 20 30 HIEDMO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460946881 873845603 /nfs/dbraw/zinc/84/56/03/873845603.db2.gz PHUBYTWGDPUPRF-UHFFFAOYSA-N 1 1 419.495 4.463 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460953373 873851481 /nfs/dbraw/zinc/85/14/81/873851481.db2.gz SAMKCGHHRNPWGM-TUNNFDKTSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460955210 873852897 /nfs/dbraw/zinc/85/28/97/873852897.db2.gz DKNXNKUTQVPVGG-MSOLQXFVSA-N 1 1 415.607 4.074 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760742 882846829 /nfs/dbraw/zinc/84/68/29/882846829.db2.gz ANGPIRZITGNFQN-CVDCTZTESA-N 1 1 402.542 4.202 20 30 HIEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1 ZINC000461797608 874912439 /nfs/dbraw/zinc/91/24/39/874912439.db2.gz LFFFVHGADJFEKQ-QGZVFWFLSA-N 1 1 415.459 4.415 20 30 HIEDMO C=CCc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000468932736 882997406 /nfs/dbraw/zinc/99/74/06/882997406.db2.gz LREAFXMTJYBXGW-QFIPXVFZSA-N 1 1 408.542 4.103 20 30 HIEDMO Cc1nc(-c2cccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)cs1 ZINC000463372380 876428448 /nfs/dbraw/zinc/42/84/48/876428448.db2.gz YKBRWLGCAGPDCZ-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(-c2cccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2)cs1 ZINC000463372380 876428454 /nfs/dbraw/zinc/42/84/54/876428454.db2.gz YKBRWLGCAGPDCZ-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 ZINC000463446075 876504916 /nfs/dbraw/zinc/50/49/16/876504916.db2.gz VXDYDCRMOBPZRY-KSZLIROESA-N 1 1 401.469 4.216 20 30 HIEDMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594193 876704559 /nfs/dbraw/zinc/70/45/59/876704559.db2.gz SQIUTBYKYPNYOJ-SJORKVTESA-N 1 1 422.504 4.252 20 30 HIEDMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594193 876704578 /nfs/dbraw/zinc/70/45/78/876704578.db2.gz SQIUTBYKYPNYOJ-SJORKVTESA-N 1 1 422.504 4.252 20 30 HIEDMO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464781412 878028295 /nfs/dbraw/zinc/02/82/95/878028295.db2.gz ZEXXXPXECQWINE-SFHVURJKSA-N 1 1 411.546 4.160 20 30 HIEDMO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464781412 878028312 /nfs/dbraw/zinc/02/83/12/878028312.db2.gz ZEXXXPXECQWINE-SFHVURJKSA-N 1 1 411.546 4.160 20 30 HIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000465400404 878836659 /nfs/dbraw/zinc/83/66/59/878836659.db2.gz WUGLLVMEZGSNTB-QHCPKHFHSA-N 1 1 422.548 4.387 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000465711883 879279815 /nfs/dbraw/zinc/27/98/15/879279815.db2.gz HCUOJKUOYVUJTP-RBBKRZOGSA-N 1 1 417.488 4.301 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466015734 879697864 /nfs/dbraw/zinc/69/78/64/879697864.db2.gz JMVZPLWVSSPETR-UHFFFAOYSA-N 1 1 402.498 4.125 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466015734 879697870 /nfs/dbraw/zinc/69/78/70/879697870.db2.gz JMVZPLWVSSPETR-UHFFFAOYSA-N 1 1 402.498 4.125 20 30 HIEDMO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466187640 879882215 /nfs/dbraw/zinc/88/22/15/879882215.db2.gz HPKYIDKXUXUDRE-NRFANRHFSA-N 1 1 404.558 4.024 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000466608343 880377239 /nfs/dbraw/zinc/37/72/39/880377239.db2.gz HOYAMALCMQKKGH-CTNGQTDRSA-N 1 1 421.545 4.186 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1cccs1 ZINC000466611042 880382308 /nfs/dbraw/zinc/38/23/08/880382308.db2.gz RTPSTYNAZQBBLG-VQIMIIECSA-N 1 1 413.547 4.030 20 30 HIEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466960377 880747310 /nfs/dbraw/zinc/74/73/10/880747310.db2.gz AEIRGDDGYIFDEY-UHFFFAOYSA-N 1 1 404.967 4.341 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000503548149 912613650 /nfs/dbraw/zinc/61/36/50/912613650.db2.gz IFMVFMMRUJPTOO-UHFFFAOYSA-N 1 1 417.340 4.283 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192341 880920663 /nfs/dbraw/zinc/92/06/63/880920663.db2.gz TXKIYRGOPDCIBJ-ICSRJNTNSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192341 880920679 /nfs/dbraw/zinc/92/06/79/880920679.db2.gz TXKIYRGOPDCIBJ-ICSRJNTNSA-N 1 1 419.294 4.037 20 30 HIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469127704 883222945 /nfs/dbraw/zinc/22/29/45/883222945.db2.gz ZJIPFWBZSOFGKC-NRFANRHFSA-N 1 1 401.514 4.026 20 30 HIEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000469256538 883353291 /nfs/dbraw/zinc/35/32/91/883353291.db2.gz YERGFESSKSVVIY-LJQANCHMSA-N 1 1 400.526 4.122 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442299 883635658 /nfs/dbraw/zinc/63/56/58/883635658.db2.gz GWHSRFRKTMZKDS-MTFMMBMASA-N 1 1 410.480 4.186 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000469725897 883887871 /nfs/dbraw/zinc/88/78/71/883887871.db2.gz RAIHYWNJMCWZDI-GMAHTHKFSA-N 1 1 422.479 4.398 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000469725897 883887874 /nfs/dbraw/zinc/88/78/74/883887874.db2.gz RAIHYWNJMCWZDI-GMAHTHKFSA-N 1 1 422.479 4.398 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000470530402 884928933 /nfs/dbraw/zinc/92/89/33/884928933.db2.gz HSQDCXXGRYIPCY-NRFANRHFSA-N 1 1 415.324 4.328 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000470532741 884932603 /nfs/dbraw/zinc/93/26/03/884932603.db2.gz QHPOXKYRYNSIHW-OAQYLSRUSA-N 1 1 420.557 4.055 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)c1cccc(O)c1 ZINC000471178310 885742922 /nfs/dbraw/zinc/74/29/22/885742922.db2.gz NWOIIMKLBYIMLU-GOSISDBHSA-N 1 1 420.513 4.345 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)c1cccc(O)c1 ZINC000471178310 885742927 /nfs/dbraw/zinc/74/29/27/885742927.db2.gz NWOIIMKLBYIMLU-GOSISDBHSA-N 1 1 420.513 4.345 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000471236779 885811349 /nfs/dbraw/zinc/81/13/49/885811349.db2.gz RXBYEZZWSZZYMZ-JTSKRJEESA-N 1 1 413.610 4.082 20 30 HIEDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000471289082 885874158 /nfs/dbraw/zinc/87/41/58/885874158.db2.gz UYPQYPDYLOVVCQ-QHCPKHFHSA-N 1 1 410.521 4.125 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000504078128 912983805 /nfs/dbraw/zinc/98/38/05/912983805.db2.gz BKDLMDRQZHUJHV-JOCHJYFZSA-N 1 1 408.933 4.313 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000471930752 886724971 /nfs/dbraw/zinc/72/49/71/886724971.db2.gz QQGXODVTYGVAEI-LEWJYISDSA-N 1 1 410.905 4.320 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472365873 887202160 /nfs/dbraw/zinc/20/21/60/887202160.db2.gz DVQIGZQPNSKWKC-DEOSSOPVSA-N 1 1 404.558 4.248 20 30 HIEDMO N#CCCn1cc(C(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c2ccccc21 ZINC000472445768 887296683 /nfs/dbraw/zinc/29/66/83/887296683.db2.gz GPWQZSSUZZGINA-UHFFFAOYSA-N 1 1 406.574 4.326 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1Cl ZINC000473159593 887938911 /nfs/dbraw/zinc/93/89/11/887938911.db2.gz IFDZXIWSJQRDIM-QHCPKHFHSA-N 1 1 409.917 4.027 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1Cl ZINC000473159593 887938923 /nfs/dbraw/zinc/93/89/23/887938923.db2.gz IFDZXIWSJQRDIM-QHCPKHFHSA-N 1 1 409.917 4.027 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473437963 888157967 /nfs/dbraw/zinc/15/79/67/888157967.db2.gz BQCNTGQXEZYJRI-XMMPIXPASA-N 1 1 421.516 4.122 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473437963 888157988 /nfs/dbraw/zinc/15/79/88/888157988.db2.gz BQCNTGQXEZYJRI-XMMPIXPASA-N 1 1 421.516 4.122 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473511488 888240782 /nfs/dbraw/zinc/24/07/82/888240782.db2.gz WJBRYDJMAYYUSP-DEOSSOPVSA-N 1 1 405.567 4.165 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473758026 888550002 /nfs/dbraw/zinc/55/00/02/888550002.db2.gz XKOXDFBNYGJQDZ-XZOQPEGZSA-N 1 1 420.557 4.289 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473758026 888550012 /nfs/dbraw/zinc/55/00/12/888550012.db2.gz XKOXDFBNYGJQDZ-XZOQPEGZSA-N 1 1 420.557 4.289 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000475167914 890034741 /nfs/dbraw/zinc/03/47/41/890034741.db2.gz RMBKTHIVLLIUMO-UYAOXDASSA-N 1 1 411.590 4.246 20 30 HIEDMO CC(C)n1cc2cc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000475388920 890315568 /nfs/dbraw/zinc/31/55/68/890315568.db2.gz HOJQAFOZUBSYKE-UHFFFAOYSA-N 1 1 416.529 4.229 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578320 890507830 /nfs/dbraw/zinc/50/78/30/890507830.db2.gz ABDMSFXPSMYLHW-APWZRJJASA-N 1 1 417.962 4.058 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000476599379 891534743 /nfs/dbraw/zinc/53/47/43/891534743.db2.gz QHJSMTMCPFIKFA-XZOQPEGZSA-N 1 1 403.526 4.204 20 30 HIEDMO C=C(C)[C@H](NC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)c1ccc(F)c(F)c1 ZINC000477749303 892842481 /nfs/dbraw/zinc/84/24/81/892842481.db2.gz UYSUNFDYRONNFY-QFIPXVFZSA-N 1 1 423.548 4.362 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000477908584 892982932 /nfs/dbraw/zinc/98/29/32/892982932.db2.gz VRXOYIHKCHRHAG-HXUWFJFHSA-N 1 1 404.558 4.173 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl ZINC000478053519 893204719 /nfs/dbraw/zinc/20/47/19/893204719.db2.gz MKHSZMMTOMMRAA-UHFFFAOYSA-N 1 1 412.921 4.067 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478055530 893209608 /nfs/dbraw/zinc/20/96/08/893209608.db2.gz RPJQAXHLHPBCFI-VXKWHMMOSA-N 1 1 410.606 4.298 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478055530 893209641 /nfs/dbraw/zinc/20/96/41/893209641.db2.gz RPJQAXHLHPBCFI-VXKWHMMOSA-N 1 1 410.606 4.298 20 30 HIEDMO COc1ccc2ccccc2c1-c1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)on1 ZINC000478272519 893469369 /nfs/dbraw/zinc/46/93/69/893469369.db2.gz IBDHCHHEWAUWIJ-UHFFFAOYSA-N 1 1 409.449 4.313 20 30 HIEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000478952079 894232730 /nfs/dbraw/zinc/23/27/30/894232730.db2.gz DMCMSJLHUODWFV-UHFFFAOYSA-N 1 1 412.415 4.382 20 30 HIEDMO O=C(NC1CCCCC1)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000479001206 894271717 /nfs/dbraw/zinc/27/17/17/894271717.db2.gz OHPYPHYMRJJJTJ-UHFFFAOYSA-N 1 1 407.480 4.153 20 30 HIEDMO CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1)C(C)C ZINC000479210140 894474135 /nfs/dbraw/zinc/47/41/35/894474135.db2.gz CMXVFTWDKIRINR-UHFFFAOYSA-N 1 1 418.585 4.205 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1)C(C)C ZINC000479210140 894474143 /nfs/dbraw/zinc/47/41/43/894474143.db2.gz CMXVFTWDKIRINR-UHFFFAOYSA-N 1 1 418.585 4.205 20 30 HIEDMO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(Cl)cc3C#N)CCCC2)cc1OC ZINC000480868386 896230480 /nfs/dbraw/zinc/23/04/80/896230480.db2.gz CQCLSRLHWTWVST-UHFFFAOYSA-N 1 1 413.905 4.270 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183397 896526925 /nfs/dbraw/zinc/52/69/25/896526925.db2.gz RUFXQZWZXVREOV-ZRCGQRJVSA-N 1 1 411.615 4.151 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183397 896526946 /nfs/dbraw/zinc/52/69/46/896526946.db2.gz RUFXQZWZXVREOV-ZRCGQRJVSA-N 1 1 411.615 4.151 20 30 HIEDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3Br)ccc2NC1=O ZINC000481302132 896647281 /nfs/dbraw/zinc/64/72/81/896647281.db2.gz SVSBHVWZSOPLDK-KPZWWZAWSA-N 1 1 414.303 4.281 20 30 HIEDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000481422475 896825559 /nfs/dbraw/zinc/82/55/59/896825559.db2.gz HZDYVNXXYRPSFV-OAQYLSRUSA-N 1 1 415.522 4.214 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000481601801 896981545 /nfs/dbraw/zinc/98/15/45/896981545.db2.gz RSWUFIAUBWUJJO-FQEVSTJZSA-N 1 1 410.411 4.132 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(Cc1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481605001 896985219 /nfs/dbraw/zinc/98/52/19/896985219.db2.gz BCCQVXPNRVHJGG-QHCPKHFHSA-N 1 1 400.469 4.371 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)c1ccc(F)c(F)c1 ZINC000481606638 896986892 /nfs/dbraw/zinc/98/68/92/896986892.db2.gz AGAMQWKWLOUGMI-NRFANRHFSA-N 1 1 411.456 4.212 20 30 HIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000481832230 897201018 /nfs/dbraw/zinc/20/10/18/897201018.db2.gz ORBWNPQJMBVBRO-HNNXBMFYSA-N 1 1 406.349 4.274 20 30 HIEDMO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000481935415 897320976 /nfs/dbraw/zinc/32/09/76/897320976.db2.gz NZIZHOPHXKFMAX-UHFFFAOYSA-N 1 1 402.473 4.090 20 30 HIEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCCOC2)O1 ZINC000482446795 898010230 /nfs/dbraw/zinc/01/02/30/898010230.db2.gz CPBYCISQKCPCSN-VWLOTQADSA-N 1 1 406.526 4.297 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482969520 898602409 /nfs/dbraw/zinc/60/24/09/898602409.db2.gz FTDJWPSCVPPDIX-CYBMUJFWSA-N 1 1 406.349 4.412 20 30 HIEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1F ZINC000483234574 898878399 /nfs/dbraw/zinc/87/83/99/898878399.db2.gz KIMMEDUZGULYIM-HNNXBMFYSA-N 1 1 417.200 4.302 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ncccc3OCCCC#N)cc2)C1 ZINC000483893613 899566888 /nfs/dbraw/zinc/56/68/88/899566888.db2.gz KGSOPWACSJTIFV-IBGZPJMESA-N 1 1 421.545 4.318 20 30 HIEDMO O=C(c1ccccc1F)N(CC(F)(F)F)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483949685 899601758 /nfs/dbraw/zinc/60/17/58/899601758.db2.gz CPOWVAAMBZHYQI-UHFFFAOYSA-N 1 1 418.434 4.346 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000484081518 899714537 /nfs/dbraw/zinc/71/45/37/899714537.db2.gz PNISHOROSJHUJJ-IBGZPJMESA-N 1 1 405.395 4.169 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000484533599 900019573 /nfs/dbraw/zinc/01/95/73/900019573.db2.gz JKFZKNHAOWRDFF-QFIPXVFZSA-N 1 1 413.456 4.017 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)cc1Cl ZINC000484655077 900099735 /nfs/dbraw/zinc/09/97/35/900099735.db2.gz YOMOVCYQPQWRDW-UHFFFAOYSA-N 1 1 412.740 4.496 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000505788641 914453881 /nfs/dbraw/zinc/45/38/81/914453881.db2.gz BYXPVBPGWBNGLX-CJAUYULYSA-N 1 1 421.541 4.226 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c1C#N ZINC000485995834 901212582 /nfs/dbraw/zinc/21/25/82/901212582.db2.gz KDTRVCNFXQKSCY-UHFFFAOYSA-N 1 1 422.554 4.498 20 30 HIEDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)n2)c1 ZINC000486789304 901854974 /nfs/dbraw/zinc/85/49/74/901854974.db2.gz RHEJOMGRDJIPML-GOSISDBHSA-N 1 1 424.508 4.477 20 30 HIEDMO Clc1ccccc1C#CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486827684 901880325 /nfs/dbraw/zinc/88/03/25/901880325.db2.gz YXCOPPNHAFJKDX-AUSIDOKSSA-N 1 1 404.901 4.190 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000505930947 914582767 /nfs/dbraw/zinc/58/27/67/914582767.db2.gz USZKKKRPZZDFJW-RTBURBONSA-N 1 1 400.563 4.159 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966071 901993642 /nfs/dbraw/zinc/99/36/42/901993642.db2.gz JQXAJGCCGLOEKO-IERDGZPVSA-N 1 1 401.470 4.337 20 30 HIEDMO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487285907 902136725 /nfs/dbraw/zinc/13/67/25/902136725.db2.gz KHKBORQWQZEZJV-REWPJTCUSA-N 1 1 405.542 4.134 20 30 HIEDMO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487285904 902136933 /nfs/dbraw/zinc/13/69/33/902136933.db2.gz KHKBORQWQZEZJV-NZQKXSOJSA-N 1 1 405.542 4.134 20 30 HIEDMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000487409447 902191931 /nfs/dbraw/zinc/19/19/31/902191931.db2.gz DNBUVINSBYBQGK-GOSISDBHSA-N 1 1 412.603 4.360 20 30 HIEDMO CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000487425648 902204217 /nfs/dbraw/zinc/20/42/17/902204217.db2.gz GAWONZIPMGKANJ-OAHLLOKOSA-N 1 1 422.485 4.217 20 30 HIEDMO CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000487425648 902204228 /nfs/dbraw/zinc/20/42/28/902204228.db2.gz GAWONZIPMGKANJ-OAHLLOKOSA-N 1 1 422.485 4.217 20 30 HIEDMO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475095 902844802 /nfs/dbraw/zinc/84/48/02/902844802.db2.gz ZIKIISKNFRBNLJ-MOPGFXCFSA-N 1 1 400.309 4.243 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497992 902855836 /nfs/dbraw/zinc/85/58/36/902855836.db2.gz VFOMCHLOSBEKQW-CYBMUJFWSA-N 1 1 403.498 4.483 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488614957 902901033 /nfs/dbraw/zinc/90/10/33/902901033.db2.gz SSVZYHCGOCUBPF-VXKWHMMOSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488614957 902901042 /nfs/dbraw/zinc/90/10/42/902901042.db2.gz SSVZYHCGOCUBPF-VXKWHMMOSA-N 1 1 412.484 4.202 20 30 HIEDMO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 ZINC000490070532 903758895 /nfs/dbraw/zinc/75/88/95/903758895.db2.gz HTVNUUVVTQFSTF-MRXNPFEDSA-N 1 1 404.470 4.221 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289108 903877341 /nfs/dbraw/zinc/87/73/41/903877341.db2.gz PKDKFWRFHBIVIP-IRLDBZIGSA-N 1 1 415.509 4.269 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289108 903877342 /nfs/dbraw/zinc/87/73/42/903877342.db2.gz PKDKFWRFHBIVIP-IRLDBZIGSA-N 1 1 415.509 4.269 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506056234 914759066 /nfs/dbraw/zinc/75/90/66/914759066.db2.gz KOLYOHREPZTDEQ-IBGZPJMESA-N 1 1 418.541 4.084 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000490326695 903911792 /nfs/dbraw/zinc/91/17/92/903911792.db2.gz JLLXXXBQOYDBHF-QUCCMNQESA-N 1 1 405.395 4.068 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000490326695 903911802 /nfs/dbraw/zinc/91/18/02/903911802.db2.gz JLLXXXBQOYDBHF-QUCCMNQESA-N 1 1 405.395 4.068 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000492355502 904838890 /nfs/dbraw/zinc/83/88/90/904838890.db2.gz HNAJGAFJSXCAKG-INIZCTEOSA-N 1 1 414.351 4.018 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1)CC(F)(F)F ZINC000492482444 904855988 /nfs/dbraw/zinc/85/59/88/904855988.db2.gz HNHRQQVUCGMMOP-AWEZNQCLSA-N 1 1 404.274 4.027 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492599499 904874357 /nfs/dbraw/zinc/87/43/57/904874357.db2.gz DROPXUVGHUZJSR-KRWDZBQOSA-N 1 1 416.612 4.277 20 30 HIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812743 904911173 /nfs/dbraw/zinc/91/11/73/904911173.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812743 904911198 /nfs/dbraw/zinc/91/11/98/904911198.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812743 904911213 /nfs/dbraw/zinc/91/12/13/904911213.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 1 1 413.525 4.118 20 30 HIEDMO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000493046542 905002688 /nfs/dbraw/zinc/00/26/88/905002688.db2.gz DVTAOIRKDIIBLY-LJQANCHMSA-N 1 1 400.526 4.268 20 30 HIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1F ZINC000493888924 905248832 /nfs/dbraw/zinc/24/88/32/905248832.db2.gz QPZQIPUJLKEZOY-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1C#N ZINC000512419750 921148129 /nfs/dbraw/zinc/14/81/29/921148129.db2.gz BWZGPUUPBLGEGA-JXFKEZNVSA-N 1 1 400.567 4.046 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1C ZINC000494562477 905837532 /nfs/dbraw/zinc/83/75/32/905837532.db2.gz HBQSFPJBQAFADH-DEOSSOPVSA-N 1 1 407.558 4.069 20 30 HIEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494766508 905963241 /nfs/dbraw/zinc/96/32/41/905963241.db2.gz AAIQAVCIEOANGR-ICSRJNTNSA-N 1 1 420.557 4.049 20 30 HIEDMO C=C(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(C(C)C)c1 ZINC000512506105 921205878 /nfs/dbraw/zinc/20/58/78/921205878.db2.gz HEUWBZLSBVSPAB-UHFFFAOYSA-N 1 1 411.575 4.293 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)n1 ZINC000495495742 906486415 /nfs/dbraw/zinc/48/64/15/906486415.db2.gz WUGJDJCMXOPMER-HXUWFJFHSA-N 1 1 423.542 4.062 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274927 906647153 /nfs/dbraw/zinc/64/71/53/906647153.db2.gz ZXPOAPZMOIYTHB-ICSRJNTNSA-N 1 1 412.331 4.042 20 30 HIEDMO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1OC ZINC000512623638 921266229 /nfs/dbraw/zinc/26/62/29/921266229.db2.gz SMGPSZZLVMDTOG-UHFFFAOYSA-N 1 1 413.905 4.080 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000497419282 906892878 /nfs/dbraw/zinc/89/28/78/906892878.db2.gz PPEOFIUBGDZYJM-UHFFFAOYSA-N 1 1 413.562 4.146 20 30 HIEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1F ZINC000512655577 921276670 /nfs/dbraw/zinc/27/66/70/921276670.db2.gz VNVMSNBUCDFFIU-CQSZACIVSA-N 1 1 418.310 4.147 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000512656340 921277119 /nfs/dbraw/zinc/27/71/19/921277119.db2.gz ZDYMHMKAKAYCQX-ORAYPTAESA-N 1 1 403.404 4.145 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000497590490 907072131 /nfs/dbraw/zinc/07/21/31/907072131.db2.gz IIQBIOKZRFUFTP-CQSZACIVSA-N 1 1 407.411 4.415 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599358 907078714 /nfs/dbraw/zinc/07/87/14/907078714.db2.gz BDBDUFQGTURPTH-FQEVSTJZSA-N 1 1 405.542 4.149 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497599747 907080645 /nfs/dbraw/zinc/08/06/45/907080645.db2.gz KPXQRNAZLLLUPL-ZWKOTPCHSA-N 1 1 409.530 4.144 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498399504 907881384 /nfs/dbraw/zinc/88/13/84/907881384.db2.gz GGQQQUGWNMNDEP-REWPJTCUSA-N 1 1 420.513 4.065 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499109042 908469181 /nfs/dbraw/zinc/46/91/81/908469181.db2.gz DBHAZTHBRWZCPE-XUZZJYLKSA-N 1 1 423.605 4.462 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397244 908758660 /nfs/dbraw/zinc/75/86/60/908758660.db2.gz WSQOTQYKPIQCOD-ICSRJNTNSA-N 1 1 412.331 4.042 20 30 HIEDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499576902 908845404 /nfs/dbraw/zinc/84/54/04/908845404.db2.gz RPAAAQSSANZKPU-APWZRJJASA-N 1 1 407.352 4.311 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000499608316 908854718 /nfs/dbraw/zinc/85/47/18/908854718.db2.gz RARNYQJQKBFTPS-DLBZAZTESA-N 1 1 408.502 4.306 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1=O ZINC000499628224 908860555 /nfs/dbraw/zinc/86/05/55/908860555.db2.gz WMNPIULQJOQTNE-SWLSCSKDSA-N 1 1 406.349 4.010 20 30 HIEDMO N#Cc1ccc(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000500435891 909855945 /nfs/dbraw/zinc/85/59/45/909855945.db2.gz YBVOWCONESWMDR-UHFFFAOYSA-N 1 1 410.521 4.175 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107909 921556172 /nfs/dbraw/zinc/55/61/72/921556172.db2.gz JDKRJQROSXGYLC-ZWKOTPCHSA-N 1 1 424.524 4.001 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000501092947 910292157 /nfs/dbraw/zinc/29/21/57/910292157.db2.gz AHDQDSBOWVVFAN-HSZRJFAPSA-N 1 1 406.530 4.250 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000501569386 910675100 /nfs/dbraw/zinc/67/51/00/910675100.db2.gz SQAPLLRJPKQTAH-UHFFFAOYSA-N 1 1 416.525 4.482 20 30 HIEDMO CC(C)c1ccccc1OCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502319751 911293787 /nfs/dbraw/zinc/29/37/87/911293787.db2.gz KMYZMQYNAZFPCC-UHFFFAOYSA-N 1 1 405.542 4.185 20 30 HIEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549465 911557212 /nfs/dbraw/zinc/55/72/12/911557212.db2.gz YZZUVZAHKGSSNJ-HNNXBMFYSA-N 1 1 401.426 4.367 20 30 HIEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549465 911557231 /nfs/dbraw/zinc/55/72/31/911557231.db2.gz YZZUVZAHKGSSNJ-HNNXBMFYSA-N 1 1 401.426 4.367 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000502708892 911741900 /nfs/dbraw/zinc/74/19/00/911741900.db2.gz ZMCHQMMTEMBPST-RXVVDRJESA-N 1 1 404.539 4.241 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4ccncc4)cc3F)CC2)cc1 ZINC000506295492 914891004 /nfs/dbraw/zinc/89/10/04/914891004.db2.gz RCLYDEFQAJPNRC-UHFFFAOYSA-N 1 1 400.501 4.467 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC2)cc1 ZINC000506295492 914891005 /nfs/dbraw/zinc/89/10/05/914891005.db2.gz RCLYDEFQAJPNRC-UHFFFAOYSA-N 1 1 400.501 4.467 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC2)cc1 ZINC000506295492 914891006 /nfs/dbraw/zinc/89/10/06/914891006.db2.gz RCLYDEFQAJPNRC-UHFFFAOYSA-N 1 1 400.501 4.467 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)nc1 ZINC000506415265 915026251 /nfs/dbraw/zinc/02/62/51/915026251.db2.gz IOHLPGWEACWSMP-UHFFFAOYSA-N 1 1 423.860 4.097 20 30 HIEDMO Cc1nc(CN2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)cs1 ZINC000506668652 915345407 /nfs/dbraw/zinc/34/54/07/915345407.db2.gz KVRXMRNIOHFCRQ-UHFFFAOYSA-N 1 1 418.566 4.220 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1C ZINC000507229751 915984797 /nfs/dbraw/zinc/98/47/97/915984797.db2.gz HKCOTIODSLULJC-UHFFFAOYSA-N 1 1 408.521 4.266 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507689407 916462755 /nfs/dbraw/zinc/46/27/55/916462755.db2.gz SMEKFWWIRNPAFV-MBSDFSHPSA-N 1 1 421.541 4.322 20 30 HIEDMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800392 916585117 /nfs/dbraw/zinc/58/51/17/916585117.db2.gz AQONRYNZXRAFBH-DYESRHJHSA-N 1 1 409.555 4.215 20 30 HIEDMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CCC2 ZINC000507900270 916766218 /nfs/dbraw/zinc/76/62/18/916766218.db2.gz FZRDYNYOVVTYFK-XMMPIXPASA-N 1 1 416.525 4.147 20 30 HIEDMO Cn1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccc(C#N)cc2)n1 ZINC000507926963 916802536 /nfs/dbraw/zinc/80/25/36/916802536.db2.gz HRJNZCBVGZQUAM-JOCHJYFZSA-N 1 1 400.530 4.438 20 30 HIEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000508055770 916881598 /nfs/dbraw/zinc/88/15/98/916881598.db2.gz YJFMCXJTUXYYLO-QHCPKHFHSA-N 1 1 407.533 4.241 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](C)O1 ZINC000508080096 916899353 /nfs/dbraw/zinc/89/93/53/916899353.db2.gz SNOOLPOMRYWJBW-QZTJIDSGSA-N 1 1 423.561 4.046 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431391 917219039 /nfs/dbraw/zinc/21/90/39/917219039.db2.gz QPSJUXDXRNKXLP-MJGOQNOKSA-N 1 1 422.495 4.424 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508504739 917290150 /nfs/dbraw/zinc/29/01/50/917290150.db2.gz AJZLYZBNFRTTGJ-UWJYYQICSA-N 1 1 421.570 4.085 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508563400 917337990 /nfs/dbraw/zinc/33/79/90/917337990.db2.gz KHLYARUEQPLEOZ-JOCHJYFZSA-N 1 1 409.480 4.230 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000508699426 917460374 /nfs/dbraw/zinc/46/03/74/917460374.db2.gz PSQIOMSUGWEIAW-KRWDZBQOSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000508949321 917706445 /nfs/dbraw/zinc/70/64/45/917706445.db2.gz HDKNEKJIMKLOHZ-FQEVSTJZSA-N 1 1 418.589 4.484 20 30 HIEDMO COc1ccccc1C[N@@H+](CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000509115225 917851689 /nfs/dbraw/zinc/85/16/89/917851689.db2.gz ZAJLTULBHSDDSX-UHFFFAOYSA-N 1 1 402.494 4.140 20 30 HIEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000509366424 918031432 /nfs/dbraw/zinc/03/14/32/918031432.db2.gz OLPSIVHDNRNHCM-UHFFFAOYSA-N 1 1 408.483 4.106 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1O ZINC000509372948 918037365 /nfs/dbraw/zinc/03/73/65/918037365.db2.gz PCCOTIYAQNKRPN-KRWDZBQOSA-N 1 1 415.921 4.028 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319238 918828350 /nfs/dbraw/zinc/82/83/50/918828350.db2.gz LRJMLWBKNFELHE-MOPGFXCFSA-N 1 1 403.860 4.178 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000510806485 919282807 /nfs/dbraw/zinc/28/28/07/919282807.db2.gz KYTDETDVBBMWDJ-UHFFFAOYSA-N 1 1 404.558 4.143 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000510887887 919385431 /nfs/dbraw/zinc/38/54/31/919385431.db2.gz RWEQVTVYZZYCNW-HSZRJFAPSA-N 1 1 422.529 4.137 20 30 HIEDMO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511931743 920680661 /nfs/dbraw/zinc/68/06/61/920680661.db2.gz KBYNBOHCLOXFBT-LPHOPBHVSA-N 1 1 423.586 4.380 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673113 921995931 /nfs/dbraw/zinc/99/59/31/921995931.db2.gz XIUNNMXJMHQPJK-RLWLMLJZSA-N 1 1 404.473 4.071 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673113 921995934 /nfs/dbraw/zinc/99/59/34/921995934.db2.gz XIUNNMXJMHQPJK-RLWLMLJZSA-N 1 1 404.473 4.071 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000514511974 922664553 /nfs/dbraw/zinc/66/45/53/922664553.db2.gz OGXUCFZJUBJQKJ-QGZVFWFLSA-N 1 1 411.575 4.382 20 30 HIEDMO Cc1sc(C2([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CCC2)nc1-c1ccccc1F ZINC000514783097 922801420 /nfs/dbraw/zinc/80/14/20/922801420.db2.gz JTKITPHWFURPRI-OAQYLSRUSA-N 1 1 414.550 4.281 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000514820151 922813675 /nfs/dbraw/zinc/81/36/75/922813675.db2.gz NONGOPFTNNXBDW-QFIPXVFZSA-N 1 1 402.498 4.098 20 30 HIEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000514849812 922824057 /nfs/dbraw/zinc/82/40/57/922824057.db2.gz YLMLPRSTRMTFEA-GOSISDBHSA-N 1 1 422.960 4.374 20 30 HIEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000514849812 922824066 /nfs/dbraw/zinc/82/40/66/922824066.db2.gz YLMLPRSTRMTFEA-GOSISDBHSA-N 1 1 422.960 4.374 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928404 922846645 /nfs/dbraw/zinc/84/66/45/922846645.db2.gz UNUVQJCMTAUVOX-URXFXBBRSA-N 1 1 416.481 4.113 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217534 923606224 /nfs/dbraw/zinc/60/62/24/923606224.db2.gz MNYDXVJNZUFURO-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217534 923606228 /nfs/dbraw/zinc/60/62/28/923606228.db2.gz MNYDXVJNZUFURO-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000516686128 923846000 /nfs/dbraw/zinc/84/60/00/923846000.db2.gz QKKYRMCXEQCEIZ-SFHVURJKSA-N 1 1 423.395 4.186 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435721 924184928 /nfs/dbraw/zinc/18/49/28/924184928.db2.gz QSQYRFRWPULPNR-QPPBQGQZSA-N 1 1 416.481 4.113 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000517581182 926694197 /nfs/dbraw/zinc/69/41/97/926694197.db2.gz GZDJPHNGFCWKMP-JOCHJYFZSA-N 1 1 422.548 4.328 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000517749387 926821969 /nfs/dbraw/zinc/82/19/69/926821969.db2.gz YREVHNAJVRKZDE-NRFANRHFSA-N 1 1 406.530 4.183 20 30 HIEDMO CC(C)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000517826439 926853713 /nfs/dbraw/zinc/85/37/13/926853713.db2.gz XIABZGVVTISLQT-UHFFFAOYSA-N 1 1 414.893 4.405 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000517826439 926853715 /nfs/dbraw/zinc/85/37/15/926853715.db2.gz XIABZGVVTISLQT-UHFFFAOYSA-N 1 1 414.893 4.405 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000518152685 927048933 /nfs/dbraw/zinc/04/89/33/927048933.db2.gz UDLKYTITCFWUBI-CTNGQTDRSA-N 1 1 402.546 4.015 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863322 927570692 /nfs/dbraw/zinc/57/06/92/927570692.db2.gz CWRAEPIKLLGZGB-HXUWFJFHSA-N 1 1 421.589 4.452 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000519451008 927958662 /nfs/dbraw/zinc/95/86/62/927958662.db2.gz OFZCPNPKXNPDAW-IBGZPJMESA-N 1 1 408.571 4.331 20 30 HIEDMO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000519570018 928019748 /nfs/dbraw/zinc/01/97/48/928019748.db2.gz DMNGAMRWYQJLKT-GOSISDBHSA-N 1 1 415.497 4.388 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1C ZINC000519885397 928119211 /nfs/dbraw/zinc/11/92/11/928119211.db2.gz QAPVZBGPTPDAGX-UHFFFAOYSA-N 1 1 407.562 4.027 20 30 HIEDMO CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519908866 928142586 /nfs/dbraw/zinc/14/25/86/928142586.db2.gz VEIIYGYXQGTOOA-SFHVURJKSA-N 1 1 421.310 4.110 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000520266563 928431802 /nfs/dbraw/zinc/43/18/02/928431802.db2.gz TWPAXHUVQFIPCF-QFIPXVFZSA-N 1 1 410.949 4.408 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000520266563 928431811 /nfs/dbraw/zinc/43/18/11/928431811.db2.gz TWPAXHUVQFIPCF-QFIPXVFZSA-N 1 1 410.949 4.408 20 30 HIEDMO C=CCc1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000520710397 928759932 /nfs/dbraw/zinc/75/99/32/928759932.db2.gz QSUHSVUTIPPCAX-QGZVFWFLSA-N 1 1 410.514 4.078 20 30 HIEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 ZINC000521085987 928984166 /nfs/dbraw/zinc/98/41/66/928984166.db2.gz HOCHPGXRKDUMEK-RTBURBONSA-N 1 1 421.541 4.163 20 30 HIEDMO COc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)n2)c(OC)c1 ZINC000521195830 929054304 /nfs/dbraw/zinc/05/43/04/929054304.db2.gz WIJCHVOXQRWBEW-UHFFFAOYSA-N 1 1 406.486 4.284 20 30 HIEDMO COc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)n2)c(OC)c1 ZINC000521195830 929054317 /nfs/dbraw/zinc/05/43/17/929054317.db2.gz WIJCHVOXQRWBEW-UHFFFAOYSA-N 1 1 406.486 4.284 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000521820727 929477983 /nfs/dbraw/zinc/47/79/83/929477983.db2.gz UNYVZBYNAFCAIN-UHFFFAOYSA-N 1 1 424.957 4.317 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000521851851 929501906 /nfs/dbraw/zinc/50/19/06/929501906.db2.gz OFEZYORAIMEQJD-NHCUHLMSSA-N 1 1 402.542 4.474 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+](C)C ZINC000524565483 929691915 /nfs/dbraw/zinc/69/19/15/929691915.db2.gz VOYVFPKGDYZFAH-VQIMIIECSA-N 1 1 412.559 4.371 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000525413438 930226183 /nfs/dbraw/zinc/22/61/83/930226183.db2.gz JWCQYLZZHWRYTR-IBGZPJMESA-N 1 1 406.530 4.474 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000525570773 930336740 /nfs/dbraw/zinc/33/67/40/930336740.db2.gz UDSWQXSNHHCQMA-DYESRHJHSA-N 1 1 400.544 4.134 20 30 HIEDMO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525858726 930469582 /nfs/dbraw/zinc/46/95/82/930469582.db2.gz YAEOQRGNUBKNJS-VJGHCQHZSA-N 1 1 404.558 4.143 20 30 HIEDMO C[C@@H](Cc1cccs1)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000526135721 930541863 /nfs/dbraw/zinc/54/18/63/930541863.db2.gz GSZDCGQMPMTPLX-INIZCTEOSA-N 1 1 401.963 4.397 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000530356729 930691732 /nfs/dbraw/zinc/69/17/32/930691732.db2.gz CAMPXHGENVMPCG-DHIUTWEWSA-N 1 1 418.541 4.068 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515691 930734852 /nfs/dbraw/zinc/73/48/52/930734852.db2.gz KFBHIPIITCUYOM-MJGOQNOKSA-N 1 1 418.419 4.066 20 30 HIEDMO N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000532429913 931431443 /nfs/dbraw/zinc/43/14/43/931431443.db2.gz KZSBFEYLZSVXPF-FGZHOGPDSA-N 1 1 421.566 4.083 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc2)cc1 ZINC000532437499 931433952 /nfs/dbraw/zinc/43/39/52/931433952.db2.gz KQJMULJHZCLAKZ-XZOQPEGZSA-N 1 1 420.513 4.115 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(Br)cs1 ZINC000532476987 931453460 /nfs/dbraw/zinc/45/34/60/931453460.db2.gz YIUIDCDQKNVGHB-UHFFFAOYSA-N 1 1 424.389 4.393 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768743 931627506 /nfs/dbraw/zinc/62/75/06/931627506.db2.gz DRGSNNBCADFJIT-MOPGFXCFSA-N 1 1 411.571 4.002 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CCn2cnc3ccccc3c2=O)Cc2cccc(F)c2)cc1 ZINC000533030937 931746306 /nfs/dbraw/zinc/74/63/06/931746306.db2.gz CPUXNHJSNDWXAT-UHFFFAOYSA-N 1 1 412.468 4.110 20 30 HIEDMO N#Cc1ccc(C[N@H+](CCn2cnc3ccccc3c2=O)Cc2cccc(F)c2)cc1 ZINC000533030937 931746311 /nfs/dbraw/zinc/74/63/11/931746311.db2.gz CPUXNHJSNDWXAT-UHFFFAOYSA-N 1 1 412.468 4.110 20 30 HIEDMO COc1ccc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1OCCCC#N ZINC000533213903 931811420 /nfs/dbraw/zinc/81/14/20/931811420.db2.gz KQYCARLWZLMXTR-LJQANCHMSA-N 1 1 409.530 4.383 20 30 HIEDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533260734 931821555 /nfs/dbraw/zinc/82/15/55/931821555.db2.gz LZOSXEWMPKLQMC-HSZRJFAPSA-N 1 1 420.488 4.224 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533419563 931862796 /nfs/dbraw/zinc/86/27/96/931862796.db2.gz HHHMWHFKKWQYJX-SJORKVTESA-N 1 1 403.592 4.354 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000533429270 931865909 /nfs/dbraw/zinc/86/59/09/931865909.db2.gz ACWXRULYCWMMQL-UHFFFAOYSA-N 1 1 403.486 4.110 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000533429270 931865913 /nfs/dbraw/zinc/86/59/13/931865913.db2.gz ACWXRULYCWMMQL-UHFFFAOYSA-N 1 1 403.486 4.110 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000533429887 931866213 /nfs/dbraw/zinc/86/62/13/931866213.db2.gz MRJXJVSAIBNDES-UHFFFAOYSA-N 1 1 416.319 4.133 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000533429887 931866217 /nfs/dbraw/zinc/86/62/17/931866217.db2.gz MRJXJVSAIBNDES-UHFFFAOYSA-N 1 1 416.319 4.133 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533432123 931867281 /nfs/dbraw/zinc/86/72/81/931867281.db2.gz WATJMBPVKCNSQK-DQLDELGASA-N 1 1 415.603 4.353 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491119 931883738 /nfs/dbraw/zinc/88/37/38/931883738.db2.gz KYWDIFINFPMXRU-FUHWJXTLSA-N 1 1 412.555 4.466 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491119 931883740 /nfs/dbraw/zinc/88/37/40/931883740.db2.gz KYWDIFINFPMXRU-FUHWJXTLSA-N 1 1 412.555 4.466 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534195240 932325204 /nfs/dbraw/zinc/32/52/04/932325204.db2.gz DTHKZCSPYYOQNZ-LEWJYISDSA-N 1 1 417.985 4.013 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)cc1 ZINC000534323407 932383072 /nfs/dbraw/zinc/38/30/72/932383072.db2.gz FUIWJDXPHWNRMK-DEOSSOPVSA-N 1 1 407.473 4.133 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)cc1 ZINC000534323407 932383078 /nfs/dbraw/zinc/38/30/78/932383078.db2.gz FUIWJDXPHWNRMK-DEOSSOPVSA-N 1 1 407.473 4.133 20 30 HIEDMO Cc1ccccc1-c1cnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000534530048 932547524 /nfs/dbraw/zinc/54/75/24/932547524.db2.gz HDBBKMFMKJFLFP-UHFFFAOYSA-N 1 1 400.482 4.372 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689574 932660412 /nfs/dbraw/zinc/66/04/12/932660412.db2.gz AZUQYFOSPWMESB-MRXNPFEDSA-N 1 1 415.946 4.244 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859061 932810041 /nfs/dbraw/zinc/81/00/41/932810041.db2.gz PWVBMGMUYIKCTO-NQIIRXRSSA-N 1 1 400.906 4.089 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859061 932810044 /nfs/dbraw/zinc/81/00/44/932810044.db2.gz PWVBMGMUYIKCTO-NQIIRXRSSA-N 1 1 400.906 4.089 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959158 932860248 /nfs/dbraw/zinc/86/02/48/932860248.db2.gz CYLJRBMQEBVBQF-OXQOHEQNSA-N 1 1 400.885 4.474 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965592 932864808 /nfs/dbraw/zinc/86/48/08/932864808.db2.gz XIXYVCNCMCCHEV-UHFFFAOYSA-N 1 1 404.514 4.087 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535212678 933018858 /nfs/dbraw/zinc/01/88/58/933018858.db2.gz RTLOGKRWDQRNBO-IBGZPJMESA-N 1 1 409.530 4.250 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535212678 933018862 /nfs/dbraw/zinc/01/88/62/933018862.db2.gz RTLOGKRWDQRNBO-IBGZPJMESA-N 1 1 409.530 4.250 20 30 HIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629390 933274319 /nfs/dbraw/zinc/27/43/19/933274319.db2.gz ZOTDJCDQDSZXAB-MOPGFXCFSA-N 1 1 411.521 4.280 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535680703 933333534 /nfs/dbraw/zinc/33/35/34/933333534.db2.gz OVFOTJBZRQKRAA-QRWLVFNGSA-N 1 1 416.884 4.174 20 30 HIEDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684317 933338698 /nfs/dbraw/zinc/33/86/98/933338698.db2.gz UKIXPQJLDXQBIL-FIKMYACPSA-N 1 1 414.912 4.404 20 30 HIEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cccc1-c1ccccn1 ZINC000535860282 933443080 /nfs/dbraw/zinc/44/30/80/933443080.db2.gz MJAADIMHNZWJJY-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cccc1-c1ccccn1 ZINC000535860282 933443088 /nfs/dbraw/zinc/44/30/88/933443088.db2.gz MJAADIMHNZWJJY-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537288547 933698216 /nfs/dbraw/zinc/69/82/16/933698216.db2.gz GZWYCSAWDAVRQO-MZNJEOGPSA-N 1 1 420.534 4.411 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCOCC2)sc2c1CCCCC2 ZINC000537527771 933800669 /nfs/dbraw/zinc/80/06/69/933800669.db2.gz OPXTVLDPXPCRFZ-LJQANCHMSA-N 1 1 401.576 4.108 20 30 HIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538121682 938509571 /nfs/dbraw/zinc/50/95/71/938509571.db2.gz DSRQVUPPBOFWJZ-IBGZPJMESA-N 1 1 405.395 4.169 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 ZINC000538276926 938581565 /nfs/dbraw/zinc/58/15/65/938581565.db2.gz NBAVYVSOLBQOHH-DNVCBOLYSA-N 1 1 401.507 4.136 20 30 HIEDMO N#Cc1cccc(-c2c[nH]c(CNc3cc[nH+]c4ccc(Br)cc34)n2)c1 ZINC000538492641 938634503 /nfs/dbraw/zinc/63/45/03/938634503.db2.gz BLWRKGPDZAMKNL-UHFFFAOYSA-N 1 1 404.271 4.293 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538557656 938648590 /nfs/dbraw/zinc/64/85/90/938648590.db2.gz QXHHLRGSFLLNML-LEWJYISDSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538557656 938648592 /nfs/dbraw/zinc/64/85/92/938648592.db2.gz QXHHLRGSFLLNML-LEWJYISDSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538557658 938648618 /nfs/dbraw/zinc/64/86/18/938648618.db2.gz QXHHLRGSFLLNML-NHCUHLMSSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538557658 938648620 /nfs/dbraw/zinc/64/86/20/938648620.db2.gz QXHHLRGSFLLNML-NHCUHLMSSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600929 938659067 /nfs/dbraw/zinc/65/90/67/938659067.db2.gz LSLZUSOMYLIHPJ-UGKGYDQZSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600929 938659068 /nfs/dbraw/zinc/65/90/68/938659068.db2.gz LSLZUSOMYLIHPJ-UGKGYDQZSA-N 1 1 415.896 4.070 20 30 HIEDMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739575 938697742 /nfs/dbraw/zinc/69/77/42/938697742.db2.gz AZJRYPWDYNIGHH-NRFANRHFSA-N 1 1 412.537 4.411 20 30 HIEDMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739575 938697746 /nfs/dbraw/zinc/69/77/46/938697746.db2.gz AZJRYPWDYNIGHH-NRFANRHFSA-N 1 1 412.537 4.411 20 30 HIEDMO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098542 938802756 /nfs/dbraw/zinc/80/27/56/938802756.db2.gz UBUDYQVAKDXUMG-SFHVURJKSA-N 1 1 402.583 4.175 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000539287175 938833957 /nfs/dbraw/zinc/83/39/57/938833957.db2.gz MTLGJSOZZLNKMS-CABCVRRESA-N 1 1 406.523 4.158 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)cc1 ZINC000539306128 938837925 /nfs/dbraw/zinc/83/79/25/938837925.db2.gz ILRUKJVUSAXAKP-UHFFFAOYSA-N 1 1 404.848 4.230 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)cc1 ZINC000539306128 938837926 /nfs/dbraw/zinc/83/79/26/938837926.db2.gz ILRUKJVUSAXAKP-UHFFFAOYSA-N 1 1 404.848 4.230 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539813170 938940170 /nfs/dbraw/zinc/94/01/70/938940170.db2.gz JQHSWVQAMNXYON-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539813170 938940179 /nfs/dbraw/zinc/94/01/79/938940179.db2.gz JQHSWVQAMNXYON-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832772 938951679 /nfs/dbraw/zinc/95/16/79/938951679.db2.gz ZBGKZDMISUGZFS-OAHLLOKOSA-N 1 1 421.455 4.080 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000540053926 939051773 /nfs/dbraw/zinc/05/17/73/939051773.db2.gz KAUSKKYZDPLZRV-UHFFFAOYSA-N 1 1 412.497 4.357 20 30 HIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389932 939226822 /nfs/dbraw/zinc/22/68/22/939226822.db2.gz JPKPFRJUKRABQY-HNAYVOBHSA-N 1 1 401.457 4.349 20 30 HIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000541349593 939495136 /nfs/dbraw/zinc/49/51/36/939495136.db2.gz DMZSQMHIAUYCHW-UHFFFAOYSA-N 1 1 405.523 4.185 20 30 HIEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000541379523 939501229 /nfs/dbraw/zinc/50/12/29/939501229.db2.gz RNQUUXXKHFPHSH-ZIAGYGMSSA-N 1 1 402.589 4.265 20 30 HIEDMO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691572 939605716 /nfs/dbraw/zinc/60/57/16/939605716.db2.gz STVWXQSEQLKWCP-CYBMUJFWSA-N 1 1 413.275 4.100 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541921901 939654636 /nfs/dbraw/zinc/65/46/36/939654636.db2.gz HTYGTFBWZPFOBU-WOJBJXKFSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541921901 939654637 /nfs/dbraw/zinc/65/46/37/939654637.db2.gz HTYGTFBWZPFOBU-WOJBJXKFSA-N 1 1 406.933 4.338 20 30 HIEDMO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)n2)c(Cl)c1 ZINC000542075286 939702860 /nfs/dbraw/zinc/70/28/60/939702860.db2.gz RDCMBDRPZNQIIG-HXUWFJFHSA-N 1 1 405.889 4.000 20 30 HIEDMO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)n2)c(Cl)c1 ZINC000542075286 939702862 /nfs/dbraw/zinc/70/28/62/939702862.db2.gz RDCMBDRPZNQIIG-HXUWFJFHSA-N 1 1 405.889 4.000 20 30 HIEDMO N#CCc1cccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000542229865 939765673 /nfs/dbraw/zinc/76/56/73/939765673.db2.gz CHIVSBATTQGZBY-UHFFFAOYSA-N 1 1 402.325 4.454 20 30 HIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880765 939864883 /nfs/dbraw/zinc/86/48/83/939864883.db2.gz HBPIYJUXZPKZTE-CABCVRRESA-N 1 1 409.555 4.453 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1C#N ZINC000542976482 939889902 /nfs/dbraw/zinc/88/99/02/939889902.db2.gz ZCRFRXLQXMNHGQ-BUKVSMQUSA-N 1 1 408.546 4.457 20 30 HIEDMO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543012236 939895231 /nfs/dbraw/zinc/89/52/31/939895231.db2.gz VYDOTWARYRBZOK-VGSWGCGISA-N 1 1 402.498 4.481 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000543197380 939992575 /nfs/dbraw/zinc/99/25/75/939992575.db2.gz JGOMCFNVTCOMBD-IBGZPJMESA-N 1 1 402.416 4.106 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000543245042 940007057 /nfs/dbraw/zinc/00/70/57/940007057.db2.gz LJPFFHHUMQHZBV-NRFANRHFSA-N 1 1 422.573 4.058 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000543245042 940007065 /nfs/dbraw/zinc/00/70/65/940007065.db2.gz LJPFFHHUMQHZBV-NRFANRHFSA-N 1 1 422.573 4.058 20 30 HIEDMO Cc1sc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)nc1-c1ccc(Cl)cc1 ZINC000543503740 940088432 /nfs/dbraw/zinc/08/84/32/940088432.db2.gz KJASPZXFZXTPNY-RNODOKPDSA-N 1 1 404.967 4.477 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1c(C)noc1C ZINC000543508294 940089403 /nfs/dbraw/zinc/08/94/03/940089403.db2.gz LSMGFJODPMWRGI-FQEVSTJZSA-N 1 1 423.492 4.389 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(CCCO)CC2)cc1OCC ZINC000544029544 940304629 /nfs/dbraw/zinc/30/46/29/940304629.db2.gz BPDDUQUBCFJURG-UHFFFAOYSA-N 1 1 412.368 4.397 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125633 940332516 /nfs/dbraw/zinc/33/25/16/940332516.db2.gz NIVLEVWTTRNYFU-HFRGRHLUSA-N 1 1 405.542 4.234 20 30 HIEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544227694 940360726 /nfs/dbraw/zinc/36/07/26/940360726.db2.gz NCOQLOJVKSSMAQ-QFIPXVFZSA-N 1 1 420.557 4.040 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000546001684 940672845 /nfs/dbraw/zinc/67/28/45/940672845.db2.gz GDVSWAOAMCSRKO-XMMPIXPASA-N 1 1 404.514 4.087 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000546005543 940673125 /nfs/dbraw/zinc/67/31/25/940673125.db2.gz PFUIUNXNYNLFLB-UHFFFAOYSA-N 1 1 404.514 4.087 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546919182 940913580 /nfs/dbraw/zinc/91/35/80/940913580.db2.gz JACLEJWLDXIFBP-IBGZPJMESA-N 1 1 411.509 4.089 20 30 HIEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC000547976676 941081746 /nfs/dbraw/zinc/08/17/46/941081746.db2.gz RAMZVBFKZRNBII-KRWDZBQOSA-N 1 1 407.823 4.235 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548848571 941126537 /nfs/dbraw/zinc/12/65/37/941126537.db2.gz XEKFCIVDYSZWCS-UHFFFAOYSA-N 1 1 401.624 4.258 20 30 HIEDMO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932108 941130531 /nfs/dbraw/zinc/13/05/31/941130531.db2.gz QTXCSJUOTSTZDO-OCDQVXHZSA-N 1 1 424.548 4.143 20 30 HIEDMO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932108 941130532 /nfs/dbraw/zinc/13/05/32/941130532.db2.gz QTXCSJUOTSTZDO-OCDQVXHZSA-N 1 1 424.548 4.143 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935744 941131021 /nfs/dbraw/zinc/13/10/21/941131021.db2.gz VPKYWMJWGGPABH-APWZRJJASA-N 1 1 423.479 4.385 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935744 941131022 /nfs/dbraw/zinc/13/10/22/941131022.db2.gz VPKYWMJWGGPABH-APWZRJJASA-N 1 1 423.479 4.385 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000548940234 941131431 /nfs/dbraw/zinc/13/14/31/941131431.db2.gz YGYBMLOSDWLPTF-MRXNPFEDSA-N 1 1 418.497 4.426 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000548940234 941131432 /nfs/dbraw/zinc/13/14/32/941131432.db2.gz YGYBMLOSDWLPTF-MRXNPFEDSA-N 1 1 418.497 4.426 20 30 HIEDMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000549162665 941167433 /nfs/dbraw/zinc/16/74/33/941167433.db2.gz HYYALVSZLRRPSV-FQEVSTJZSA-N 1 1 414.557 4.034 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549176726 941168696 /nfs/dbraw/zinc/16/86/96/941168696.db2.gz JEWYDXGDDHVKOA-QFIPXVFZSA-N 1 1 420.557 4.025 20 30 HIEDMO Cc1cc(-c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2CC(C)C)c(C)o1 ZINC000549441662 941190305 /nfs/dbraw/zinc/19/03/05/941190305.db2.gz TUQONFXYAYVPHK-UHFFFAOYSA-N 1 1 418.545 4.005 20 30 HIEDMO CC(C)N1CC[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000549474174 941193814 /nfs/dbraw/zinc/19/38/14/941193814.db2.gz ZFLVLAOMKIUFMG-IFMALSPDSA-N 1 1 423.467 4.200 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549690651 941204698 /nfs/dbraw/zinc/20/46/98/941204698.db2.gz IFBCUOQHXBKOKA-NHCUHLMSSA-N 1 1 408.594 4.315 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549698094 941204917 /nfs/dbraw/zinc/20/49/17/941204917.db2.gz ASGPPERSLBTEEN-MOPGFXCFSA-N 1 1 415.557 4.301 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000551672510 941523994 /nfs/dbraw/zinc/52/39/94/941523994.db2.gz AUAJKPZUHYQGKS-QGZVFWFLSA-N 1 1 413.827 4.468 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000551672510 941523997 /nfs/dbraw/zinc/52/39/97/941523997.db2.gz AUAJKPZUHYQGKS-QGZVFWFLSA-N 1 1 413.827 4.468 20 30 HIEDMO N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552114581 941587995 /nfs/dbraw/zinc/58/79/95/941587995.db2.gz QTQDLEPDSZYFSF-GOSISDBHSA-N 1 1 405.889 4.107 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 ZINC000552326142 941633123 /nfs/dbraw/zinc/63/31/23/941633123.db2.gz IPQXTHSJGNXVGD-GFCCVEGCSA-N 1 1 415.342 4.056 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000552507726 941691153 /nfs/dbraw/zinc/69/11/53/941691153.db2.gz GYNHROGYXOYEPY-QGZVFWFLSA-N 1 1 416.447 4.004 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552753158 941752895 /nfs/dbraw/zinc/75/28/95/941752895.db2.gz SWGAJRBXRGPISO-UHFFFAOYSA-N 1 1 417.509 4.324 20 30 HIEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000552753740 941752921 /nfs/dbraw/zinc/75/29/21/941752921.db2.gz QWQBMUZUTLEXCD-JOCHJYFZSA-N 1 1 413.525 4.358 20 30 HIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000553161199 941842497 /nfs/dbraw/zinc/84/24/97/941842497.db2.gz DEAFNKRJSQYTDN-LBPRGKRZSA-N 1 1 402.445 4.468 20 30 HIEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208043 941849355 /nfs/dbraw/zinc/84/93/55/941849355.db2.gz MZUIFDIZVZJQAQ-QZTJIDSGSA-N 1 1 416.997 4.055 20 30 HIEDMO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@H+](C2CCC2)C1 ZINC000553863281 941986066 /nfs/dbraw/zinc/98/60/66/941986066.db2.gz UEXDYQAOXMUWJC-LJQANCHMSA-N 1 1 403.526 4.491 20 30 HIEDMO CC[N@H+](Cc1ccc(Br)cc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000553883350 941989848 /nfs/dbraw/zinc/98/98/48/941989848.db2.gz CFLMSQDLCNCMHW-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO C=CC[N@H+](Cc1ccc(Br)cc1C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553884866 941990435 /nfs/dbraw/zinc/99/04/35/941990435.db2.gz VUTVDBAWEKMYNC-HNNXBMFYSA-N 1 1 423.318 4.046 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553884866 941990442 /nfs/dbraw/zinc/99/04/42/941990442.db2.gz VUTVDBAWEKMYNC-HNNXBMFYSA-N 1 1 423.318 4.046 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840679 942277668 /nfs/dbraw/zinc/27/76/68/942277668.db2.gz ZROAFGHNZGFKOB-ZJSXRUAMSA-N 1 1 416.481 4.113 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000554852299 942289373 /nfs/dbraw/zinc/28/93/73/942289373.db2.gz COQYZSVGSYRVDJ-HNNXBMFYSA-N 1 1 413.543 4.266 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000554921182 942320348 /nfs/dbraw/zinc/32/03/48/942320348.db2.gz LACNCGLBZBRHNL-UHFFFAOYSA-N 1 1 423.605 4.273 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000554930592 942323522 /nfs/dbraw/zinc/32/35/22/942323522.db2.gz MXKUYWXGZPZWGD-PZJWPPBQSA-N 1 1 402.546 4.188 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000555577157 942650047 /nfs/dbraw/zinc/65/00/47/942650047.db2.gz PDODNQYDEMLQJD-UHFFFAOYSA-N 1 1 416.447 4.017 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000556706484 942930130 /nfs/dbraw/zinc/93/01/30/942930130.db2.gz FDBJQSHEGXKSDY-QFIPXVFZSA-N 1 1 406.530 4.294 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000558993535 943793312 /nfs/dbraw/zinc/79/33/12/943793312.db2.gz FCSXHFGKFBLJAH-LJQANCHMSA-N 1 1 417.557 4.432 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC=C(c3ccccn3)C1)CCCCC2 ZINC000559637294 944021249 /nfs/dbraw/zinc/02/12/49/944021249.db2.gz UNMDGAQGBNFMDE-UHFFFAOYSA-N 1 1 406.555 4.402 20 30 HIEDMO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891604 944078218 /nfs/dbraw/zinc/07/82/18/944078218.db2.gz DGSWRXPTJVXAQG-AUSIDOKSSA-N 1 1 407.533 4.277 20 30 HIEDMO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891604 944078223 /nfs/dbraw/zinc/07/82/23/944078223.db2.gz DGSWRXPTJVXAQG-AUSIDOKSSA-N 1 1 407.533 4.277 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074680 944430664 /nfs/dbraw/zinc/43/06/64/944430664.db2.gz CYUNBBKJFYCRDS-JOCHJYFZSA-N 1 1 414.509 4.162 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000561206239 944514400 /nfs/dbraw/zinc/51/44/00/944514400.db2.gz OARXCLVUPQQRCP-OAHLLOKOSA-N 1 1 400.573 4.180 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000561206239 944514403 /nfs/dbraw/zinc/51/44/03/944514403.db2.gz OARXCLVUPQQRCP-OAHLLOKOSA-N 1 1 400.573 4.180 20 30 HIEDMO N#Cc1c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2cc(Cl)ccn12 ZINC000561258956 944531638 /nfs/dbraw/zinc/53/16/38/944531638.db2.gz KNZRTSILUPVOST-UHFFFAOYSA-N 1 1 405.933 4.352 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000562030993 944903995 /nfs/dbraw/zinc/90/39/95/944903995.db2.gz CHHUVWKTWFNBKF-UHFFFAOYSA-N 1 1 424.552 4.392 20 30 HIEDMO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000564384551 945546730 /nfs/dbraw/zinc/54/67/30/945546730.db2.gz QDYBWESMZQVVFT-UHFFFAOYSA-N 1 1 408.575 4.418 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564432530 945582048 /nfs/dbraw/zinc/58/20/48/945582048.db2.gz PIABLDUUEOHCDM-SFHVURJKSA-N 1 1 404.963 4.207 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564432530 945582056 /nfs/dbraw/zinc/58/20/56/945582056.db2.gz PIABLDUUEOHCDM-SFHVURJKSA-N 1 1 404.963 4.207 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2CCC2)c(OC)c1 ZINC000565433628 945827770 /nfs/dbraw/zinc/82/77/70/945827770.db2.gz YIZNHNJAMSOYLJ-UHFFFAOYSA-N 1 1 418.497 4.428 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2CCC2)c(OC)c1 ZINC000565433628 945827771 /nfs/dbraw/zinc/82/77/71/945827771.db2.gz YIZNHNJAMSOYLJ-UHFFFAOYSA-N 1 1 418.497 4.428 20 30 HIEDMO Cc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC000566649638 946066175 /nfs/dbraw/zinc/06/61/75/946066175.db2.gz LUIVTHMGGFHGDE-UHFFFAOYSA-N 1 1 419.407 4.082 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535879 947280551 /nfs/dbraw/zinc/28/05/51/947280551.db2.gz AXWXZEKHTFYJJE-RTWAWAEBSA-N 1 1 400.482 4.120 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535879 947280573 /nfs/dbraw/zinc/28/05/73/947280573.db2.gz AXWXZEKHTFYJJE-RTWAWAEBSA-N 1 1 400.482 4.120 20 30 HIEDMO N#Cc1cc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000570833704 947364303 /nfs/dbraw/zinc/36/43/03/947364303.db2.gz AORYQBFNSPXYSS-LJQANCHMSA-N 1 1 405.395 4.169 20 30 HIEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000570865276 947375297 /nfs/dbraw/zinc/37/52/97/947375297.db2.gz YJQUCENUFFWTHH-OAHLLOKOSA-N 1 1 421.385 4.200 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(c4ccccc4)CC3)sc2C1 ZINC000573026347 948062517 /nfs/dbraw/zinc/06/25/17/948062517.db2.gz BUZCVEZSUZYYQS-SFHVURJKSA-N 1 1 422.598 4.285 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573360068 948165987 /nfs/dbraw/zinc/16/59/87/948165987.db2.gz CRQQWVCQULYOLP-INIZCTEOSA-N 1 1 415.921 4.004 20 30 HIEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573360068 948166001 /nfs/dbraw/zinc/16/60/01/948166001.db2.gz CRQQWVCQULYOLP-INIZCTEOSA-N 1 1 415.921 4.004 20 30 HIEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1F ZINC000573848688 948310501 /nfs/dbraw/zinc/31/05/01/948310501.db2.gz XVHORKGWJJVOEO-QGZVFWFLSA-N 1 1 406.383 4.112 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000574240385 948395482 /nfs/dbraw/zinc/39/54/82/948395482.db2.gz LPPFIPCZFNJXKW-APWZRJJASA-N 1 1 411.477 4.003 20 30 HIEDMO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000574505234 948461098 /nfs/dbraw/zinc/46/10/98/948461098.db2.gz FIEXYXCYCJYVJB-UHFFFAOYSA-N 1 1 414.509 4.153 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)cc1 ZINC000574948908 948563663 /nfs/dbraw/zinc/56/36/63/948563663.db2.gz XFDKYLLMQZEPCL-UHFFFAOYSA-N 1 1 411.303 4.012 20 30 HIEDMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328606920 569418769 /nfs/dbraw/zinc/41/87/69/569418769.db2.gz TYPXNLORIHCVEX-RGZWJVDOSA-N 1 1 417.513 4.470 20 30 HIEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629902 719080599 /nfs/dbraw/zinc/08/05/99/719080599.db2.gz ZVNQEGFZFGKJBN-MSOLQXFVSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629040 719110443 /nfs/dbraw/zinc/11/04/43/719110443.db2.gz QNTMSCBKEVRFLX-WZONZLPQSA-N 1 1 413.481 4.115 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164844250 720659424 /nfs/dbraw/zinc/65/94/24/720659424.db2.gz ZJZBJKLVGKXBRN-GOSISDBHSA-N 1 1 414.912 4.006 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@H]2C ZINC001164862935 721017260 /nfs/dbraw/zinc/01/72/60/721017260.db2.gz RWSNRMQNUXFVQE-HNNXBMFYSA-N 1 1 408.937 4.378 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]21 ZINC001165022754 721812339 /nfs/dbraw/zinc/81/23/39/721812339.db2.gz HBPODZFIINVTID-UCLAIMLFSA-N 1 1 416.356 4.392 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]21 ZINC001165020609 721829431 /nfs/dbraw/zinc/82/94/31/721829431.db2.gz CTQHISDORWMBTO-AKCHCHLHSA-N 1 1 416.356 4.392 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@H]21 ZINC001165028953 721830245 /nfs/dbraw/zinc/83/02/45/721830245.db2.gz WAIBVYBOIRTFAW-LSBZLQRGSA-N 1 1 416.356 4.392 20 30 HIEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056260 722020741 /nfs/dbraw/zinc/02/07/41/722020741.db2.gz NPDYKMSRDDNXCY-UHFFFAOYSA-N 1 1 412.324 4.173 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000009980278 845610168 /nfs/dbraw/zinc/61/01/68/845610168.db2.gz KQDSLZJLZKMMHH-QHCPKHFHSA-N 1 1 407.514 4.178 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000009980278 845610173 /nfs/dbraw/zinc/61/01/73/845610173.db2.gz KQDSLZJLZKMMHH-QHCPKHFHSA-N 1 1 407.514 4.178 20 30 HIEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406126 846439089 /nfs/dbraw/zinc/43/90/89/846439089.db2.gz DLJZQAZKNBNCFR-SFHVURJKSA-N 1 1 410.949 4.055 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000023993013 846769309 /nfs/dbraw/zinc/76/93/09/846769309.db2.gz OSFBPHIWHHKQKT-UHFFFAOYSA-N 1 1 404.539 4.423 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000024744554 846862249 /nfs/dbraw/zinc/86/22/49/846862249.db2.gz GPAOLSXPAPYQCA-UHFFFAOYSA-N 1 1 409.530 4.008 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000024744554 846862251 /nfs/dbraw/zinc/86/22/51/846862251.db2.gz GPAOLSXPAPYQCA-UHFFFAOYSA-N 1 1 409.530 4.008 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1 ZINC000025789276 847037119 /nfs/dbraw/zinc/03/71/19/847037119.db2.gz NTOHGEYRWZWJSC-UHFFFAOYSA-N 1 1 404.514 4.469 20 30 HIEDMO N#Cc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027027520 847237546 /nfs/dbraw/zinc/23/75/46/847237546.db2.gz FGTFJOLDWORYNV-UHFFFAOYSA-N 1 1 409.533 4.425 20 30 HIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208174 847265976 /nfs/dbraw/zinc/26/59/76/847265976.db2.gz WAGQHQYDRKFRJD-DEOSSOPVSA-N 1 1 422.475 4.435 20 30 HIEDMO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000029858913 847635701 /nfs/dbraw/zinc/63/57/01/847635701.db2.gz QGDZHTRNWSTIAH-UHFFFAOYSA-N 1 1 421.303 4.155 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046129840 848787336 /nfs/dbraw/zinc/78/73/36/848787336.db2.gz XXEZEKWVNOSNLI-BGYRXZFFSA-N 1 1 404.558 4.378 20 30 HIEDMO CC(C)COc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047695468 849091832 /nfs/dbraw/zinc/09/18/32/849091832.db2.gz JCGCHMKBBPNXIU-UHFFFAOYSA-N 1 1 406.530 4.333 20 30 HIEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000051449783 849471499 /nfs/dbraw/zinc/47/14/99/849471499.db2.gz HILKXIDYYLGKFC-PZJWPPBQSA-N 1 1 415.331 4.092 20 30 HIEDMO C=CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000056739576 850459096 /nfs/dbraw/zinc/45/90/96/850459096.db2.gz XCBUYLFBJPGTMT-UHFFFAOYSA-N 1 1 401.457 4.316 20 30 HIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000058525428 850846263 /nfs/dbraw/zinc/84/62/63/850846263.db2.gz KBYOJSROPNBOPG-QFIPXVFZSA-N 1 1 405.542 4.266 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cccc2ccccc21 ZINC000058580406 850861442 /nfs/dbraw/zinc/86/14/42/850861442.db2.gz SDHQQWQPONDTBO-HXUWFJFHSA-N 1 1 412.537 4.101 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cccc2ccccc21 ZINC000058580406 850861443 /nfs/dbraw/zinc/86/14/43/850861443.db2.gz SDHQQWQPONDTBO-HXUWFJFHSA-N 1 1 412.537 4.101 20 30 HIEDMO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469493 851109219 /nfs/dbraw/zinc/10/92/19/851109219.db2.gz CCXFXQCJIZSBCO-CQSZACIVSA-N 1 1 420.376 4.424 20 30 HIEDMO C=C(C)COc1cc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)ccc1OC ZINC000060927386 851250955 /nfs/dbraw/zinc/25/09/55/851250955.db2.gz MWTQGWYOUHJLQQ-UHFFFAOYSA-N 1 1 406.408 4.001 20 30 HIEDMO C=CCOc1c(Br)cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000062427230 851550948 /nfs/dbraw/zinc/55/09/48/851550948.db2.gz MBIZWMCMGLKLAG-INIZCTEOSA-N 1 1 411.384 4.233 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000063401873 851679450 /nfs/dbraw/zinc/67/94/50/851679450.db2.gz WWXOGOLGUNUDSP-QFIPXVFZSA-N 1 1 422.529 4.129 20 30 HIEDMO N#Cc1c(Cl)nsc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097473509 852614846 /nfs/dbraw/zinc/61/48/46/852614846.db2.gz ATXKCDXPOVKATA-UHFFFAOYSA-N 1 1 400.857 4.399 20 30 HIEDMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)ccc1F ZINC000097490994 852618385 /nfs/dbraw/zinc/61/83/85/852618385.db2.gz AQNVAPWCSPCUGU-QGZVFWFLSA-N 1 1 405.477 4.329 20 30 HIEDMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CCCN(c4ccccc4C#N)CC3)n2)ccc1F ZINC000097490994 852618389 /nfs/dbraw/zinc/61/83/89/852618389.db2.gz AQNVAPWCSPCUGU-QGZVFWFLSA-N 1 1 405.477 4.329 20 30 HIEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000108891126 852889770 /nfs/dbraw/zinc/88/97/70/852889770.db2.gz HDDQEPALTJPLMB-UHFFFAOYSA-N 1 1 401.535 4.287 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000109405653 852965012 /nfs/dbraw/zinc/96/50/12/852965012.db2.gz NAOKHPVASFUANY-UHFFFAOYSA-N 1 1 421.932 4.306 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000109405653 852965016 /nfs/dbraw/zinc/96/50/16/852965016.db2.gz NAOKHPVASFUANY-UHFFFAOYSA-N 1 1 421.932 4.306 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989306 853181269 /nfs/dbraw/zinc/18/12/69/853181269.db2.gz MHSKKLFJUYCCOC-INIZCTEOSA-N 1 1 412.921 4.279 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](Nc4ccccc4)C3)sc2C1 ZINC000110991522 853182477 /nfs/dbraw/zinc/18/24/77/853182477.db2.gz WYZMUTDOIMMSMG-WMZOPIPTSA-N 1 1 408.571 4.260 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115674808 853259796 /nfs/dbraw/zinc/25/97/96/853259796.db2.gz PYNAWXURSDHIRW-IBGZPJMESA-N 1 1 411.509 4.089 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195604903 853708634 /nfs/dbraw/zinc/70/86/34/853708634.db2.gz CSZGBSZCHXFXQD-NRFANRHFSA-N 1 1 415.459 4.021 20 30 HIEDMO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000195707979 853771932 /nfs/dbraw/zinc/77/19/32/853771932.db2.gz LKZYFFJMEUPQGS-KRWDZBQOSA-N 1 1 420.376 4.055 20 30 HIEDMO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000195707979 853771937 /nfs/dbraw/zinc/77/19/37/853771937.db2.gz LKZYFFJMEUPQGS-KRWDZBQOSA-N 1 1 420.376 4.055 20 30 HIEDMO C=CCOc1ccccc1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000237461880 854037188 /nfs/dbraw/zinc/03/71/88/854037188.db2.gz GSLAOWKGZAIBCW-UHFFFAOYSA-N 1 1 424.522 4.132 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000250095958 854192905 /nfs/dbraw/zinc/19/29/05/854192905.db2.gz XVKWVRBKRNHGLN-VQIMIIECSA-N 1 1 417.962 4.058 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000261384399 854242991 /nfs/dbraw/zinc/24/29/91/854242991.db2.gz UBFLQRQXSXNKQG-GOSISDBHSA-N 1 1 401.526 4.275 20 30 HIEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1[N+](=O)[O-] ZINC000301634263 854434744 /nfs/dbraw/zinc/43/47/44/854434744.db2.gz KHBKAKPKFFOVBC-UHFFFAOYSA-N 1 1 423.473 4.051 20 30 HIEDMO CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301675304 854443034 /nfs/dbraw/zinc/44/30/34/854443034.db2.gz SASDRBRQBGLKCC-ROUUACIJSA-N 1 1 404.436 4.064 20 30 HIEDMO CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301675304 854443037 /nfs/dbraw/zinc/44/30/37/854443037.db2.gz SASDRBRQBGLKCC-ROUUACIJSA-N 1 1 404.436 4.064 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781312 854465017 /nfs/dbraw/zinc/46/50/17/854465017.db2.gz JHYATTVPTACXOC-BEFAXECRSA-N 1 1 417.479 4.412 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781312 854465020 /nfs/dbraw/zinc/46/50/20/854465020.db2.gz JHYATTVPTACXOC-BEFAXECRSA-N 1 1 417.479 4.412 20 30 HIEDMO CSc1ccc([C@@H](CNc2cnc(C#N)cn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000302241513 854556346 /nfs/dbraw/zinc/55/63/46/854556346.db2.gz OETQOGOKDBWYME-LJQANCHMSA-N 1 1 407.568 4.343 20 30 HIEDMO CSc1ccc([C@@H](CNc2cnc(C#N)cn2)[N@H+]2CCc3sccc3C2)cc1 ZINC000302241513 854556352 /nfs/dbraw/zinc/55/63/52/854556352.db2.gz OETQOGOKDBWYME-LJQANCHMSA-N 1 1 407.568 4.343 20 30 HIEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302637414 854595618 /nfs/dbraw/zinc/59/56/18/854595618.db2.gz HOQPNHWBZTWMJV-HNNXBMFYSA-N 1 1 405.433 4.037 20 30 HIEDMO C[N@@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302696220 854607341 /nfs/dbraw/zinc/60/73/41/854607341.db2.gz WLHAQGLTEVXPFM-TZIWHRDSSA-N 1 1 409.396 4.150 20 30 HIEDMO C[N@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302696220 854607345 /nfs/dbraw/zinc/60/73/45/854607345.db2.gz WLHAQGLTEVXPFM-TZIWHRDSSA-N 1 1 409.396 4.150 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1 ZINC000302896921 854669818 /nfs/dbraw/zinc/66/98/18/854669818.db2.gz JIUIJOKNGDJKDH-UHFFFAOYSA-N 1 1 413.974 4.179 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1 ZINC000302896921 854669826 /nfs/dbraw/zinc/66/98/26/854669826.db2.gz JIUIJOKNGDJKDH-UHFFFAOYSA-N 1 1 413.974 4.179 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 ZINC000303408195 854913624 /nfs/dbraw/zinc/91/36/24/854913624.db2.gz TVKKBGGXINCGMN-FQEVSTJZSA-N 1 1 422.598 4.146 20 30 HIEDMO N#CCc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303515685 855003570 /nfs/dbraw/zinc/00/35/70/855003570.db2.gz CDMBVQFZSIVJIN-IBGZPJMESA-N 1 1 402.420 4.167 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000303516529 855004326 /nfs/dbraw/zinc/00/43/26/855004326.db2.gz YADVBQFGZZOQDE-WOJBJXKFSA-N 1 1 422.598 4.083 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533821 855019736 /nfs/dbraw/zinc/01/97/36/855019736.db2.gz FGDSRRARSVGSLL-NHCUHLMSSA-N 1 1 406.574 4.324 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000437351883 862631777 /nfs/dbraw/zinc/63/17/77/862631777.db2.gz KCFARIKJJKPZLO-KKSFZXQISA-N 1 1 407.963 4.477 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000303584651 855057425 /nfs/dbraw/zinc/05/74/25/855057425.db2.gz QBERVQJLEWUWEW-XMSQKQJNSA-N 1 1 423.582 4.249 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303619479 855081625 /nfs/dbraw/zinc/08/16/25/855081625.db2.gz PJIPKCUQGOTKEZ-FGTMMUONSA-N 1 1 402.970 4.125 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000303661358 855114251 /nfs/dbraw/zinc/11/42/51/855114251.db2.gz VSGZFFIQWVFZHB-VJBWXMMDSA-N 1 1 410.606 4.217 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303738163 855163048 /nfs/dbraw/zinc/16/30/48/855163048.db2.gz HJFBNTITYCSOSB-CVDCTZTESA-N 1 1 407.583 4.303 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000303745551 855168110 /nfs/dbraw/zinc/16/81/10/855168110.db2.gz JVOSOXWYVIGLLQ-UTKZUKDTSA-N 1 1 410.949 4.135 20 30 HIEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000437385577 862702047 /nfs/dbraw/zinc/70/20/47/862702047.db2.gz NNRYFDUEYICPOF-UHFFFAOYSA-N 1 1 417.513 4.391 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000437397725 862738680 /nfs/dbraw/zinc/73/86/80/862738680.db2.gz PORZEUNZXXEAGH-OAHLLOKOSA-N 1 1 420.847 4.059 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000437397725 862738692 /nfs/dbraw/zinc/73/86/92/862738692.db2.gz PORZEUNZXXEAGH-OAHLLOKOSA-N 1 1 420.847 4.059 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426142720 856135910 /nfs/dbraw/zinc/13/59/10/856135910.db2.gz WHYABOGBQHMBRW-PZJWPPBQSA-N 1 1 412.921 4.013 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426142720 856135913 /nfs/dbraw/zinc/13/59/13/856135913.db2.gz WHYABOGBQHMBRW-PZJWPPBQSA-N 1 1 412.921 4.013 20 30 HIEDMO N#Cc1cnc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c(Cl)c1 ZINC000428034583 857050093 /nfs/dbraw/zinc/05/00/93/857050093.db2.gz CXXAADFTZVZUGP-UHFFFAOYSA-N 1 1 408.933 4.268 20 30 HIEDMO C[C@@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000428614231 857278912 /nfs/dbraw/zinc/27/89/12/857278912.db2.gz GADKYKVSJULXJU-FQEVSTJZSA-N 1 1 415.541 4.104 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783277 857336654 /nfs/dbraw/zinc/33/66/54/857336654.db2.gz MWTPTOJIYQEQBC-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783277 857336659 /nfs/dbraw/zinc/33/66/59/857336659.db2.gz MWTPTOJIYQEQBC-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923523 857418554 /nfs/dbraw/zinc/41/85/54/857418554.db2.gz DOBTXMDVJVEMGC-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923523 857418562 /nfs/dbraw/zinc/41/85/62/857418562.db2.gz DOBTXMDVJVEMGC-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935121 857425080 /nfs/dbraw/zinc/42/50/80/857425080.db2.gz YNRSAZGNFAVNTE-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935121 857425083 /nfs/dbraw/zinc/42/50/83/857425083.db2.gz YNRSAZGNFAVNTE-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429036278 857468310 /nfs/dbraw/zinc/46/83/10/857468310.db2.gz RURSKPNQVJRJAO-QHCPKHFHSA-N 1 1 422.598 4.096 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429036278 857468317 /nfs/dbraw/zinc/46/83/17/857468317.db2.gz RURSKPNQVJRJAO-QHCPKHFHSA-N 1 1 422.598 4.096 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780531 857882894 /nfs/dbraw/zinc/88/28/94/857882894.db2.gz ATRBQYGTXFYIJP-LEWJYISDSA-N 1 1 419.573 4.190 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430773545 858299466 /nfs/dbraw/zinc/29/94/66/858299466.db2.gz VECULYSGGGVGKA-GOSISDBHSA-N 1 1 401.576 4.082 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430926006 858372447 /nfs/dbraw/zinc/37/24/47/858372447.db2.gz MWIJGQKZFCUZMV-URXFXBBRSA-N 1 1 405.542 4.045 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430926006 858372459 /nfs/dbraw/zinc/37/24/59/858372459.db2.gz MWIJGQKZFCUZMV-URXFXBBRSA-N 1 1 405.542 4.045 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901802 858862459 /nfs/dbraw/zinc/86/24/59/858862459.db2.gz YHCVPIMGJQONIS-RPWUZVMVSA-N 1 1 420.557 4.012 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H](CCCC#N)c3ccccc3)CC2)oc1C ZINC000431921084 858871226 /nfs/dbraw/zinc/87/12/26/858871226.db2.gz WCANNTJKXZPTQC-JOCHJYFZSA-N 1 1 423.561 4.238 20 30 HIEDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000433153352 859542972 /nfs/dbraw/zinc/54/29/72/859542972.db2.gz PKOBSLMRZBJRAW-UHFFFAOYSA-N 1 1 413.481 4.249 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306096 859628724 /nfs/dbraw/zinc/62/87/24/859628724.db2.gz ROZIEWZSKJHNMQ-RDJZCZTQSA-N 1 1 412.331 4.212 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433319642 859637245 /nfs/dbraw/zinc/63/72/45/859637245.db2.gz PDBDSZNJTOLTGV-PKOBYXMFSA-N 1 1 411.933 4.473 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433319642 859637252 /nfs/dbraw/zinc/63/72/52/859637252.db2.gz PDBDSZNJTOLTGV-PKOBYXMFSA-N 1 1 411.933 4.473 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000433476328 859721461 /nfs/dbraw/zinc/72/14/61/859721461.db2.gz AXZSJNZRJWHRPE-XMMPIXPASA-N 1 1 407.510 4.268 20 30 HIEDMO C[C@H](c1cccc(NCC#Cc2ccc(OC(F)(F)F)cc2)c1)[NH+]1CCOCC1 ZINC000433489803 859730115 /nfs/dbraw/zinc/73/01/15/859730115.db2.gz SRHBPXZPFJBEFQ-QGZVFWFLSA-N 1 1 404.432 4.442 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434671364 860453724 /nfs/dbraw/zinc/45/37/24/860453724.db2.gz HGMYQTMTVXJCRY-QGZVFWFLSA-N 1 1 414.546 4.385 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434711023 860466087 /nfs/dbraw/zinc/46/60/87/860466087.db2.gz LFCQYQYRRCTUEB-UHFFFAOYSA-N 1 1 410.587 4.181 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434711023 860466091 /nfs/dbraw/zinc/46/60/91/860466091.db2.gz LFCQYQYRRCTUEB-UHFFFAOYSA-N 1 1 410.587 4.181 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882185 860532786 /nfs/dbraw/zinc/53/27/86/860532786.db2.gz APVKFVJIQBJWQD-LBPRGKRZSA-N 1 1 414.478 4.303 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435520363 860837276 /nfs/dbraw/zinc/83/72/76/860837276.db2.gz CEDGIOOQVHWUIB-UHFFFAOYSA-N 1 1 416.525 4.317 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1cccs1 ZINC000437981820 863348826 /nfs/dbraw/zinc/34/88/26/863348826.db2.gz COMCZFIBYJHGGD-RDTXWAMCSA-N 1 1 420.485 4.426 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000438084295 863483893 /nfs/dbraw/zinc/48/38/93/863483893.db2.gz ZWBOGMOXKVVARR-YGOYIFOWSA-N 1 1 418.541 4.383 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1)C1CC1 ZINC000438633941 864064557 /nfs/dbraw/zinc/06/45/57/864064557.db2.gz XJEJIOKMOSLUIS-UHFFFAOYSA-N 1 1 418.541 4.058 20 30 HIEDMO O=C(NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)C1CCCCC1 ZINC000438680697 864143085 /nfs/dbraw/zinc/14/30/85/864143085.db2.gz YELDEEFSEDLKEH-UHFFFAOYSA-N 1 1 408.464 4.098 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378867 864810577 /nfs/dbraw/zinc/81/05/77/864810577.db2.gz OXYBKMAXHZWIRZ-VGSWGCGISA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378867 864810579 /nfs/dbraw/zinc/81/05/79/864810579.db2.gz OXYBKMAXHZWIRZ-VGSWGCGISA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481510 864847613 /nfs/dbraw/zinc/84/76/13/864847613.db2.gz IPQOEIRZNVRQGK-HXOBKFHXSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481510 864847616 /nfs/dbraw/zinc/84/76/16/864847616.db2.gz IPQOEIRZNVRQGK-HXOBKFHXSA-N 1 1 405.546 4.335 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579874 864899835 /nfs/dbraw/zinc/89/98/35/864899835.db2.gz HDNHFKYPBPOPRQ-PMACEKPBSA-N 1 1 422.495 4.144 20 30 HIEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440651856 865857033 /nfs/dbraw/zinc/85/70/33/865857033.db2.gz LJZATYRPQXLCLL-AWEZNQCLSA-N 1 1 410.319 4.062 20 30 HIEDMO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000441548324 866625568 /nfs/dbraw/zinc/62/55/68/866625568.db2.gz YVMKQJJHNUIYOE-GCJKJVERSA-N 1 1 401.514 4.266 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000442942391 867756239 /nfs/dbraw/zinc/75/62/39/867756239.db2.gz HYVDRSZTTXNXFS-UHFFFAOYSA-N 1 1 417.431 4.019 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961569 867766054 /nfs/dbraw/zinc/76/60/54/867766054.db2.gz BJZFZRMPHSTPBI-XLIONFOSSA-N 1 1 417.431 4.096 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597339 868152314 /nfs/dbraw/zinc/15/23/14/868152314.db2.gz YYZBXDBHRQQELB-HXUWFJFHSA-N 1 1 414.569 4.049 20 30 HIEDMO O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000443617473 868183202 /nfs/dbraw/zinc/18/32/02/868183202.db2.gz XENGEULDFBQBOK-LLVKDONJSA-N 1 1 409.292 4.426 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651610 868244045 /nfs/dbraw/zinc/24/40/45/868244045.db2.gz FGMWOCFTJAVVJL-AZUAARDMSA-N 1 1 410.489 4.315 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651614 868244983 /nfs/dbraw/zinc/24/49/83/868244983.db2.gz FGMWOCFTJAVVJL-ICSRJNTNSA-N 1 1 410.489 4.315 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444215029 868670041 /nfs/dbraw/zinc/67/00/41/868670041.db2.gz SAWDIDAYPCAGEE-PKOBYXMFSA-N 1 1 401.576 4.300 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC000444769743 868995017 /nfs/dbraw/zinc/99/50/17/868995017.db2.gz JKELNMZPNKAUQG-UHFFFAOYSA-N 1 1 407.905 4.016 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000446717921 870633076 /nfs/dbraw/zinc/63/30/76/870633076.db2.gz FSDUGJSSAKDTBB-YWEYNIOJSA-N 1 1 400.444 4.268 20 30 HIEDMO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000446840035 870758261 /nfs/dbraw/zinc/75/82/61/870758261.db2.gz WOILPPPJQGUURZ-UHFFFAOYSA-N 1 1 404.432 4.161 20 30 HIEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000447324528 871214142 /nfs/dbraw/zinc/21/41/42/871214142.db2.gz GTOCNGKLVZONDE-ZDUSSCGKSA-N 1 1 414.296 4.340 20 30 HIEDMO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460371093 873005508 /nfs/dbraw/zinc/00/55/08/873005508.db2.gz UCWMZHOVAOLTPQ-REWPJTCUSA-N 1 1 423.605 4.086 20 30 HIEDMO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460371092 873006430 /nfs/dbraw/zinc/00/64/30/873006430.db2.gz UCWMZHOVAOLTPQ-NZQKXSOJSA-N 1 1 423.605 4.086 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460373812 873009817 /nfs/dbraw/zinc/00/98/17/873009817.db2.gz UNUKOFZXXXTYNF-XBYSBRQOSA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460558950 873283261 /nfs/dbraw/zinc/28/32/61/873283261.db2.gz QLLDVHCLCXFTKY-ZRNYENFQSA-N 1 1 403.615 4.082 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460572890 873306731 /nfs/dbraw/zinc/30/67/31/873306731.db2.gz CEDNFRNZRPQIGJ-GPQLQYNLSA-N 1 1 409.578 4.051 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460775889 873628610 /nfs/dbraw/zinc/62/86/10/873628610.db2.gz HQRRHXKXBXPADT-BAMDZGJYSA-N 1 1 423.605 4.441 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460793878 873660065 /nfs/dbraw/zinc/66/00/65/873660065.db2.gz MOIMFDSVTHQOFP-PNJWGLBASA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460936517 873837658 /nfs/dbraw/zinc/83/76/58/873837658.db2.gz ZBTLKKYNACDFLJ-HXUWFJFHSA-N 1 1 402.546 4.017 20 30 HIEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460937062 873838183 /nfs/dbraw/zinc/83/81/83/873838183.db2.gz QKQCKIFNBGODQW-UHFFFAOYSA-N 1 1 404.562 4.457 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460951349 873849887 /nfs/dbraw/zinc/84/98/87/873849887.db2.gz WCDJWIJWTBIBFZ-HXUWFJFHSA-N 1 1 402.546 4.017 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@H](C)C1 ZINC000461482029 874541843 /nfs/dbraw/zinc/54/18/43/874541843.db2.gz BPRKXYRURUWFEG-UTKZUKDTSA-N 1 1 420.586 4.093 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)sc2C1 ZINC000468781232 882857357 /nfs/dbraw/zinc/85/73/57/882857357.db2.gz BKNBCFVVFLLPNM-UHFFFAOYSA-N 1 1 423.586 4.105 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461925331 875064699 /nfs/dbraw/zinc/06/46/99/875064699.db2.gz DUKPBKYSEPFBHE-UHFFFAOYSA-N 1 1 402.454 4.495 20 30 HIEDMO CSc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189819 875296923 /nfs/dbraw/zinc/29/69/23/875296923.db2.gz PHQFXEDBYZKOSX-VXKWHMMOSA-N 1 1 415.509 4.174 20 30 HIEDMO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462246632 875365238 /nfs/dbraw/zinc/36/52/38/875365238.db2.gz LQYRHTGTMWUWCQ-XXBNENTESA-N 1 1 413.525 4.252 20 30 HIEDMO N#Cc1ccccc1COc1cccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000462852621 875886761 /nfs/dbraw/zinc/88/67/61/875886761.db2.gz GXAJNHQCGRLZHS-VWLOTQADSA-N 1 1 413.521 4.316 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)c4cccc(C#N)c4)n3)cc2F)CC1 ZINC000463051211 876078173 /nfs/dbraw/zinc/07/81/73/876078173.db2.gz AWKHIFKZZBUGFO-INIZCTEOSA-N 1 1 405.477 4.041 20 30 HIEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000463057686 876086689 /nfs/dbraw/zinc/08/66/89/876086689.db2.gz RXYFNUSZGUJQGB-LJQANCHMSA-N 1 1 405.571 4.404 20 30 HIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Br)cc2o1 ZINC000463203641 876265111 /nfs/dbraw/zinc/26/51/11/876265111.db2.gz GNCVJLOQTXFKQF-UHFFFAOYSA-N 1 1 400.276 4.111 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Br)cc2o1 ZINC000463203641 876265130 /nfs/dbraw/zinc/26/51/30/876265130.db2.gz GNCVJLOQTXFKQF-UHFFFAOYSA-N 1 1 400.276 4.111 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463209009 876270574 /nfs/dbraw/zinc/27/05/74/876270574.db2.gz HPTRHBCKXVCIOD-UKAVVXHISA-N 1 1 415.603 4.425 20 30 HIEDMO COc1cc(Br)ccc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463281143 876338049 /nfs/dbraw/zinc/33/80/49/876338049.db2.gz KGAGLYKZSNCPMT-UHFFFAOYSA-N 1 1 414.347 4.084 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)sc2C1 ZINC000463420332 876475311 /nfs/dbraw/zinc/47/53/11/876475311.db2.gz QYMLMFOXUOATMQ-OAHLLOKOSA-N 1 1 421.566 4.326 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000463754338 876877477 /nfs/dbraw/zinc/87/74/77/876877477.db2.gz GSUFCPMCQVIQAD-HDICACEKSA-N 1 1 410.514 4.122 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000463754338 876877487 /nfs/dbraw/zinc/87/74/87/876877487.db2.gz GSUFCPMCQVIQAD-HDICACEKSA-N 1 1 410.514 4.122 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000463774988 876895444 /nfs/dbraw/zinc/89/54/44/876895444.db2.gz KDAPOQIOJXWRHE-KKSFZXQISA-N 1 1 400.544 4.134 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000464347256 877539260 /nfs/dbraw/zinc/53/92/60/877539260.db2.gz XNEJWQSZRXIEKM-HSZRJFAPSA-N 1 1 403.526 4.132 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763267 878004133 /nfs/dbraw/zinc/00/41/33/878004133.db2.gz ALKLHZTYZIDQKR-WOJBJXKFSA-N 1 1 423.582 4.445 20 30 HIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780528 878025443 /nfs/dbraw/zinc/02/54/43/878025443.db2.gz UDHWAIXCAGWJIB-IEBWSBKVSA-N 1 1 414.575 4.162 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464839485 878107107 /nfs/dbraw/zinc/10/71/07/878107107.db2.gz PUMJGLVMTCNBRV-ZWKOTPCHSA-N 1 1 422.598 4.032 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464841053 878109451 /nfs/dbraw/zinc/10/94/51/878109451.db2.gz WDHBJNHDKCFKDN-XMMPIXPASA-N 1 1 418.585 4.004 20 30 HIEDMO CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842954 878115540 /nfs/dbraw/zinc/11/55/40/878115540.db2.gz NUQYGQUYNGCLSR-JOCHJYFZSA-N 1 1 414.553 4.192 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465188459 878581628 /nfs/dbraw/zinc/58/16/28/878581628.db2.gz UXGBEWMTLUXYTM-YADARESESA-N 1 1 421.541 4.321 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465188456 878582118 /nfs/dbraw/zinc/58/21/18/878582118.db2.gz UXGBEWMTLUXYTM-CYFREDJKSA-N 1 1 421.541 4.321 20 30 HIEDMO C[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000465632719 879145053 /nfs/dbraw/zinc/14/50/53/879145053.db2.gz LOLBFBJZTOLOFT-HXUWFJFHSA-N 1 1 422.598 4.097 20 30 HIEDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655575 879181493 /nfs/dbraw/zinc/18/14/93/879181493.db2.gz IIFJVNYIIQQXMQ-SFHVURJKSA-N 1 1 402.498 4.344 20 30 HIEDMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655575 879181513 /nfs/dbraw/zinc/18/15/13/879181513.db2.gz IIFJVNYIIQQXMQ-SFHVURJKSA-N 1 1 402.498 4.344 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000465711879 879280244 /nfs/dbraw/zinc/28/02/44/879280244.db2.gz HCUOJKUOYVUJTP-IFMALSPDSA-N 1 1 417.488 4.301 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000465803622 879416675 /nfs/dbraw/zinc/41/66/75/879416675.db2.gz BQHWDMGCSQLMDF-UEVCKROQSA-N 1 1 422.598 4.441 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466602902 880371354 /nfs/dbraw/zinc/37/13/54/880371354.db2.gz YYUFUMTUOGJRMH-LJQANCHMSA-N 1 1 421.545 4.460 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000466822381 880594658 /nfs/dbraw/zinc/59/46/58/880594658.db2.gz MPPJTQBGDKJSFW-UHFFFAOYSA-N 1 1 419.916 4.248 20 30 HIEDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467273810 881016057 /nfs/dbraw/zinc/01/60/57/881016057.db2.gz SSZSIKHALNCPAD-KRWDZBQOSA-N 1 1 403.592 4.356 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(OC3CCCC3)CC2)ccc1Cl ZINC000503575661 912656920 /nfs/dbraw/zinc/65/69/20/912656920.db2.gz IEBCDZKBYQQYSC-UHFFFAOYSA-N 1 1 403.954 4.319 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000469755069 883918001 /nfs/dbraw/zinc/91/80/01/883918001.db2.gz FSNHNBSGZLIPDL-VXGBXAGGSA-N 1 1 420.307 4.217 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503970176 912889982 /nfs/dbraw/zinc/88/99/82/912889982.db2.gz QHGFLSQRQBQJGD-OAQYLSRUSA-N 1 1 424.545 4.152 20 30 HIEDMO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000470910381 885418630 /nfs/dbraw/zinc/41/86/30/885418630.db2.gz HJGFXWFFHXBTJZ-QFIPXVFZSA-N 1 1 408.542 4.446 20 30 HIEDMO C=C(C)C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000470910381 885418634 /nfs/dbraw/zinc/41/86/34/885418634.db2.gz HJGFXWFFHXBTJZ-QFIPXVFZSA-N 1 1 408.542 4.446 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000504108846 913018270 /nfs/dbraw/zinc/01/82/70/913018270.db2.gz MYWHCSGHSDAEPJ-JOCHJYFZSA-N 1 1 401.599 4.349 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000471732425 886452014 /nfs/dbraw/zinc/45/20/14/886452014.db2.gz WKNWVBDOKDCQJH-NRFANRHFSA-N 1 1 407.558 4.195 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000471732425 886452024 /nfs/dbraw/zinc/45/20/24/886452024.db2.gz WKNWVBDOKDCQJH-NRFANRHFSA-N 1 1 407.558 4.195 20 30 HIEDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000472239959 887047933 /nfs/dbraw/zinc/04/79/33/887047933.db2.gz JGGHBRPBRSAPQY-XXBNENTESA-N 1 1 413.525 4.198 20 30 HIEDMO CCc1nsc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472586904 887465144 /nfs/dbraw/zinc/46/51/44/887465144.db2.gz SUYDXTKCSMEJMG-UHFFFAOYSA-N 1 1 417.582 4.122 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000473025230 887850234 /nfs/dbraw/zinc/85/02/34/887850234.db2.gz SUQHSDUWXMXENP-UHFFFAOYSA-N 1 1 418.324 4.485 20 30 HIEDMO C[C@@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473027461 887850472 /nfs/dbraw/zinc/85/04/72/887850472.db2.gz ZHSRZHKQWPGBDF-FQEVSTJZSA-N 1 1 420.557 4.022 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178540 887957356 /nfs/dbraw/zinc/95/73/56/887957356.db2.gz XROWCTYHCHELFE-DEOSSOPVSA-N 1 1 421.566 4.349 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000504385727 913210310 /nfs/dbraw/zinc/21/03/10/913210310.db2.gz YGMHFAHEBRCRHD-LJQANCHMSA-N 1 1 421.541 4.103 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474223309 889062526 /nfs/dbraw/zinc/06/25/26/889062526.db2.gz OOFICQWRLYOKMK-TZIWHRDSSA-N 1 1 422.598 4.226 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474224773 889065139 /nfs/dbraw/zinc/06/51/39/889065139.db2.gz GKXARXMKERNFFQ-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474224773 889065152 /nfs/dbraw/zinc/06/51/52/889065152.db2.gz GKXARXMKERNFFQ-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474224773 889065164 /nfs/dbraw/zinc/06/51/64/889065164.db2.gz GKXARXMKERNFFQ-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234791 889078626 /nfs/dbraw/zinc/07/86/26/889078626.db2.gz SOYKSQWWMVPJCO-QHCPKHFHSA-N 1 1 422.573 4.406 20 30 HIEDMO CCc1onc(-c2ccccc2)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474412878 889277955 /nfs/dbraw/zinc/27/79/55/889277955.db2.gz MYSMTYXTFBCJGG-UHFFFAOYSA-N 1 1 414.509 4.124 20 30 HIEDMO CCc1onc(-c2ccccc2)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474412878 889277963 /nfs/dbraw/zinc/27/79/63/889277963.db2.gz MYSMTYXTFBCJGG-UHFFFAOYSA-N 1 1 414.509 4.124 20 30 HIEDMO N#C[C@@]1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCc2ccccc2C1 ZINC000474651372 889515175 /nfs/dbraw/zinc/51/51/75/889515175.db2.gz MYTLXRCAKRDMGL-NBGIEHNGSA-N 1 1 402.542 4.061 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000475167911 890033706 /nfs/dbraw/zinc/03/37/06/890033706.db2.gz RMBKTHIVLLIUMO-AZUAARDMSA-N 1 1 411.590 4.246 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c(F)c1 ZINC000475645344 890588550 /nfs/dbraw/zinc/58/85/50/890588550.db2.gz ZTXYNRJLIAWYMX-MRXNPFEDSA-N 1 1 417.200 4.302 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475684621 890625109 /nfs/dbraw/zinc/62/51/09/890625109.db2.gz BWAKURHCTCMHOZ-DVECYGJZSA-N 1 1 423.582 4.089 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476487362 891396115 /nfs/dbraw/zinc/39/61/15/891396115.db2.gz IUABZUDZVJYDMQ-QFIPXVFZSA-N 1 1 405.542 4.320 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000476597588 891532327 /nfs/dbraw/zinc/53/23/27/891532327.db2.gz NUUSTWMBEGBAMH-DNVKUUNQSA-N 1 1 403.526 4.177 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482445 892469607 /nfs/dbraw/zinc/46/96/07/892469607.db2.gz IJOBTMVTKAUYJF-GOSISDBHSA-N 1 1 423.538 4.393 20 30 HIEDMO Cc1ccc([C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000504988860 913735052 /nfs/dbraw/zinc/73/50/52/913735052.db2.gz PWCJCWZPANRGGD-XMMPIXPASA-N 1 1 402.542 4.235 20 30 HIEDMO CCc1cccc2c(C3CC[NH+](CCS(=O)(=O)c4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000478433830 893734677 /nfs/dbraw/zinc/73/46/77/893734677.db2.gz WOKRXNIADOMCRC-UHFFFAOYSA-N 1 1 421.566 4.255 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000478858353 894138664 /nfs/dbraw/zinc/13/86/64/894138664.db2.gz AOVXLAGZKCQOID-LJQANCHMSA-N 1 1 402.542 4.421 20 30 HIEDMO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479094832 894360633 /nfs/dbraw/zinc/36/06/33/894360633.db2.gz KFLTXPAYXDKDLD-UHFFFAOYSA-N 1 1 406.917 4.350 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000479110068 894377016 /nfs/dbraw/zinc/37/70/16/894377016.db2.gz ZRGUMFUYGNDVIV-BDIVZWSOSA-N 1 1 424.589 4.071 20 30 HIEDMO CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000479253061 894518757 /nfs/dbraw/zinc/51/87/57/894518757.db2.gz XFJNPCVSJBUOAU-UHFFFAOYSA-N 1 1 418.585 4.207 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000479253061 894518768 /nfs/dbraw/zinc/51/87/68/894518768.db2.gz XFJNPCVSJBUOAU-UHFFFAOYSA-N 1 1 418.585 4.207 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccc(F)cc2)c1 ZINC000479477154 894799945 /nfs/dbraw/zinc/79/99/45/894799945.db2.gz DLUQIGFKRUEXDW-QFIPXVFZSA-N 1 1 412.461 4.119 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1C ZINC000479637436 894903262 /nfs/dbraw/zinc/90/32/62/894903262.db2.gz IJIOMTUYFIQGOK-NRFANRHFSA-N 1 1 405.498 4.116 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1C ZINC000479637436 894903268 /nfs/dbraw/zinc/90/32/68/894903268.db2.gz IJIOMTUYFIQGOK-NRFANRHFSA-N 1 1 405.498 4.116 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000480292144 895697342 /nfs/dbraw/zinc/69/73/42/895697342.db2.gz JTDDMKFVCWCPPG-UHFFFAOYSA-N 1 1 419.978 4.496 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)[NH+](C)C ZINC000480393132 895799842 /nfs/dbraw/zinc/79/98/42/895799842.db2.gz HXLIPMXREGQFIW-JOCHJYFZSA-N 1 1 408.546 4.037 20 30 HIEDMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1c(F)c(F)cc(F)c1F ZINC000480855207 896222665 /nfs/dbraw/zinc/22/26/65/896222665.db2.gz QNMGUDNOOFLZFW-LBPRGKRZSA-N 1 1 420.328 4.266 20 30 HIEDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1c(F)c(F)cc(F)c1F ZINC000480855207 896222681 /nfs/dbraw/zinc/22/26/81/896222681.db2.gz QNMGUDNOOFLZFW-LBPRGKRZSA-N 1 1 420.328 4.266 20 30 HIEDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000481061932 896384952 /nfs/dbraw/zinc/38/49/52/896384952.db2.gz SEMGMCGDYGWCJB-UHFFFAOYSA-N 1 1 412.331 4.024 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169831 896504161 /nfs/dbraw/zinc/50/41/61/896504161.db2.gz GHUMOXXCFPELLU-RDGATRHJSA-N 1 1 418.585 4.050 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174516 896509719 /nfs/dbraw/zinc/50/97/19/896509719.db2.gz HSIYBPWJQMOZHS-XUZZJYLKSA-N 1 1 418.585 4.050 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccc(F)c(F)c1 ZINC000481598080 896978306 /nfs/dbraw/zinc/97/83/06/896978306.db2.gz YJTLJUCEGHMAJN-NPMXOYFQSA-N 1 1 418.484 4.375 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(F)c(F)c1 ZINC000481599159 896978399 /nfs/dbraw/zinc/97/83/99/896978399.db2.gz OZPWSXHLAQSLQY-SZNDQCEHSA-N 1 1 402.441 4.360 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000481601805 896981185 /nfs/dbraw/zinc/98/11/85/896981185.db2.gz RSWUFIAUBWUJJO-HXUWFJFHSA-N 1 1 410.411 4.132 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cccc(COC(C)C)c1)c1ccc(F)c(F)c1 ZINC000481615218 896997698 /nfs/dbraw/zinc/99/76/98/896997698.db2.gz SHVZESKGALIKKQ-HSZRJFAPSA-N 1 1 402.485 4.413 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481618312 897001524 /nfs/dbraw/zinc/00/15/24/897001524.db2.gz DTSCHSCBJGGNRL-NYHFZMIOSA-N 1 1 418.484 4.236 20 30 HIEDMO COc1cc(I)c(Cl)cc1C[NH2+]Cc1ccc(C#N)s1 ZINC000481744399 897139113 /nfs/dbraw/zinc/13/91/13/897139113.db2.gz RAHZBCQZNVUSSP-UHFFFAOYSA-N 1 1 418.687 4.176 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894321 897272108 /nfs/dbraw/zinc/27/21/08/897272108.db2.gz ZNUPNNFTBJAAEA-XZOQPEGZSA-N 1 1 420.553 4.387 20 30 HIEDMO C=C(C)[C@@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(F)c(F)c1 ZINC000482504153 898086538 /nfs/dbraw/zinc/08/65/38/898086538.db2.gz WBVQABKSZKDVFO-LJQANCHMSA-N 1 1 409.473 4.224 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000482962237 898592515 /nfs/dbraw/zinc/59/25/15/898592515.db2.gz ORZLGVRVRVMGCH-CYBMUJFWSA-N 1 1 421.726 4.095 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)c1 ZINC000482965409 898597554 /nfs/dbraw/zinc/59/75/54/898597554.db2.gz SEAZRMNVKVTZIR-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCN(c2ccccc2)C1 ZINC000483073558 898754410 /nfs/dbraw/zinc/75/44/10/898754410.db2.gz IMLRXKGXSWYNFK-OAQYLSRUSA-N 1 1 400.526 4.338 20 30 HIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCCN(c2ccccc2)C1 ZINC000483073558 898754433 /nfs/dbraw/zinc/75/44/33/898754433.db2.gz IMLRXKGXSWYNFK-OAQYLSRUSA-N 1 1 400.526 4.338 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483356769 898994020 /nfs/dbraw/zinc/99/40/20/898994020.db2.gz KCWTYNIWAUCLKH-URXFXBBRSA-N 1 1 418.541 4.394 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507307 899168998 /nfs/dbraw/zinc/16/89/98/899168998.db2.gz XTFZFFRYGOVDNV-XZOQPEGZSA-N 1 1 413.525 4.095 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@H]21 ZINC000483567844 899223303 /nfs/dbraw/zinc/22/33/03/899223303.db2.gz ZIJICUPEFHNBLS-IFMALSPDSA-N 1 1 405.567 4.407 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000484006887 899643267 /nfs/dbraw/zinc/64/32/67/899643267.db2.gz MZAXBMFFIZGQHR-UHFFFAOYSA-N 1 1 421.310 4.242 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000484006887 899643277 /nfs/dbraw/zinc/64/32/77/899643277.db2.gz MZAXBMFFIZGQHR-UHFFFAOYSA-N 1 1 421.310 4.242 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000505692082 914382411 /nfs/dbraw/zinc/38/24/11/914382411.db2.gz OWNDWTDHRHZLGD-GOTSBHOMSA-N 1 1 404.514 4.080 20 30 HIEDMO N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000484793993 900199881 /nfs/dbraw/zinc/19/98/81/900199881.db2.gz RCDJQRROKMVSDA-QHCPKHFHSA-N 1 1 415.562 4.468 20 30 HIEDMO N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000484793993 900199888 /nfs/dbraw/zinc/19/98/88/900199888.db2.gz RCDJQRROKMVSDA-QHCPKHFHSA-N 1 1 415.562 4.468 20 30 HIEDMO COc1cc2c(cc1OC)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000505771283 914439241 /nfs/dbraw/zinc/43/92/41/914439241.db2.gz MAYODECZUOAQFA-UHFFFAOYSA-N 1 1 402.498 4.039 20 30 HIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000505771283 914439250 /nfs/dbraw/zinc/43/92/50/914439250.db2.gz MAYODECZUOAQFA-UHFFFAOYSA-N 1 1 402.498 4.039 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311195 900589228 /nfs/dbraw/zinc/58/92/28/900589228.db2.gz AFBDWGFCMMBHFE-DFBJGRDBSA-N 1 1 423.557 4.149 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311195 900589237 /nfs/dbraw/zinc/58/92/37/900589237.db2.gz AFBDWGFCMMBHFE-DFBJGRDBSA-N 1 1 423.557 4.149 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335664 900622012 /nfs/dbraw/zinc/62/20/12/900622012.db2.gz PEIFGSGUKKZMTB-QTGUNEKASA-N 1 1 420.557 4.082 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841521 914492721 /nfs/dbraw/zinc/49/27/21/914492721.db2.gz WJJGEMBHZPFACD-MOPGFXCFSA-N 1 1 409.555 4.420 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841521 914492741 /nfs/dbraw/zinc/49/27/41/914492741.db2.gz WJJGEMBHZPFACD-MOPGFXCFSA-N 1 1 409.555 4.420 20 30 HIEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000485677443 900929652 /nfs/dbraw/zinc/92/96/52/900929652.db2.gz FDWZTKIKBSOEFE-FQEVSTJZSA-N 1 1 418.545 4.247 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485924271 901150753 /nfs/dbraw/zinc/15/07/53/901150753.db2.gz YPIIRNJXIFHFQW-INIZCTEOSA-N 1 1 408.571 4.168 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485924271 901150764 /nfs/dbraw/zinc/15/07/64/901150764.db2.gz YPIIRNJXIFHFQW-INIZCTEOSA-N 1 1 408.571 4.168 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCCO)Cc2ccccc2)sc2c1CCCCC2 ZINC000486792175 901857939 /nfs/dbraw/zinc/85/79/39/901857939.db2.gz RQXJPFHUIBBJOD-UHFFFAOYSA-N 1 1 411.571 4.102 20 30 HIEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1 ZINC000486886875 901933094 /nfs/dbraw/zinc/93/30/94/901933094.db2.gz YTGVVRJRDJERKT-OAQYLSRUSA-N 1 1 405.885 4.362 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2)cc1 ZINC000487010385 902012857 /nfs/dbraw/zinc/01/28/57/902012857.db2.gz KBYTZXMQVKGKNW-UHFFFAOYSA-N 1 1 417.534 4.413 20 30 HIEDMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487376803 902168645 /nfs/dbraw/zinc/16/86/45/902168645.db2.gz LEWYWNZMSKNEJW-KRWDZBQOSA-N 1 1 421.570 4.478 20 30 HIEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2F)CC1 ZINC000487385262 902174170 /nfs/dbraw/zinc/17/41/70/902174170.db2.gz CKEJUKVHHZBXJS-JOCHJYFZSA-N 1 1 408.521 4.133 20 30 HIEDMO N#Cc1c(F)cccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000487760520 902347325 /nfs/dbraw/zinc/34/73/25/902347325.db2.gz JGQUFCAEFGYNLR-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1c(F)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000487760520 902347337 /nfs/dbraw/zinc/34/73/37/902347337.db2.gz JGQUFCAEFGYNLR-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000488326380 902765064 /nfs/dbraw/zinc/76/50/64/902765064.db2.gz DEGMNCFJKUVDLO-RTBURBONSA-N 1 1 416.294 4.117 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650799 902919459 /nfs/dbraw/zinc/91/94/59/902919459.db2.gz CFNLLYQQNAFSIW-GOSISDBHSA-N 1 1 420.513 4.068 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490214860 903831253 /nfs/dbraw/zinc/83/12/53/903831253.db2.gz CUSLXNKKRKCEGD-FCHUYYIVSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490214860 903831256 /nfs/dbraw/zinc/83/12/56/903831256.db2.gz CUSLXNKKRKCEGD-FCHUYYIVSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490214862 903831625 /nfs/dbraw/zinc/83/16/25/903831625.db2.gz CUSLXNKKRKCEGD-VXKWHMMOSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490214862 903831628 /nfs/dbraw/zinc/83/16/28/903831628.db2.gz CUSLXNKKRKCEGD-VXKWHMMOSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490368675 903961337 /nfs/dbraw/zinc/96/13/37/903961337.db2.gz MSJIEJIGAOBFGU-RXVVDRJESA-N 1 1 406.530 4.378 20 30 HIEDMO COc1ccccc1C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000491115541 904439120 /nfs/dbraw/zinc/43/91/20/904439120.db2.gz YXWREHHXINXGEL-HSZRJFAPSA-N 1 1 416.525 4.149 20 30 HIEDMO COc1ccccc1C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000491115541 904439127 /nfs/dbraw/zinc/43/91/27/904439127.db2.gz YXWREHHXINXGEL-HSZRJFAPSA-N 1 1 416.525 4.149 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC)c1 ZINC000491893803 904722142 /nfs/dbraw/zinc/72/21/42/904722142.db2.gz WOOIOKMPAFDNIB-QFIPXVFZSA-N 1 1 402.498 4.313 20 30 HIEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123064 904802875 /nfs/dbraw/zinc/80/28/75/904802875.db2.gz VBBDQWZBGYJCRK-GHTZIAJQSA-N 1 1 424.932 4.349 20 30 HIEDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc(OC)c1OC ZINC000492743665 904896829 /nfs/dbraw/zinc/89/68/29/904896829.db2.gz GMOGZXSKPDIZNR-GFCCVEGCSA-N 1 1 405.292 4.197 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Oc4ccccc4Cl)CC3)C2=O)cc1 ZINC000492934935 904954054 /nfs/dbraw/zinc/95/40/54/904954054.db2.gz DXQCEFKWZNTMQJ-OAQYLSRUSA-N 1 1 409.917 4.250 20 30 HIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493572515 905165431 /nfs/dbraw/zinc/16/54/31/905165431.db2.gz KZZZZSKGCHNTSD-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493572515 905165439 /nfs/dbraw/zinc/16/54/39/905165439.db2.gz KZZZZSKGCHNTSD-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCC(CCN4CCOCC4)CC3)c2)c1 ZINC000512399773 921135359 /nfs/dbraw/zinc/13/53/59/921135359.db2.gz MWHVZRSVLKRCTN-UHFFFAOYSA-N 1 1 419.569 4.072 20 30 HIEDMO C[C@@H]1[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000494016068 905354897 /nfs/dbraw/zinc/35/48/97/905354897.db2.gz HNEQHLRTCLVWSY-WZONZLPQSA-N 1 1 415.493 4.123 20 30 HIEDMO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1OC(F)F ZINC000512421998 921150204 /nfs/dbraw/zinc/15/02/04/921150204.db2.gz WNPUDOQQGSYCOC-UHFFFAOYSA-N 1 1 424.451 4.039 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268497 905593895 /nfs/dbraw/zinc/59/38/95/905593895.db2.gz PAMXSOFPJFAPOF-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268497 905593907 /nfs/dbraw/zinc/59/39/07/905593907.db2.gz PAMXSOFPJFAPOF-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)C2)n1 ZINC000494494555 905781189 /nfs/dbraw/zinc/78/11/89/905781189.db2.gz OLWCLIDCJNBIST-OAQYLSRUSA-N 1 1 417.557 4.088 20 30 HIEDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000512481422 921189697 /nfs/dbraw/zinc/18/96/97/921189697.db2.gz URNWAJNPLJTPPU-UHFFFAOYSA-N 1 1 408.509 4.127 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750228 905951618 /nfs/dbraw/zinc/95/16/18/905951618.db2.gz BNGYOZFFLWQZQT-IBGZPJMESA-N 1 1 412.578 4.011 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000512557713 921235244 /nfs/dbraw/zinc/23/52/44/921235244.db2.gz WTPVLKOTJYFNSF-IBGZPJMESA-N 1 1 422.367 4.045 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)n1 ZINC000495495741 906486052 /nfs/dbraw/zinc/48/60/52/906486052.db2.gz WUGJDJCMXOPMER-FQEVSTJZSA-N 1 1 423.542 4.062 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274931 906646871 /nfs/dbraw/zinc/64/68/71/906646871.db2.gz ZXPOAPZMOIYTHB-UYAOXDASSA-N 1 1 412.331 4.042 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1F ZINC000512646604 921273233 /nfs/dbraw/zinc/27/32/33/921273233.db2.gz BQUNYDBZDPGGEM-KZULUSFZSA-N 1 1 407.367 4.052 20 30 HIEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc2nccc(C)c12 ZINC000497508686 906999521 /nfs/dbraw/zinc/99/95/21/906999521.db2.gz ROZKLSIDUVGECY-UHFFFAOYSA-N 1 1 404.539 4.133 20 30 HIEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc2nccc(C)c12 ZINC000497508686 906999537 /nfs/dbraw/zinc/99/95/37/906999537.db2.gz ROZKLSIDUVGECY-UHFFFAOYSA-N 1 1 404.539 4.133 20 30 HIEDMO CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617689 907097470 /nfs/dbraw/zinc/09/74/70/907097470.db2.gz IKTUMRAEPLDWJX-KRWDZBQOSA-N 1 1 405.523 4.303 20 30 HIEDMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637774 907122836 /nfs/dbraw/zinc/12/28/36/907122836.db2.gz WTVSLTJICRPNBC-AGILITTLSA-N 1 1 411.590 4.070 20 30 HIEDMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637774 907122843 /nfs/dbraw/zinc/12/28/43/907122843.db2.gz WTVSLTJICRPNBC-AGILITTLSA-N 1 1 411.590 4.070 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000512791706 921312182 /nfs/dbraw/zinc/31/21/82/921312182.db2.gz DHGORADLIVNHQY-QFQXNSOFSA-N 1 1 409.489 4.208 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000512791706 921312184 /nfs/dbraw/zinc/31/21/84/921312184.db2.gz DHGORADLIVNHQY-QFQXNSOFSA-N 1 1 409.489 4.208 20 30 HIEDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000512841202 921344444 /nfs/dbraw/zinc/34/44/44/921344444.db2.gz RBPMOIMWUOPXOS-OAHLLOKOSA-N 1 1 415.896 4.071 20 30 HIEDMO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512845846 921348749 /nfs/dbraw/zinc/34/87/49/921348749.db2.gz WJVQYGBWKWUSBE-HSZRJFAPSA-N 1 1 409.505 4.150 20 30 HIEDMO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000498583876 908036350 /nfs/dbraw/zinc/03/63/50/908036350.db2.gz KBMYAVZCEWRNCD-UHFFFAOYSA-N 1 1 419.525 4.313 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498715743 908141619 /nfs/dbraw/zinc/14/16/19/908141619.db2.gz OJEUCRFJMQBDCS-KNQAVFIVSA-N 1 1 422.529 4.203 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1=O ZINC000499628221 908860723 /nfs/dbraw/zinc/86/07/23/908860723.db2.gz WMNPIULQJOQTNE-DOMZBBRYSA-N 1 1 406.349 4.010 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000500243687 909732332 /nfs/dbraw/zinc/73/23/32/909732332.db2.gz FBZSVASDTKXSHH-QFIPXVFZSA-N 1 1 416.550 4.219 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000500243687 909732341 /nfs/dbraw/zinc/73/23/41/909732341.db2.gz FBZSVASDTKXSHH-QFIPXVFZSA-N 1 1 416.550 4.219 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500747923 910058623 /nfs/dbraw/zinc/05/86/23/910058623.db2.gz YDBCJWSSEQYFFR-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107907 921556074 /nfs/dbraw/zinc/55/60/74/921556074.db2.gz JDKRJQROSXGYLC-ROUUACIJSA-N 1 1 424.524 4.001 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501377158 910505896 /nfs/dbraw/zinc/50/58/96/910505896.db2.gz QMJUQNRKAFOUEJ-XUZZJYLKSA-N 1 1 423.605 4.462 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318562 911291944 /nfs/dbraw/zinc/29/19/44/911291944.db2.gz DUGMRFZQYDCSBF-YADARESESA-N 1 1 400.526 4.192 20 30 HIEDMO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000513253727 921658755 /nfs/dbraw/zinc/65/87/55/921658755.db2.gz CXEIZHGIRFTYOF-HXUWFJFHSA-N 1 1 413.521 4.388 20 30 HIEDMO N#Cc1cccc(CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000502593401 911595236 /nfs/dbraw/zinc/59/52/36/911595236.db2.gz CKOYAZMNDJAZTN-UHFFFAOYSA-N 1 1 408.505 4.155 20 30 HIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCc1cccs1 ZINC000502671770 911713820 /nfs/dbraw/zinc/71/38/20/911713820.db2.gz TYHRCVHPJLOQOL-MRXNPFEDSA-N 1 1 414.340 4.215 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCc1cccs1 ZINC000502671770 911713828 /nfs/dbraw/zinc/71/38/28/911713828.db2.gz TYHRCVHPJLOQOL-MRXNPFEDSA-N 1 1 414.340 4.215 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742856 911767169 /nfs/dbraw/zinc/76/71/69/911767169.db2.gz AYEOZDHRRZIRAX-REWPJTCUSA-N 1 1 420.488 4.054 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742856 911767183 /nfs/dbraw/zinc/76/71/83/911767183.db2.gz AYEOZDHRRZIRAX-REWPJTCUSA-N 1 1 420.488 4.054 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502967985 911949898 /nfs/dbraw/zinc/94/98/98/911949898.db2.gz FYYMTTHYEFMBEX-QGZVFWFLSA-N 1 1 403.486 4.238 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000506280961 914880800 /nfs/dbraw/zinc/88/08/00/914880800.db2.gz LXORLRSSLGAHNJ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000506280961 914880803 /nfs/dbraw/zinc/88/08/03/914880803.db2.gz LXORLRSSLGAHNJ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000506280961 914880807 /nfs/dbraw/zinc/88/08/07/914880807.db2.gz LXORLRSSLGAHNJ-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506477452 915081146 /nfs/dbraw/zinc/08/11/46/915081146.db2.gz BEBUMAHQDXIQSA-PKTZIBPZSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093621 /nfs/dbraw/zinc/09/36/21/915093621.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 1 1 414.619 4.023 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000506499203 915114343 /nfs/dbraw/zinc/11/43/43/915114343.db2.gz JZPAFUMUOZNCRJ-UHFFFAOYSA-N 1 1 419.573 4.078 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000507222868 915977130 /nfs/dbraw/zinc/97/71/30/915977130.db2.gz XDERNKOAIGWCMO-HXUWFJFHSA-N 1 1 419.550 4.102 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000507721171 916513484 /nfs/dbraw/zinc/51/34/84/916513484.db2.gz AGANYNMDHGMWKO-HSZRJFAPSA-N 1 1 405.542 4.231 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000507721171 916513499 /nfs/dbraw/zinc/51/34/99/916513499.db2.gz AGANYNMDHGMWKO-HSZRJFAPSA-N 1 1 405.542 4.231 20 30 HIEDMO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508480497 917265225 /nfs/dbraw/zinc/26/52/25/917265225.db2.gz HONLRWQIYVXCGT-INIZCTEOSA-N 1 1 407.484 4.318 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508502973 917288582 /nfs/dbraw/zinc/28/85/82/917288582.db2.gz DEXLICBEPZBQQX-REWPJTCUSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508505701 917291946 /nfs/dbraw/zinc/29/19/46/917291946.db2.gz OAXXZDNBQHHOLG-PMACEKPBSA-N 1 1 409.578 4.231 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(COc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000508528472 917310592 /nfs/dbraw/zinc/31/05/92/917310592.db2.gz NBOQXMLEPVIIDY-UHFFFAOYSA-N 1 1 411.933 4.378 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508730271 917491936 /nfs/dbraw/zinc/49/19/36/917491936.db2.gz OCMUSCITJVVVMD-WMZHIEFXSA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508749743 917507099 /nfs/dbraw/zinc/50/70/99/917507099.db2.gz WZJGKUWIYNTSPX-IBGZPJMESA-N 1 1 423.586 4.296 20 30 HIEDMO Cn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000509096775 917837204 /nfs/dbraw/zinc/83/72/04/917837204.db2.gz PVANFRNRRIVPGY-UHFFFAOYSA-N 1 1 405.933 4.324 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@@H+](C)C[C@@H]3C)sc2C1 ZINC000509462987 918112508 /nfs/dbraw/zinc/11/25/08/918112508.db2.gz JPBWTWKZAIEUHI-IXDOHACOSA-N 1 1 416.635 4.124 20 30 HIEDMO CC[N@@H+](Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C[C@H](C)C#N ZINC000509786406 918394268 /nfs/dbraw/zinc/39/42/68/918394268.db2.gz LJSKVTVUIYNGSS-MRXNPFEDSA-N 1 1 415.921 4.348 20 30 HIEDMO CC[N@H+](Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C[C@H](C)C#N ZINC000509786406 918394281 /nfs/dbraw/zinc/39/42/81/918394281.db2.gz LJSKVTVUIYNGSS-MRXNPFEDSA-N 1 1 415.921 4.348 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000510531462 918977478 /nfs/dbraw/zinc/97/74/78/918977478.db2.gz CFFBWHWLTNKCJK-HNNXBMFYSA-N 1 1 408.477 4.071 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000510531462 918977486 /nfs/dbraw/zinc/97/74/86/918977486.db2.gz CFFBWHWLTNKCJK-HNNXBMFYSA-N 1 1 408.477 4.071 20 30 HIEDMO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510787646 919255946 /nfs/dbraw/zinc/25/59/46/919255946.db2.gz MFKKFDXQTRMFLG-MJGOQNOKSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934547 919456547 /nfs/dbraw/zinc/45/65/47/919456547.db2.gz FYQFHGHQOFIKIQ-MSOLQXFVSA-N 1 1 419.529 4.052 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127683 919739644 /nfs/dbraw/zinc/73/96/44/919739644.db2.gz VFJCCNGMITUCKO-ZDUSSCGKSA-N 1 1 409.408 4.168 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127683 919739662 /nfs/dbraw/zinc/73/96/62/919739662.db2.gz VFJCCNGMITUCKO-ZDUSSCGKSA-N 1 1 409.408 4.168 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000511738412 920410437 /nfs/dbraw/zinc/41/04/37/920410437.db2.gz BHSCKNNJYTWMBN-UHFFFAOYSA-N 1 1 404.539 4.306 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1Cl ZINC000511781456 920473304 /nfs/dbraw/zinc/47/33/04/920473304.db2.gz NZUFHPMXQPTYCC-URVUXULASA-N 1 1 409.917 4.045 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC000511822483 920519505 /nfs/dbraw/zinc/51/95/05/920519505.db2.gz LUKOLZQZVLWNFN-UHFFFAOYSA-N 1 1 413.521 4.487 20 30 HIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511841358 920553965 /nfs/dbraw/zinc/55/39/65/920553965.db2.gz CHGQZXUKCRNHNC-GOSISDBHSA-N 1 1 404.432 4.275 20 30 HIEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511841360 920554046 /nfs/dbraw/zinc/55/40/46/920554046.db2.gz CHGQZXUKCRNHNC-SFHVURJKSA-N 1 1 404.432 4.275 20 30 HIEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000511906977 920646797 /nfs/dbraw/zinc/64/67/97/920646797.db2.gz ALORVSQHMKNQGH-NRFANRHFSA-N 1 1 406.530 4.328 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512151965 920893749 /nfs/dbraw/zinc/89/37/49/920893749.db2.gz JPHBLPLSZUFPFD-WZONZLPQSA-N 1 1 422.573 4.425 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512352542 921097421 /nfs/dbraw/zinc/09/74/21/921097421.db2.gz NVIROEBEKBTPEL-PGRDOPGGSA-N 1 1 423.582 4.249 20 30 HIEDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000513970447 922290276 /nfs/dbraw/zinc/29/02/76/922290276.db2.gz QDUSSDYNSMQGLV-MRXNPFEDSA-N 1 1 402.589 4.286 20 30 HIEDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000513970447 922290294 /nfs/dbraw/zinc/29/02/94/922290294.db2.gz QDUSSDYNSMQGLV-MRXNPFEDSA-N 1 1 402.589 4.286 20 30 HIEDMO CN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC000515813881 923367759 /nfs/dbraw/zinc/36/77/59/923367759.db2.gz DLEBOUWESUVWNA-UHFFFAOYSA-N 1 1 410.521 4.225 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000516775984 923883770 /nfs/dbraw/zinc/88/37/70/923883770.db2.gz LWCNVQPQPYNDEA-UHFFFAOYSA-N 1 1 401.432 4.314 20 30 HIEDMO Cc1cc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)cc(N2CCCC2)[nH+]1 ZINC000517448990 924197875 /nfs/dbraw/zinc/19/78/75/924197875.db2.gz JMIUYWHMOGULAG-UHFFFAOYSA-N 1 1 409.440 4.046 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000517581183 926693626 /nfs/dbraw/zinc/69/36/26/926693626.db2.gz GZDJPHNGFCWKMP-QFIPXVFZSA-N 1 1 422.548 4.328 20 30 HIEDMO C=CCc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1OC ZINC000517717509 926812610 /nfs/dbraw/zinc/81/26/10/926812610.db2.gz SLOJVEAJQNOXIL-HXUWFJFHSA-N 1 1 402.922 4.005 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761651 926825248 /nfs/dbraw/zinc/82/52/48/926825248.db2.gz NCWOKEYCDFGBRK-SLFFLAALSA-N 1 1 403.615 4.083 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000518011952 926952021 /nfs/dbraw/zinc/95/20/21/926952021.db2.gz SPDNKLPEYPFAMP-VWLOTQADSA-N 1 1 414.557 4.019 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255547 927111519 /nfs/dbraw/zinc/11/15/19/927111519.db2.gz PASXOZNOOVQAAR-OAHLLOKOSA-N 1 1 421.892 4.115 20 30 HIEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255547 927111523 /nfs/dbraw/zinc/11/15/23/927111523.db2.gz PASXOZNOOVQAAR-OAHLLOKOSA-N 1 1 421.892 4.115 20 30 HIEDMO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000518328523 927193629 /nfs/dbraw/zinc/19/36/29/927193629.db2.gz HTAPVIVALDXTPY-UHFFFAOYSA-N 1 1 421.541 4.027 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753065 927478016 /nfs/dbraw/zinc/47/80/16/927478016.db2.gz FOMQVYQNJGHYPB-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753065 927478018 /nfs/dbraw/zinc/47/80/18/927478018.db2.gz FOMQVYQNJGHYPB-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO CC(C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000518921242 927627595 /nfs/dbraw/zinc/62/75/95/927627595.db2.gz OHHLUTOTUXVTKB-RUZDIDTESA-N 1 1 419.569 4.306 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(F)ccc3Br)CC2)cc1 ZINC000519160515 927807203 /nfs/dbraw/zinc/80/72/03/927807203.db2.gz MCZPYWKXWAPQJZ-UHFFFAOYSA-N 1 1 402.311 4.168 20 30 HIEDMO C[NH+](C)Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1Br ZINC000519197370 927822465 /nfs/dbraw/zinc/82/24/65/927822465.db2.gz YVALPODBYJPNHP-UHFFFAOYSA-N 1 1 413.363 4.463 20 30 HIEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000519799707 928082947 /nfs/dbraw/zinc/08/29/47/928082947.db2.gz WYSTUWSMNGCJHI-NRFANRHFSA-N 1 1 405.885 4.362 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000519907711 928142429 /nfs/dbraw/zinc/14/24/29/928142429.db2.gz WTODLNFPOOGYTN-UHFFFAOYSA-N 1 1 424.957 4.317 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000520149537 928342685 /nfs/dbraw/zinc/34/26/85/928342685.db2.gz JAHHSPDMBQHJLR-HSZRJFAPSA-N 1 1 403.526 4.104 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000520785374 928817037 /nfs/dbraw/zinc/81/70/37/928817037.db2.gz OATZXDUWWLKINE-QFIPXVFZSA-N 1 1 409.505 4.178 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1C#N ZINC000522005943 929617034 /nfs/dbraw/zinc/61/70/34/929617034.db2.gz JCHKVAYWCMVSLM-UHFFFAOYSA-N 1 1 408.571 4.323 20 30 HIEDMO C[C@@H](c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000522019690 929620402 /nfs/dbraw/zinc/62/04/02/929620402.db2.gz DCZUEKYQOZIKMH-IBGZPJMESA-N 1 1 407.514 4.139 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000524894175 929876664 /nfs/dbraw/zinc/87/66/64/929876664.db2.gz COUDJTRBHNXQTM-UHFFFAOYSA-N 1 1 421.932 4.012 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000524894175 929876668 /nfs/dbraw/zinc/87/66/68/929876668.db2.gz COUDJTRBHNXQTM-UHFFFAOYSA-N 1 1 421.932 4.012 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000524894175 929876673 /nfs/dbraw/zinc/87/66/73/929876673.db2.gz COUDJTRBHNXQTM-UHFFFAOYSA-N 1 1 421.932 4.012 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3OCC3CC3)CC2)cc1 ZINC000524935363 929898457 /nfs/dbraw/zinc/89/84/57/929898457.db2.gz FJKAGGKTLIBCMQ-UHFFFAOYSA-N 1 1 422.504 4.226 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3OCC3CC3)CC2)cc1 ZINC000524935363 929898459 /nfs/dbraw/zinc/89/84/59/929898459.db2.gz FJKAGGKTLIBCMQ-UHFFFAOYSA-N 1 1 422.504 4.226 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000525423282 930233222 /nfs/dbraw/zinc/23/32/22/930233222.db2.gz LWHQNDXJXUQXHR-UHFFFAOYSA-N 1 1 408.477 4.039 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515690 930734081 /nfs/dbraw/zinc/73/40/81/930734081.db2.gz KFBHIPIITCUYOM-IEBWSBKVSA-N 1 1 418.419 4.066 20 30 HIEDMO N#Cc1cccc(CC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000530676662 930795616 /nfs/dbraw/zinc/79/56/16/930795616.db2.gz QGXBSYLWRWDZDS-OAQYLSRUSA-N 1 1 415.459 4.014 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000531673681 931145985 /nfs/dbraw/zinc/14/59/85/931145985.db2.gz RKVJLZJKTXEQSJ-FGZHOGPDSA-N 1 1 420.513 4.115 20 30 HIEDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000531897854 931238980 /nfs/dbraw/zinc/23/89/80/931238980.db2.gz NIBNOLYRTFDELZ-SFHVURJKSA-N 1 1 409.530 4.053 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000532490407 931458882 /nfs/dbraw/zinc/45/88/82/931458882.db2.gz WIWIEDOMGQTIBI-QGZVFWFLSA-N 1 1 401.457 4.001 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000532701370 931595198 /nfs/dbraw/zinc/59/51/98/931595198.db2.gz SXFLYZMEZHMCRE-GSPCLOLRSA-N 1 1 410.606 4.276 20 30 HIEDMO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000532946424 931706813 /nfs/dbraw/zinc/70/68/13/931706813.db2.gz OKTQYCIJQSUFFR-SFHVURJKSA-N 1 1 413.543 4.063 20 30 HIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000532946424 931706817 /nfs/dbraw/zinc/70/68/17/931706817.db2.gz OKTQYCIJQSUFFR-SFHVURJKSA-N 1 1 413.543 4.063 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970308 931720166 /nfs/dbraw/zinc/72/01/66/931720166.db2.gz GRIDPWUTTIWQDK-XQTRSNPVSA-N 1 1 415.603 4.402 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013285 931736204 /nfs/dbraw/zinc/73/62/04/931736204.db2.gz IAJNYLBBTIAOPI-XLIONFOSSA-N 1 1 402.523 4.153 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013285 931736210 /nfs/dbraw/zinc/73/62/10/931736210.db2.gz IAJNYLBBTIAOPI-XLIONFOSSA-N 1 1 402.523 4.153 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCOc1ccccc1Cl ZINC000533218893 931812644 /nfs/dbraw/zinc/81/26/44/931812644.db2.gz CPLIIYVCMMYLLJ-INIZCTEOSA-N 1 1 403.885 4.125 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCOc1ccccc1Cl ZINC000533218893 931812647 /nfs/dbraw/zinc/81/26/47/931812647.db2.gz CPLIIYVCMMYLLJ-INIZCTEOSA-N 1 1 403.885 4.125 20 30 HIEDMO CC[N@@H+](CCc1cccs1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000533397681 931858029 /nfs/dbraw/zinc/85/80/29/931858029.db2.gz BFIDEXLWXQJXNN-UHFFFAOYSA-N 1 1 410.543 4.183 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533432126 931866946 /nfs/dbraw/zinc/86/69/46/931866946.db2.gz WATJMBPVKCNSQK-HBGVWJBISA-N 1 1 415.603 4.353 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000533866732 932070918 /nfs/dbraw/zinc/07/09/18/932070918.db2.gz JSEUOCPLVOFICF-GOSISDBHSA-N 1 1 406.555 4.418 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534220145 932339814 /nfs/dbraw/zinc/33/98/14/932339814.db2.gz ZJUVZZGFROKDGF-UHFFFAOYSA-N 1 1 405.567 4.165 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534245225 932362551 /nfs/dbraw/zinc/36/25/51/932362551.db2.gz BUIBZOIGOMTEGT-LAUBAEHRSA-N 1 1 411.908 4.192 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)cc1 ZINC000534323409 932382946 /nfs/dbraw/zinc/38/29/46/932382946.db2.gz FUIWJDXPHWNRMK-XMMPIXPASA-N 1 1 407.473 4.133 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)cc1 ZINC000534323409 932382949 /nfs/dbraw/zinc/38/29/49/932382949.db2.gz FUIWJDXPHWNRMK-XMMPIXPASA-N 1 1 407.473 4.133 20 30 HIEDMO N#Cc1ccc([C@H]([NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C(N)=O)cc1 ZINC000538322554 938592250 /nfs/dbraw/zinc/59/22/50/938592250.db2.gz CASCTBFEGUUHLS-MSOLQXFVSA-N 1 1 407.823 4.498 20 30 HIEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000538467518 938628764 /nfs/dbraw/zinc/62/87/64/938628764.db2.gz IHKKPKQFGZEKAK-MRXNPFEDSA-N 1 1 403.324 4.500 20 30 HIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000538467518 938628767 /nfs/dbraw/zinc/62/87/67/938628767.db2.gz IHKKPKQFGZEKAK-MRXNPFEDSA-N 1 1 403.324 4.500 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538521517 938640713 /nfs/dbraw/zinc/64/07/13/938640713.db2.gz BZPLFNYFPSLDSP-NHCUHLMSSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538521517 938640715 /nfs/dbraw/zinc/64/07/15/938640715.db2.gz BZPLFNYFPSLDSP-NHCUHLMSSA-N 1 1 414.912 4.374 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732246 938695853 /nfs/dbraw/zinc/69/58/53/938695853.db2.gz YDVSKBHXXYUIQS-HNNXBMFYSA-N 1 1 415.444 4.022 20 30 HIEDMO N#CCCn1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2ccccc2)n1 ZINC000538792286 938713062 /nfs/dbraw/zinc/71/30/62/938713062.db2.gz MQEZLLTZDYBNDC-DEOSSOPVSA-N 1 1 400.526 4.297 20 30 HIEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000539096468 938802256 /nfs/dbraw/zinc/80/22/56/938802256.db2.gz HOGWWDIRWOTCTF-IBGZPJMESA-N 1 1 416.566 4.176 20 30 HIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000539270191 938830788 /nfs/dbraw/zinc/83/07/88/938830788.db2.gz HWJQTUVTWNHLGW-GJZGRUSLSA-N 1 1 401.507 4.375 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(F)c(F)c1 ZINC000539327418 938842351 /nfs/dbraw/zinc/84/23/51/938842351.db2.gz ZLBCZFQGUUZZNS-HXUWFJFHSA-N 1 1 421.875 4.151 20 30 HIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832771 938951562 /nfs/dbraw/zinc/95/15/62/938951562.db2.gz ZBGKZDMISUGZFS-HNNXBMFYSA-N 1 1 421.455 4.080 20 30 HIEDMO CCN(C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540274095 939179526 /nfs/dbraw/zinc/17/95/26/939179526.db2.gz BWPSMSYISGERSH-IRXDYDNUSA-N 1 1 411.933 4.488 20 30 HIEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000540387935 939224541 /nfs/dbraw/zinc/22/45/41/939224541.db2.gz KIDVWQAVEKIZII-CQSZACIVSA-N 1 1 419.884 4.094 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1=O ZINC000540809866 939379692 /nfs/dbraw/zinc/37/96/92/939379692.db2.gz UVKHHLZAZOCBGH-RTBURBONSA-N 1 1 403.295 4.054 20 30 HIEDMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126006 939470116 /nfs/dbraw/zinc/47/01/16/939470116.db2.gz SPYAVBUPZBDEMA-HSALFYBXSA-N 1 1 420.557 4.085 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1sccc1Br ZINC000541881573 939649024 /nfs/dbraw/zinc/64/90/24/939649024.db2.gz JTHJXKOQERQZQY-BLLLJJGKSA-N 1 1 404.333 4.228 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000542261602 939775880 /nfs/dbraw/zinc/77/58/80/939775880.db2.gz PCSUBTBMFAVJIB-QLBJFCOMSA-N 1 1 403.526 4.034 20 30 HIEDMO CCCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C1CCCC1 ZINC000542336350 939802867 /nfs/dbraw/zinc/80/28/67/939802867.db2.gz DXZDAIRAOISMAV-UHFFFAOYSA-N 1 1 419.573 4.170 20 30 HIEDMO CCCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C1CCCC1 ZINC000542336350 939802869 /nfs/dbraw/zinc/80/28/69/939802869.db2.gz DXZDAIRAOISMAV-UHFFFAOYSA-N 1 1 419.573 4.170 20 30 HIEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2cccc(Cl)c2C#N)CC1 ZINC000543031334 939898900 /nfs/dbraw/zinc/89/89/00/939898900.db2.gz QVLNPJVJYSYVTG-UHFFFAOYSA-N 1 1 413.974 4.347 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C2CC2)n1 ZINC000543477404 940077638 /nfs/dbraw/zinc/07/76/38/940077638.db2.gz WQCUXGBTQJMXBD-IBGZPJMESA-N 1 1 402.951 4.401 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000543503200 940087492 /nfs/dbraw/zinc/08/74/92/940087492.db2.gz GAEFBDMVQPAGNW-MPBGBICISA-N 1 1 402.951 4.231 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000543506204 940088963 /nfs/dbraw/zinc/08/89/63/940088963.db2.gz YDSINNVZUHYDDD-KBPBESRZSA-N 1 1 404.967 4.431 20 30 HIEDMO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870412 940218253 /nfs/dbraw/zinc/21/82/53/940218253.db2.gz XKYOVNVQOBZYCB-MRXNPFEDSA-N 1 1 404.539 4.163 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000544130856 940334171 /nfs/dbraw/zinc/33/41/71/940334171.db2.gz VYQWYXHASRRYIU-QLBJFCOMSA-N 1 1 405.542 4.280 20 30 HIEDMO CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544850460 940519160 /nfs/dbraw/zinc/51/91/60/940519160.db2.gz BZYKADIIARCORC-HSZRJFAPSA-N 1 1 405.542 4.230 20 30 HIEDMO Cc1cc(C#N)ccc1-c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000545002436 940532453 /nfs/dbraw/zinc/53/24/53/940532453.db2.gz JZZLDUMQBAPXRV-UHFFFAOYSA-N 1 1 407.905 4.379 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999964 940672774 /nfs/dbraw/zinc/67/27/74/940672774.db2.gz YZYKDXFYSWBRSU-HTAPYJJXSA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999964 940672777 /nfs/dbraw/zinc/67/27/77/940672777.db2.gz YZYKDXFYSWBRSU-HTAPYJJXSA-N 1 1 421.545 4.035 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546708200 940871446 /nfs/dbraw/zinc/87/14/46/940871446.db2.gz XIDXIRRHCLIZTI-QRWLVFNGSA-N 1 1 416.884 4.174 20 30 HIEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000546927521 940916063 /nfs/dbraw/zinc/91/60/63/940916063.db2.gz WMBIREBYYTZZAV-UHFFFAOYSA-N 1 1 422.529 4.094 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180748 941168910 /nfs/dbraw/zinc/16/89/10/941168910.db2.gz YOBAHDDCHLZSDU-FQEVSTJZSA-N 1 1 405.395 4.476 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180748 941168912 /nfs/dbraw/zinc/16/89/12/941168912.db2.gz YOBAHDDCHLZSDU-FQEVSTJZSA-N 1 1 405.395 4.476 20 30 HIEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549273188 941175931 /nfs/dbraw/zinc/17/59/31/941175931.db2.gz VLTFWQMGNGWHTI-KNQAVFIVSA-N 1 1 409.553 4.037 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000549540622 941198717 /nfs/dbraw/zinc/19/87/17/941198717.db2.gz QMKPUKVGLKVXJP-QFIPXVFZSA-N 1 1 414.557 4.033 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549634703 941202251 /nfs/dbraw/zinc/20/22/51/941202251.db2.gz VXCXSKUTEJITHV-KSEOMHKRSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000549678812 941204240 /nfs/dbraw/zinc/20/42/40/941204240.db2.gz MEEBCJCMWVEVES-SFHVURJKSA-N 1 1 422.964 4.453 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549723616 941205750 /nfs/dbraw/zinc/20/57/50/941205750.db2.gz BYSOYHWBENFDRN-KRWDZBQOSA-N 1 1 417.985 4.351 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914946 941381728 /nfs/dbraw/zinc/38/17/28/941381728.db2.gz ZVSWBPBINNBMPH-XLIONFOSSA-N 1 1 416.447 4.093 20 30 HIEDMO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263488 941438773 /nfs/dbraw/zinc/43/87/73/941438773.db2.gz RMMKJOHSXXCUKW-UGKGYDQZSA-N 1 1 407.533 4.277 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000553026183 941819088 /nfs/dbraw/zinc/81/90/88/941819088.db2.gz FGFJJTYHWQROPF-OAHLLOKOSA-N 1 1 423.492 4.189 20 30 HIEDMO CCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000553063494 941826895 /nfs/dbraw/zinc/82/68/95/941826895.db2.gz ZCLBNRIUFVFHNE-HXUWFJFHSA-N 1 1 409.440 4.092 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 ZINC000553394282 941878725 /nfs/dbraw/zinc/87/87/25/941878725.db2.gz KVIUTSXNEFFCJC-KRWDZBQOSA-N 1 1 411.571 4.222 20 30 HIEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769592 941963150 /nfs/dbraw/zinc/96/31/50/941963150.db2.gz IOLPQJFJDQUKHJ-HOIFWPIMSA-N 1 1 407.489 4.292 20 30 HIEDMO C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000553865637 941987521 /nfs/dbraw/zinc/98/75/21/941987521.db2.gz VZBCKCJQEGOTPI-IBGZPJMESA-N 1 1 403.526 4.084 20 30 HIEDMO C=CC[N@H+](Cc1ccc(Br)cc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553884867 941990789 /nfs/dbraw/zinc/99/07/89/941990789.db2.gz VUTVDBAWEKMYNC-OAHLLOKOSA-N 1 1 423.318 4.046 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553884867 941990797 /nfs/dbraw/zinc/99/07/97/941990797.db2.gz VUTVDBAWEKMYNC-OAHLLOKOSA-N 1 1 423.318 4.046 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000553918134 941997805 /nfs/dbraw/zinc/99/78/05/941997805.db2.gz SWLRLWQIODEEGX-INIZCTEOSA-N 1 1 400.567 4.046 20 30 HIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000554095599 942035489 /nfs/dbraw/zinc/03/54/89/942035489.db2.gz KOJCVFRSZOVSAB-SEJPIABJSA-N 1 1 405.546 4.432 20 30 HIEDMO CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554186230 942061828 /nfs/dbraw/zinc/06/18/28/942061828.db2.gz OVBNYOUKRKODLQ-WCRBZPEASA-N 1 1 422.504 4.365 20 30 HIEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000554242846 942076499 /nfs/dbraw/zinc/07/64/99/942076499.db2.gz ICQFCHOWZJIYND-UHFFFAOYSA-N 1 1 412.331 4.057 20 30 HIEDMO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)c1C#N ZINC000554958559 942334105 /nfs/dbraw/zinc/33/41/05/942334105.db2.gz NDBSSTISNPPLQB-UHFFFAOYSA-N 1 1 401.304 4.441 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987567 942344261 /nfs/dbraw/zinc/34/42/61/942344261.db2.gz FNCZNQBFJGRHCO-BJKOFHAPSA-N 1 1 402.519 4.328 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000555256017 942448612 /nfs/dbraw/zinc/44/86/12/942448612.db2.gz SAYMJKSBUJBEEK-SFTDATJTSA-N 1 1 411.594 4.323 20 30 HIEDMO CCC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)Cc1ccc(C#N)cc1 ZINC000555481473 942583780 /nfs/dbraw/zinc/58/37/80/942583780.db2.gz UYASQZBNEPFFMG-UHFFFAOYSA-N 1 1 405.542 4.408 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000556545533 942895518 /nfs/dbraw/zinc/89/55/18/942895518.db2.gz LWURNTFSMUARTM-FQEVSTJZSA-N 1 1 408.521 4.294 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000556862142 942943644 /nfs/dbraw/zinc/94/36/44/942943644.db2.gz ABMDNQXAWAHUQG-KRWDZBQOSA-N 1 1 424.854 4.270 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000556862142 942943649 /nfs/dbraw/zinc/94/36/49/942943649.db2.gz ABMDNQXAWAHUQG-KRWDZBQOSA-N 1 1 424.854 4.270 20 30 HIEDMO C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557448911 943132923 /nfs/dbraw/zinc/13/29/23/943132923.db2.gz PLSJMIBEBKHTNJ-XMMPIXPASA-N 1 1 414.553 4.376 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000558418169 943554389 /nfs/dbraw/zinc/55/43/89/943554389.db2.gz QPPMDHOKKFHGSL-UHFFFAOYSA-N 1 1 407.518 4.204 20 30 HIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000558418169 943554394 /nfs/dbraw/zinc/55/43/94/943554394.db2.gz QPPMDHOKKFHGSL-UHFFFAOYSA-N 1 1 407.518 4.204 20 30 HIEDMO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558675643 943626733 /nfs/dbraw/zinc/62/67/33/943626733.db2.gz QRNJPRSCAVNVTM-UHFFFAOYSA-N 1 1 417.985 4.253 20 30 HIEDMO COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000559203976 943871426 /nfs/dbraw/zinc/87/14/26/943871426.db2.gz MZMCBKQGQBXJKI-UHFFFAOYSA-N 1 1 423.513 4.411 20 30 HIEDMO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000559203976 943871427 /nfs/dbraw/zinc/87/14/27/943871427.db2.gz MZMCBKQGQBXJKI-UHFFFAOYSA-N 1 1 423.513 4.411 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000560132641 944172057 /nfs/dbraw/zinc/17/20/57/944172057.db2.gz CKNVOSVYCCOTRZ-KZNAEPCWSA-N 1 1 418.887 4.363 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000560132641 944172060 /nfs/dbraw/zinc/17/20/60/944172060.db2.gz CKNVOSVYCCOTRZ-KZNAEPCWSA-N 1 1 418.887 4.363 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598166 944269827 /nfs/dbraw/zinc/26/98/27/944269827.db2.gz BCSAEISKTCYCMG-IBGZPJMESA-N 1 1 419.916 4.416 20 30 HIEDMO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000560601548 944270819 /nfs/dbraw/zinc/27/08/19/944270819.db2.gz RUSOHNKYFQYOIR-IBGZPJMESA-N 1 1 419.916 4.416 20 30 HIEDMO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000561057468 944419914 /nfs/dbraw/zinc/41/99/14/944419914.db2.gz SVBVLHHIGHUYCW-ROUUACIJSA-N 1 1 416.997 4.055 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000561241032 944525586 /nfs/dbraw/zinc/52/55/86/944525586.db2.gz DPGRRURXKQGOOZ-QFIPXVFZSA-N 1 1 412.553 4.420 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885231 /nfs/dbraw/zinc/88/52/31/944885231.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000561983071 944885234 /nfs/dbraw/zinc/88/52/34/944885234.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OCC ZINC000561983071 944885243 /nfs/dbraw/zinc/88/52/43/944885243.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045224 944908201 /nfs/dbraw/zinc/90/82/01/944908201.db2.gz AWKZWCDLEIJGMR-AZUAARDMSA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045224 944908206 /nfs/dbraw/zinc/90/82/06/944908206.db2.gz AWKZWCDLEIJGMR-AZUAARDMSA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000562047612 944910464 /nfs/dbraw/zinc/91/04/64/944910464.db2.gz YBVSXOKUAGHTPJ-KOSHJBKYSA-N 1 1 421.566 4.347 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000562047612 944910468 /nfs/dbraw/zinc/91/04/68/944910468.db2.gz YBVSXOKUAGHTPJ-KOSHJBKYSA-N 1 1 421.566 4.347 20 30 HIEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC000562068241 944920568 /nfs/dbraw/zinc/92/05/68/944920568.db2.gz NXXWMVMDBQTCKO-UHFFFAOYSA-N 1 1 406.935 4.061 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000565528080 945845327 /nfs/dbraw/zinc/84/53/27/945845327.db2.gz PORLKTZACHMUNI-HXUWFJFHSA-N 1 1 403.551 4.376 20 30 HIEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000565863004 945898249 /nfs/dbraw/zinc/89/82/49/945898249.db2.gz QPRZDGFRBUREIX-GOSISDBHSA-N 1 1 415.497 4.388 20 30 HIEDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)cc1 ZINC000571728493 947766843 /nfs/dbraw/zinc/76/68/43/947766843.db2.gz KCCHAWKJKYUYEX-UHFFFAOYSA-N 1 1 415.459 4.414 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(c4ccccc4)CC3)sc2C1 ZINC000573026346 948063001 /nfs/dbraw/zinc/06/30/01/948063001.db2.gz BUZCVEZSUZYYQS-GOSISDBHSA-N 1 1 422.598 4.285 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573113496 948080643 /nfs/dbraw/zinc/08/06/43/948080643.db2.gz VBVZEQYKVLJJCX-QUCCMNQESA-N 1 1 414.912 4.398 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573113496 948080652 /nfs/dbraw/zinc/08/06/52/948080652.db2.gz VBVZEQYKVLJJCX-QUCCMNQESA-N 1 1 414.912 4.398 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000573632031 948258539 /nfs/dbraw/zinc/25/85/39/948258539.db2.gz PBOLXVAQXBHMGN-UHFFFAOYSA-N 1 1 419.447 4.333 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000573632031 948258552 /nfs/dbraw/zinc/25/85/52/948258552.db2.gz PBOLXVAQXBHMGN-UHFFFAOYSA-N 1 1 419.447 4.333 20 30 HIEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000574962092 948566231 /nfs/dbraw/zinc/56/62/31/948566231.db2.gz PFMYWVHSXPEASH-UHFFFAOYSA-N 1 1 409.574 4.368 20 30 HIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626625 719070690 /nfs/dbraw/zinc/07/06/90/719070690.db2.gz OVIVXCRGUNDGSM-LPHOPBHVSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627785 719080093 /nfs/dbraw/zinc/08/00/93/719080093.db2.gz QRDBBRAFOLNEFY-QFBILLFUSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628835 719090058 /nfs/dbraw/zinc/09/00/58/719090058.db2.gz OXGQIWUYJCALLE-QFBILLFUSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)c(F)cc2C#N)CC3)cs1 ZINC001164690931 719803611 /nfs/dbraw/zinc/80/36/11/719803611.db2.gz CRPHZDGTNGMHJU-UHFFFAOYSA-N 1 1 405.930 4.146 20 30 HIEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722408 720483209 /nfs/dbraw/zinc/48/32/09/720483209.db2.gz AFQXPHILTMTKGB-PMACEKPBSA-N 1 1 407.880 4.147 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731179 720490595 /nfs/dbraw/zinc/49/05/95/720490595.db2.gz WJTVZCVJIDBCAO-WOJBJXKFSA-N 1 1 403.917 4.317 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164840472 720684012 /nfs/dbraw/zinc/68/40/12/720684012.db2.gz FEPNBWPWEWOCFW-HSZRJFAPSA-N 1 1 412.537 4.366 20 30 HIEDMO Cc1ccc2nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164780961 721439964 /nfs/dbraw/zinc/43/99/64/721439964.db2.gz DDUSFELWUYFDEO-GJZGRUSLSA-N 1 1 409.946 4.093 20 30 HIEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909901 721552117 /nfs/dbraw/zinc/55/21/17/721552117.db2.gz VDLGEOZVZMWZSK-WMZOPIPTSA-N 1 1 422.891 4.241 20 30 HIEDMO N#Cc1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908505 721699489 /nfs/dbraw/zinc/69/94/89/721699489.db2.gz ZOTXHCBNSQLZKW-HSZRJFAPSA-N 1 1 419.479 4.239 20 30 HIEDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001165028089 721801571 /nfs/dbraw/zinc/80/15/71/721801571.db2.gz YFWSTWCALQREMD-WMQCIHAUSA-N 1 1 409.965 4.355 20 30 HIEDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001165028087 721801614 /nfs/dbraw/zinc/80/16/14/721801614.db2.gz YFWSTWCALQREMD-IOMROCGXSA-N 1 1 409.965 4.355 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164952437 722014603 /nfs/dbraw/zinc/01/46/03/722014603.db2.gz KJNJBWCLFBPFJZ-UHFFFAOYSA-N 1 1 416.356 4.456 20 30 HIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951741 722016033 /nfs/dbraw/zinc/01/60/33/722016033.db2.gz DCLSSSPVEIWCKW-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000436048659 861337672 /nfs/dbraw/zinc/33/76/72/861337672.db2.gz WHUZZEJZKFIHHD-NRFANRHFSA-N 1 1 420.944 4.442 20 30 HIEDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855842 845986660 /nfs/dbraw/zinc/98/66/60/845986660.db2.gz ZDRQZTNVCNNTOC-KRWDZBQOSA-N 1 1 405.523 4.066 20 30 HIEDMO COc1cc(C[N@@H+](CCC(=O)Nc2sccc2C#N)C2CC2)ccc1OC(F)F ZINC000021672571 846480962 /nfs/dbraw/zinc/48/09/62/846480962.db2.gz UVBLPNFMZSFXRK-UHFFFAOYSA-N 1 1 421.469 4.223 20 30 HIEDMO C=CCOc1ccc(CNc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)cc1Cl ZINC000436419779 861775689 /nfs/dbraw/zinc/77/56/89/861775689.db2.gz ZXQBCPRZBBDRNC-UHFFFAOYSA-N 1 1 413.949 4.181 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961459 847484581 /nfs/dbraw/zinc/48/45/81/847484581.db2.gz RWOBDEWBFSPFHU-FQEVSTJZSA-N 1 1 412.537 4.246 20 30 HIEDMO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029569535 847580866 /nfs/dbraw/zinc/58/08/66/847580866.db2.gz GHYFQRSLYIOCBG-FQEVSTJZSA-N 1 1 405.542 4.185 20 30 HIEDMO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029569535 847580874 /nfs/dbraw/zinc/58/08/74/847580874.db2.gz GHYFQRSLYIOCBG-FQEVSTJZSA-N 1 1 405.542 4.185 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cc1 ZINC000029781346 847617968 /nfs/dbraw/zinc/61/79/68/847617968.db2.gz IHXZFIOJGILQKY-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cc1 ZINC000029781346 847617972 /nfs/dbraw/zinc/61/79/72/847617972.db2.gz IHXZFIOJGILQKY-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)cc1N(C)C ZINC000436483461 861820028 /nfs/dbraw/zinc/82/00/28/861820028.db2.gz CHWMHWZOJHXYHV-LJQANCHMSA-N 1 1 405.546 4.061 20 30 HIEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000032056799 847982969 /nfs/dbraw/zinc/98/29/69/847982969.db2.gz RBOCENMZQBUXST-ROUUACIJSA-N 1 1 423.582 4.327 20 30 HIEDMO C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000042019618 848274237 /nfs/dbraw/zinc/27/42/37/848274237.db2.gz DGGGYYPBCHGHSE-SFHVURJKSA-N 1 1 418.541 4.139 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742071 848350423 /nfs/dbraw/zinc/35/04/23/848350423.db2.gz LHVANCOVJRDYBO-AWEZNQCLSA-N 1 1 401.894 4.250 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742071 848350431 /nfs/dbraw/zinc/35/04/31/848350431.db2.gz LHVANCOVJRDYBO-AWEZNQCLSA-N 1 1 401.894 4.250 20 30 HIEDMO CCC(CC)c1nnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043697995 848451304 /nfs/dbraw/zinc/45/13/04/848451304.db2.gz QLYLKTFGYQYMTJ-UHFFFAOYSA-N 1 1 412.563 4.053 20 30 HIEDMO CCC(CC)c1nnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043697995 848451312 /nfs/dbraw/zinc/45/13/12/848451312.db2.gz QLYLKTFGYQYMTJ-UHFFFAOYSA-N 1 1 412.563 4.053 20 30 HIEDMO N#CC1(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CCCC1 ZINC000044519293 848564443 /nfs/dbraw/zinc/56/44/43/848564443.db2.gz UXVGHMSFCOIXIF-UHFFFAOYSA-N 1 1 402.542 4.027 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000046744108 848924061 /nfs/dbraw/zinc/92/40/61/848924061.db2.gz MEAJGKZQZKSVCD-DEOSSOPVSA-N 1 1 411.505 4.142 20 30 HIEDMO CCCOc1cc(C)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047766155 849107570 /nfs/dbraw/zinc/10/75/70/849107570.db2.gz WFCIUXCRIYFDFN-UHFFFAOYSA-N 1 1 406.530 4.395 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136860 849356278 /nfs/dbraw/zinc/35/62/78/849356278.db2.gz ZEIHTKJREMISQH-SFHVURJKSA-N 1 1 401.551 4.497 20 30 HIEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472392 849472990 /nfs/dbraw/zinc/47/29/90/849472990.db2.gz XEPMLMQYYGTZJT-TZIWHRDSSA-N 1 1 415.331 4.092 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508529 849590380 /nfs/dbraw/zinc/59/03/80/849590380.db2.gz KDXAOMGBOPNSRF-IBGZPJMESA-N 1 1 411.509 4.089 20 30 HIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000063559712 851713957 /nfs/dbraw/zinc/71/39/57/851713957.db2.gz LKSLUWZUCGEONA-UHFFFAOYSA-N 1 1 401.514 4.130 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000063559264 851714177 /nfs/dbraw/zinc/71/41/77/851714177.db2.gz GYKYUEYPHCBIHU-SFHVURJKSA-N 1 1 409.555 4.118 20 30 HIEDMO COc1ccc2c(c1)C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000065163388 852082668 /nfs/dbraw/zinc/08/26/68/852082668.db2.gz KBCATDRWMRDZJN-UHFFFAOYSA-N 1 1 409.555 4.284 20 30 HIEDMO C=CCc1cc(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000065290711 852101045 /nfs/dbraw/zinc/10/10/45/852101045.db2.gz GOYTYPQDJATMKE-GCJKJVERSA-N 1 1 423.557 4.067 20 30 HIEDMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097492076 852618346 /nfs/dbraw/zinc/61/83/46/852618346.db2.gz QUQQMDHXGWIPGW-UHFFFAOYSA-N 1 1 404.432 4.211 20 30 HIEDMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097492076 852618348 /nfs/dbraw/zinc/61/83/48/852618348.db2.gz QUQQMDHXGWIPGW-UHFFFAOYSA-N 1 1 404.432 4.211 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000105422281 852704571 /nfs/dbraw/zinc/70/45/71/852704571.db2.gz HTOKXJYWSHPUJW-OAHLLOKOSA-N 1 1 415.584 4.180 20 30 HIEDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000105729404 852725443 /nfs/dbraw/zinc/72/54/43/852725443.db2.gz INUQFKYQRANPCJ-GOSISDBHSA-N 1 1 420.513 4.258 20 30 HIEDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000105729404 852725452 /nfs/dbraw/zinc/72/54/52/852725452.db2.gz INUQFKYQRANPCJ-GOSISDBHSA-N 1 1 420.513 4.258 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000109404719 852965620 /nfs/dbraw/zinc/96/56/20/852965620.db2.gz OMFQFQYSYMPFJX-UHFFFAOYSA-N 1 1 415.419 4.302 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000109404719 852965626 /nfs/dbraw/zinc/96/56/26/852965626.db2.gz OMFQFQYSYMPFJX-UHFFFAOYSA-N 1 1 415.419 4.302 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Nc3ccccc3)C2)sc2c1CCCCC2 ZINC000110547013 853115943 /nfs/dbraw/zinc/11/59/43/853115943.db2.gz HRFDKNZFYKSQTN-SFHVURJKSA-N 1 1 408.571 4.404 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)sc2c1CCCCC2 ZINC000110547011 853116251 /nfs/dbraw/zinc/11/62/51/853116251.db2.gz HRFDKNZFYKSQTN-GOSISDBHSA-N 1 1 408.571 4.404 20 30 HIEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000139933614 853426606 /nfs/dbraw/zinc/42/66/06/853426606.db2.gz ZGVSYPKVLCJJBH-APWZRJJASA-N 1 1 400.548 4.190 20 30 HIEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000139933614 853426617 /nfs/dbraw/zinc/42/66/17/853426617.db2.gz ZGVSYPKVLCJJBH-APWZRJJASA-N 1 1 400.548 4.190 20 30 HIEDMO COc1ccc([C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccc(F)cc2)cc1 ZINC000149860509 853632510 /nfs/dbraw/zinc/63/25/10/853632510.db2.gz YTANHCDDJUJJON-HSZRJFAPSA-N 1 1 409.505 4.198 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000210172728 853813587 /nfs/dbraw/zinc/81/35/87/853813587.db2.gz BNBKASORDFVYMF-QFIPXVFZSA-N 1 1 402.450 4.162 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933856 853893650 /nfs/dbraw/zinc/89/36/50/853893650.db2.gz WCKTXRRTVKZUBB-RBUKOAKNSA-N 1 1 402.498 4.343 20 30 HIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236567944 853898534 /nfs/dbraw/zinc/89/85/34/853898534.db2.gz MUMJQOSYEATGGL-UHFFFAOYSA-N 1 1 420.307 4.357 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccco1 ZINC000255945660 854226616 /nfs/dbraw/zinc/22/66/16/854226616.db2.gz ATAXBZKZODLCMB-FQEVSTJZSA-N 1 1 405.523 4.476 20 30 HIEDMO Cc1cc(N2CCC(Nc3cc(C)c(C#N)c4nc5ccccc5n43)CC2)nc(C)[nH+]1 ZINC000301582663 854424712 /nfs/dbraw/zinc/42/47/12/854424712.db2.gz VEDWPFLJCVSOSY-UHFFFAOYSA-N 1 1 411.513 4.155 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000303298720 854859465 /nfs/dbraw/zinc/85/94/65/854859465.db2.gz CEJVOJQIDBZXIY-MRXNPFEDSA-N 1 1 401.507 4.169 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000303298720 854859467 /nfs/dbraw/zinc/85/94/67/854859467.db2.gz CEJVOJQIDBZXIY-MRXNPFEDSA-N 1 1 401.507 4.169 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000303343377 854883154 /nfs/dbraw/zinc/88/31/54/854883154.db2.gz MAWQGOJNZQCWIF-GOSISDBHSA-N 1 1 408.571 4.081 20 30 HIEDMO C=C(C)COc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1OC ZINC000437350047 862627542 /nfs/dbraw/zinc/62/75/42/862627542.db2.gz ZSNINDJSKJDPLM-JPYJTQIMSA-N 1 1 417.571 4.223 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000303559082 855039946 /nfs/dbraw/zinc/03/99/46/855039946.db2.gz KXCSQNOWWWYSPU-DEOSSOPVSA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000303559082 855039950 /nfs/dbraw/zinc/03/99/50/855039950.db2.gz KXCSQNOWWWYSPU-DEOSSOPVSA-N 1 1 411.505 4.266 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303626687 855085825 /nfs/dbraw/zinc/08/58/25/855085825.db2.gz XXJJCJKINIQDLH-SFHVURJKSA-N 1 1 402.420 4.282 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773949 855189839 /nfs/dbraw/zinc/18/98/39/855189839.db2.gz RFCUCNOIQKKQHS-UYAOXDASSA-N 1 1 407.489 4.056 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773949 855189843 /nfs/dbraw/zinc/18/98/43/855189843.db2.gz RFCUCNOIQKKQHS-UYAOXDASSA-N 1 1 407.489 4.056 20 30 HIEDMO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000303775115 855191061 /nfs/dbraw/zinc/19/10/61/855191061.db2.gz RKBZRMGVIQZZAM-NFBKMPQASA-N 1 1 422.569 4.314 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303859526 855254654 /nfs/dbraw/zinc/25/46/54/855254654.db2.gz GGGVPPLSRWVFAI-XOBRGWDASA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303859526 855254665 /nfs/dbraw/zinc/25/46/65/855254665.db2.gz GGGVPPLSRWVFAI-XOBRGWDASA-N 1 1 401.869 4.141 20 30 HIEDMO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000409815106 855669257 /nfs/dbraw/zinc/66/92/57/855669257.db2.gz YXRYASIZHQNAGL-XXBNENTESA-N 1 1 413.525 4.042 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000410417402 855987273 /nfs/dbraw/zinc/98/72/73/855987273.db2.gz HMSFLJCJEWGECU-SFHVURJKSA-N 1 1 410.345 4.497 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)C[C@H](C)O1 ZINC000426165683 856148431 /nfs/dbraw/zinc/14/84/31/856148431.db2.gz JKOPTXUAPNILOX-IYBDPMFKSA-N 1 1 412.921 4.143 20 30 HIEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 ZINC000426522188 856333360 /nfs/dbraw/zinc/33/33/60/856333360.db2.gz JUJFQXNLUDFCHJ-SJORKVTESA-N 1 1 417.619 4.458 20 30 HIEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 ZINC000426522188 856333366 /nfs/dbraw/zinc/33/33/66/856333366.db2.gz JUJFQXNLUDFCHJ-SJORKVTESA-N 1 1 417.619 4.458 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](CCCCO)C3CC3)sc2C1 ZINC000427007331 856592005 /nfs/dbraw/zinc/59/20/05/856592005.db2.gz GVOUYWUMJJNNSG-MRXNPFEDSA-N 1 1 417.619 4.336 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](CCCCO)C3CC3)sc2C1 ZINC000427007331 856592009 /nfs/dbraw/zinc/59/20/09/856592009.db2.gz GVOUYWUMJJNNSG-MRXNPFEDSA-N 1 1 417.619 4.336 20 30 HIEDMO C=CCC[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000427231318 856726419 /nfs/dbraw/zinc/72/64/19/856726419.db2.gz KIELGCUDTODWTE-XMMPIXPASA-N 1 1 407.558 4.001 20 30 HIEDMO CC[N@@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CCC(F)(F)F ZINC000427260021 856741149 /nfs/dbraw/zinc/74/11/49/856741149.db2.gz JFMHZXJUVFUUKV-UHFFFAOYSA-N 1 1 423.410 4.494 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+]C[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000427817114 856968798 /nfs/dbraw/zinc/96/87/98/856968798.db2.gz LANVZZBJLXVHHZ-XZOQPEGZSA-N 1 1 419.912 4.286 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437533574 862870377 /nfs/dbraw/zinc/87/03/77/862870377.db2.gz CDWYNJUHCRUYIE-TZIWHRDSSA-N 1 1 423.582 4.210 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437533574 862870379 /nfs/dbraw/zinc/87/03/79/862870379.db2.gz CDWYNJUHCRUYIE-TZIWHRDSSA-N 1 1 423.582 4.210 20 30 HIEDMO C=CC[N@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000428379721 857183725 /nfs/dbraw/zinc/18/37/25/857183725.db2.gz KKYLYYVWKDFILY-UHFFFAOYSA-N 1 1 408.420 4.349 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)c2)cc1 ZINC000428552733 857261460 /nfs/dbraw/zinc/26/14/60/857261460.db2.gz VOVJYVRJXIUGRK-XMMPIXPASA-N 1 1 412.493 4.121 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802787 857349963 /nfs/dbraw/zinc/34/99/63/857349963.db2.gz JWFRFMVYCRTYKO-NRFANRHFSA-N 1 1 412.493 4.102 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157245 858057116 /nfs/dbraw/zinc/05/71/16/858057116.db2.gz PSRXTLFSWRHERW-XMMPIXPASA-N 1 1 410.477 4.057 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000430739490 858282587 /nfs/dbraw/zinc/28/25/87/858282587.db2.gz HQONGOGUTPSTTI-UHFFFAOYSA-N 1 1 401.535 4.413 20 30 HIEDMO C=CCN1C(=O)N(Cc2ccccc2C[N@H+](C)C(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000430749279 858287346 /nfs/dbraw/zinc/28/73/46/858287346.db2.gz ULYLKDOSFJQXAR-HSZRJFAPSA-N 1 1 405.542 4.088 20 30 HIEDMO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826151 858318999 /nfs/dbraw/zinc/31/89/99/858318999.db2.gz GAGAMBYIDHBOMZ-XMSQKQJNSA-N 1 1 401.514 4.093 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873426 858850010 /nfs/dbraw/zinc/85/00/10/858850010.db2.gz UCCCQNLGQUZDDB-GBXCKJPGSA-N 1 1 420.557 4.142 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873426 858850014 /nfs/dbraw/zinc/85/00/14/858850014.db2.gz UCCCQNLGQUZDDB-GBXCKJPGSA-N 1 1 420.557 4.142 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000467608351 881414397 /nfs/dbraw/zinc/41/43/97/881414397.db2.gz NPZVXAWAZCPJCW-MOPGFXCFSA-N 1 1 406.486 4.060 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433361287 859660623 /nfs/dbraw/zinc/66/06/23/859660623.db2.gz CGYDKQVIEORBLJ-NNMXDRDESA-N 1 1 413.924 4.361 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433488152 859728398 /nfs/dbraw/zinc/72/83/98/859728398.db2.gz SWPOTBOGMOIRMO-NRFANRHFSA-N 1 1 401.510 4.300 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433488152 859728403 /nfs/dbraw/zinc/72/84/03/859728403.db2.gz SWPOTBOGMOIRMO-NRFANRHFSA-N 1 1 401.510 4.300 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c2ccc(F)cc2)cc1 ZINC000433699185 859842719 /nfs/dbraw/zinc/84/27/19/859842719.db2.gz LFRAIMKZUSFQPI-RTWAWAEBSA-N 1 1 421.497 4.252 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690245 881483714 /nfs/dbraw/zinc/48/37/14/881483714.db2.gz COCQLABXQKSCOL-AVRDEDQJSA-N 1 1 412.493 4.138 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434491786 860370701 /nfs/dbraw/zinc/37/07/01/860370701.db2.gz KTTYIYJKBQOMAP-UHFFFAOYSA-N 1 1 409.505 4.293 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000434573104 860409601 /nfs/dbraw/zinc/40/96/01/860409601.db2.gz HKWPFHRSKRODSL-UHFFFAOYSA-N 1 1 415.921 4.470 20 30 HIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434662496 860450610 /nfs/dbraw/zinc/45/06/10/860450610.db2.gz CGFGTNHQDRTWGB-JZGPVCMCSA-N 1 1 413.537 4.040 20 30 HIEDMO N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000435173394 860677860 /nfs/dbraw/zinc/67/78/60/860677860.db2.gz LCESEQQLFBMLJA-QGZVFWFLSA-N 1 1 406.383 4.112 20 30 HIEDMO C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435294567 860724208 /nfs/dbraw/zinc/72/42/08/860724208.db2.gz KNKKGPCSNPZHRF-OAQYLSRUSA-N 1 1 416.525 4.456 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)cc1 ZINC000435567823 860888228 /nfs/dbraw/zinc/88/82/28/860888228.db2.gz RKUOFBQSEXMDQJ-UHFFFAOYSA-N 1 1 422.529 4.094 20 30 HIEDMO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435900344 861156759 /nfs/dbraw/zinc/15/67/59/861156759.db2.gz ARQXZXAVXJSXLW-OXJNMPFZSA-N 1 1 409.473 4.129 20 30 HIEDMO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)s1 ZINC000438551085 863981439 /nfs/dbraw/zinc/98/14/39/863981439.db2.gz KTGXJRNAJUJPFG-UHFFFAOYSA-N 1 1 407.543 4.005 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000438859017 864352583 /nfs/dbraw/zinc/35/25/83/864352583.db2.gz OWGIBXXKKIITRT-YOSAUDMPSA-N 1 1 420.557 4.140 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000438927157 864406391 /nfs/dbraw/zinc/40/63/91/864406391.db2.gz PPDKHRNBMFKDEB-HXUWFJFHSA-N 1 1 415.459 4.393 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439295402 864719878 /nfs/dbraw/zinc/71/98/78/864719878.db2.gz NEVLHPTZMGHOPT-BEFAXECRSA-N 1 1 401.576 4.107 20 30 HIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000439452255 864836533 /nfs/dbraw/zinc/83/65/33/864836533.db2.gz ZYGZYNRPAPFUEV-OAQYLSRUSA-N 1 1 411.933 4.454 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557393 864883549 /nfs/dbraw/zinc/88/35/49/864883549.db2.gz MBWCFHCKRDLWNA-FGZHOGPDSA-N 1 1 418.585 4.486 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557393 864883553 /nfs/dbraw/zinc/88/35/53/864883553.db2.gz MBWCFHCKRDLWNA-FGZHOGPDSA-N 1 1 418.585 4.486 20 30 HIEDMO N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)s2)cc1 ZINC000439936169 865236192 /nfs/dbraw/zinc/23/61/92/865236192.db2.gz WFQUMYGAMLSSNW-QGZVFWFLSA-N 1 1 413.572 4.048 20 30 HIEDMO N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)s2)cc1 ZINC000439936169 865236204 /nfs/dbraw/zinc/23/62/04/865236204.db2.gz WFQUMYGAMLSSNW-QGZVFWFLSA-N 1 1 413.572 4.048 20 30 HIEDMO CC1(c2ccc(Br)cc2)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000440525918 865805102 /nfs/dbraw/zinc/80/51/02/865805102.db2.gz KMBQICAAMKMXFA-UHFFFAOYSA-N 1 1 418.360 4.374 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000440638880 865853359 /nfs/dbraw/zinc/85/33/59/865853359.db2.gz RBBWKDMGCZPSLZ-IFXJQAMLSA-N 1 1 411.347 4.322 20 30 HIEDMO Cc1cccc(C[NH+](CCC(=O)Nc2sccc2C#N)Cc2cccc(C)n2)n1 ZINC000440950207 866043239 /nfs/dbraw/zinc/04/32/39/866043239.db2.gz GHEBDFYDBMFYEU-UHFFFAOYSA-N 1 1 405.527 4.058 20 30 HIEDMO N#CC1CCC(CNC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000441004727 866076700 /nfs/dbraw/zinc/07/67/00/866076700.db2.gz QVYMFXZFYNMOIR-UHFFFAOYSA-N 1 1 414.553 4.414 20 30 HIEDMO CSc1ccccc1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000441028904 866094131 /nfs/dbraw/zinc/09/41/31/866094131.db2.gz IDNOLIXPLHYLDH-SFHVURJKSA-N 1 1 408.571 4.259 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059498 866141251 /nfs/dbraw/zinc/14/12/51/866141251.db2.gz HBHAZUALLYKHSE-ZIAGYGMSSA-N 1 1 414.497 4.072 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059498 866141277 /nfs/dbraw/zinc/14/12/77/866141277.db2.gz HBHAZUALLYKHSE-ZIAGYGMSSA-N 1 1 414.497 4.072 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441076076 866168477 /nfs/dbraw/zinc/16/84/77/866168477.db2.gz QNRNOGSMLCZZTI-CQSZACIVSA-N 1 1 411.449 4.301 20 30 HIEDMO COc1cc(-c2nnc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)o2)cc(OC)c1OC ZINC000441276359 866351875 /nfs/dbraw/zinc/35/18/75/866351875.db2.gz HQILZGCKQNYCTH-UHFFFAOYSA-N 1 1 422.485 4.045 20 30 HIEDMO COc1cc(-c2nnc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)o2)cc(OC)c1OC ZINC000441276359 866351885 /nfs/dbraw/zinc/35/18/85/866351885.db2.gz HQILZGCKQNYCTH-UHFFFAOYSA-N 1 1 422.485 4.045 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[N@@H+]1C ZINC000441357419 866427261 /nfs/dbraw/zinc/42/72/61/866427261.db2.gz NQEUXSGWZBIXHZ-KRWDZBQOSA-N 1 1 402.608 4.023 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[N@H+]1C ZINC000441357419 866427271 /nfs/dbraw/zinc/42/72/71/866427271.db2.gz NQEUXSGWZBIXHZ-KRWDZBQOSA-N 1 1 402.608 4.023 20 30 HIEDMO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000441544676 866620888 /nfs/dbraw/zinc/62/08/88/866620888.db2.gz KMTPVPBTTDZPFK-PGRDOPGGSA-N 1 1 401.514 4.266 20 30 HIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000442886498 867716977 /nfs/dbraw/zinc/71/69/77/867716977.db2.gz SJJNASSNKDFCRA-SFHVURJKSA-N 1 1 404.514 4.334 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c2ccccc21 ZINC000444169977 868647579 /nfs/dbraw/zinc/64/75/79/868647579.db2.gz SHYGVHNAYDTGRE-NRFANRHFSA-N 1 1 401.510 4.276 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000444174823 868649261 /nfs/dbraw/zinc/64/92/61/868649261.db2.gz HTIMHQMFVFRSAO-UPVQGACJSA-N 1 1 419.569 4.477 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC4(CCCCC4)C3)sc2C1 ZINC000444190425 868658216 /nfs/dbraw/zinc/65/82/16/868658216.db2.gz GYDFUUPDHAKFET-INIZCTEOSA-N 1 1 401.576 4.108 20 30 HIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229759 868679007 /nfs/dbraw/zinc/67/90/07/868679007.db2.gz XLKIJTYXWGRVMX-UXHICEINSA-N 1 1 401.576 4.300 20 30 HIEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229757 868679295 /nfs/dbraw/zinc/67/92/95/868679295.db2.gz XLKIJTYXWGRVMX-PMACEKPBSA-N 1 1 401.576 4.300 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666764 868945590 /nfs/dbraw/zinc/94/55/90/868945590.db2.gz RZNGQJTVZRZJMJ-SQJMNOBHSA-N 1 1 413.565 4.362 20 30 HIEDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000444719647 868974707 /nfs/dbraw/zinc/97/47/07/868974707.db2.gz ZJIWLKYZNLIFMN-UHFFFAOYSA-N 1 1 418.360 4.444 20 30 HIEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000444719647 868974713 /nfs/dbraw/zinc/97/47/13/868974713.db2.gz ZJIWLKYZNLIFMN-UHFFFAOYSA-N 1 1 418.360 4.444 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444737587 868983391 /nfs/dbraw/zinc/98/33/91/868983391.db2.gz RALURTZCYFFKKY-SWLSCSKDSA-N 1 1 409.374 4.297 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744879 868984524 /nfs/dbraw/zinc/98/45/24/868984524.db2.gz RMNKOZQALNSMKX-ZBFHGGJFSA-N 1 1 409.374 4.343 20 30 HIEDMO N#Cc1cc(F)c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c(F)c1 ZINC000445799281 869829080 /nfs/dbraw/zinc/82/90/80/869829080.db2.gz VJSVEWVFNFBCEX-QGZVFWFLSA-N 1 1 403.860 4.274 20 30 HIEDMO N#Cc1cc(F)c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(F)c1 ZINC000445799281 869829082 /nfs/dbraw/zinc/82/90/82/869829082.db2.gz VJSVEWVFNFBCEX-QGZVFWFLSA-N 1 1 403.860 4.274 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448196690 872082736 /nfs/dbraw/zinc/08/27/36/872082736.db2.gz AIKDTYVKYLNSRX-YKSBVNFPSA-N 1 1 401.510 4.439 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448285562 872212420 /nfs/dbraw/zinc/21/24/20/872212420.db2.gz MKQFSBCFSXOZHG-KXBFYZLASA-N 1 1 408.464 4.359 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460367214 873000336 /nfs/dbraw/zinc/00/03/36/873000336.db2.gz ASWOFQJXTGOCHQ-BLKABHOGSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460373814 873010535 /nfs/dbraw/zinc/01/05/35/873010535.db2.gz UNUKOFZXXXTYNF-XXTHSBEZSA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460373611 873010628 /nfs/dbraw/zinc/01/06/28/873010628.db2.gz DZWKDHATEFGFGD-GCJKJVERSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460375887 873012922 /nfs/dbraw/zinc/01/29/22/873012922.db2.gz MWYSVWONSKKIRB-UHFFFAOYSA-N 1 1 406.534 4.339 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460381046 873021333 /nfs/dbraw/zinc/02/13/33/873021333.db2.gz AWVVUFPPVRDSGR-UHFFFAOYSA-N 1 1 422.964 4.282 20 30 HIEDMO Cc1ccc(-c2nnc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2CC(C)C)o1 ZINC000460751145 873588390 /nfs/dbraw/zinc/58/83/90/873588390.db2.gz ZCVRAZPSVVRVGU-UHFFFAOYSA-N 1 1 418.545 4.087 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460769261 873615950 /nfs/dbraw/zinc/61/59/50/873615950.db2.gz HNZNZPUHSARGNT-MXNKGDRCSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460777604 873630193 /nfs/dbraw/zinc/63/01/93/873630193.db2.gz HXAGDHNAADQVBE-UHFFFAOYSA-N 1 1 417.557 4.242 20 30 HIEDMO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460816655 873697815 /nfs/dbraw/zinc/69/78/15/873697815.db2.gz RVSKZONSEIHNNG-FQEVSTJZSA-N 1 1 415.626 4.057 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460951348 873849526 /nfs/dbraw/zinc/84/95/26/873849526.db2.gz WCDJWIJWTBIBFZ-FQEVSTJZSA-N 1 1 402.546 4.017 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468639517 882773338 /nfs/dbraw/zinc/77/33/38/882773338.db2.gz SLUJKSOEXYDWLH-AZGAKELHSA-N 1 1 417.553 4.386 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000462768492 875829104 /nfs/dbraw/zinc/82/91/04/875829104.db2.gz YPRQWTAXVYBONP-UHFFFAOYSA-N 1 1 404.470 4.167 20 30 HIEDMO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189243 876247572 /nfs/dbraw/zinc/24/75/72/876247572.db2.gz KORFPUSSDCKOBH-INIZCTEOSA-N 1 1 405.477 4.063 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463201304 876261287 /nfs/dbraw/zinc/26/12/87/876261287.db2.gz DMVJLHNUQFDQIP-UKAVVXHISA-N 1 1 415.603 4.282 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1OCCCO ZINC000463378522 876434976 /nfs/dbraw/zinc/43/49/76/876434976.db2.gz ZFFJBLZNCOPNOC-CYBMUJFWSA-N 1 1 407.283 4.072 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463585483 876687953 /nfs/dbraw/zinc/68/79/53/876687953.db2.gz HAORCXCPEYVVKZ-UHFFFAOYSA-N 1 1 420.553 4.388 20 30 HIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000503281482 912262223 /nfs/dbraw/zinc/26/22/23/912262223.db2.gz FLRYNCKDVIPROS-FQEVSTJZSA-N 1 1 406.530 4.185 20 30 HIEDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000464771214 878014292 /nfs/dbraw/zinc/01/42/92/878014292.db2.gz CIHDTTRZSQPQIH-QFIPXVFZSA-N 1 1 402.498 4.140 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@](C)(CC)c2nc(C)cs2)cc1 ZINC000464804669 878048748 /nfs/dbraw/zinc/04/87/48/878048748.db2.gz HIXOPFOUBWIDNZ-OAQYLSRUSA-N 1 1 400.548 4.012 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)CO1 ZINC000464836220 878098856 /nfs/dbraw/zinc/09/88/56/878098856.db2.gz VZLIWCOBUIBHFH-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)CO1 ZINC000464836220 878098877 /nfs/dbraw/zinc/09/88/77/878098877.db2.gz VZLIWCOBUIBHFH-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)CO1 ZINC000464836223 878099459 /nfs/dbraw/zinc/09/94/59/878099459.db2.gz VZLIWCOBUIBHFH-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)CO1 ZINC000464836223 878099479 /nfs/dbraw/zinc/09/94/79/878099479.db2.gz VZLIWCOBUIBHFH-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841078 878109557 /nfs/dbraw/zinc/10/95/57/878109557.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 1 1 411.615 4.105 20 30 HIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000503369421 912348119 /nfs/dbraw/zinc/34/81/19/912348119.db2.gz GXCGQQDDXVEEFH-SFHVURJKSA-N 1 1 408.502 4.213 20 30 HIEDMO N#Cc1cccc(OCC[N@H+](Cc2cccc(Br)c2)C2CCOCC2)c1 ZINC000467298260 881044107 /nfs/dbraw/zinc/04/41/07/881044107.db2.gz CGOINYPEGLTNLN-UHFFFAOYSA-N 1 1 415.331 4.381 20 30 HIEDMO C=CCC[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC000467298981 881046445 /nfs/dbraw/zinc/04/64/45/881046445.db2.gz XUJJHLWPHPGINU-UHFFFAOYSA-N 1 1 410.543 4.170 20 30 HIEDMO C=CCC[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC000467298981 881046463 /nfs/dbraw/zinc/04/64/63/881046463.db2.gz XUJJHLWPHPGINU-UHFFFAOYSA-N 1 1 410.543 4.170 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208883 883309263 /nfs/dbraw/zinc/30/92/63/883309263.db2.gz CODWLMLHSVDLJH-DYESRHJHSA-N 1 1 406.511 4.088 20 30 HIEDMO CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470720763 885167105 /nfs/dbraw/zinc/16/71/05/885167105.db2.gz ZBMJYZHKGUOTLF-QHCPKHFHSA-N 1 1 422.598 4.097 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471017682 885519678 /nfs/dbraw/zinc/51/96/78/885519678.db2.gz IXFCLFAWPYMKGF-NRFANRHFSA-N 1 1 409.555 4.003 20 30 HIEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816455 /nfs/dbraw/zinc/81/64/55/885816455.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 1 1 407.558 4.308 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816458 /nfs/dbraw/zinc/81/64/58/885816458.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816467 /nfs/dbraw/zinc/81/64/67/885816467.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816471 /nfs/dbraw/zinc/81/64/71/885816471.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 1 1 407.558 4.308 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000472049986 886864481 /nfs/dbraw/zinc/86/44/81/886864481.db2.gz YZWSPYCXCGDZOF-JOCHJYFZSA-N 1 1 423.557 4.066 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000472049986 886864482 /nfs/dbraw/zinc/86/44/82/886864482.db2.gz YZWSPYCXCGDZOF-JOCHJYFZSA-N 1 1 423.557 4.066 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000472228502 887033844 /nfs/dbraw/zinc/03/38/44/887033844.db2.gz GPCPMUSMKLNZOE-HSZRJFAPSA-N 1 1 401.510 4.110 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 ZINC000472241170 887049390 /nfs/dbraw/zinc/04/93/90/887049390.db2.gz PYQSMIXISCYABW-HXUWFJFHSA-N 1 1 401.466 4.303 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 ZINC000472241170 887049407 /nfs/dbraw/zinc/04/94/07/887049407.db2.gz PYQSMIXISCYABW-HXUWFJFHSA-N 1 1 401.466 4.303 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538236 887413419 /nfs/dbraw/zinc/41/34/19/887413419.db2.gz YSPRFVWBSZGKLO-LADGPHEKSA-N 1 1 420.532 4.251 20 30 HIEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000473019229 887845828 /nfs/dbraw/zinc/84/58/28/887845828.db2.gz DCHKBTURHJDRAY-UHFFFAOYSA-N 1 1 418.324 4.485 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473176619 887955686 /nfs/dbraw/zinc/95/56/86/887955686.db2.gz LBJADRCJZDRMMG-CPJSRVTESA-N 1 1 403.526 4.070 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473176619 887955689 /nfs/dbraw/zinc/95/56/89/887955689.db2.gz LBJADRCJZDRMMG-CPJSRVTESA-N 1 1 403.526 4.070 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161203 888999166 /nfs/dbraw/zinc/99/91/66/888999166.db2.gz XCNRMJSIKOAWSS-FCHUYYIVSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161203 888999177 /nfs/dbraw/zinc/99/91/77/888999177.db2.gz XCNRMJSIKOAWSS-FCHUYYIVSA-N 1 1 409.480 4.208 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C(C)(C)C)cc1 ZINC000474173377 889011233 /nfs/dbraw/zinc/01/12/33/889011233.db2.gz UGPIQEPAYVHLJO-UHFFFAOYSA-N 1 1 409.530 4.449 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474223306 889061578 /nfs/dbraw/zinc/06/15/78/889061578.db2.gz OOFICQWRLYOKMK-CTNGQTDRSA-N 1 1 422.598 4.226 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000474276683 889142356 /nfs/dbraw/zinc/14/23/56/889142356.db2.gz KYBAOWWEZOREEM-UHFFFAOYSA-N 1 1 410.562 4.252 20 30 HIEDMO CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474627310 889489708 /nfs/dbraw/zinc/48/97/08/889489708.db2.gz DIQRPQNVXWFSIC-RUZDIDTESA-N 1 1 410.521 4.220 20 30 HIEDMO N#CC[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065217 890994737 /nfs/dbraw/zinc/99/47/37/890994737.db2.gz VQMQDNNPEYMEEL-PZJWPPBQSA-N 1 1 415.459 4.483 20 30 HIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000476298626 891212553 /nfs/dbraw/zinc/21/25/53/891212553.db2.gz WGDKTMZMALZIOV-FQEVSTJZSA-N 1 1 411.933 4.302 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476611867 891545011 /nfs/dbraw/zinc/54/50/11/891545011.db2.gz PARJMDLLFHTZLQ-RBUKOAKNSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476611867 891545033 /nfs/dbraw/zinc/54/50/33/891545033.db2.gz PARJMDLLFHTZLQ-RBUKOAKNSA-N 1 1 400.885 4.090 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000476674336 891623952 /nfs/dbraw/zinc/62/39/52/891623952.db2.gz ZZHAQDJCYIXRAH-MRXNPFEDSA-N 1 1 424.508 4.252 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000476759278 891730602 /nfs/dbraw/zinc/73/06/02/891730602.db2.gz VTORTVSQUAVOBE-UHFFFAOYSA-N 1 1 400.482 4.120 20 30 HIEDMO COCc1cccc(OCC2(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000477358475 892324281 /nfs/dbraw/zinc/32/42/81/892324281.db2.gz UVRLVWZSFOBATJ-UHFFFAOYSA-N 1 1 419.569 4.072 20 30 HIEDMO C=C(C)[C@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721990 892826503 /nfs/dbraw/zinc/82/65/03/892826503.db2.gz KBKQSAZGYKLAJI-JKSBSHDWSA-N 1 1 421.532 4.113 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000477992685 893092719 /nfs/dbraw/zinc/09/27/19/893092719.db2.gz MYXVMGYIXJBCSN-LSTHTHJFSA-N 1 1 401.576 4.156 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C12CCC2 ZINC000477992685 893092740 /nfs/dbraw/zinc/09/27/40/893092740.db2.gz MYXVMGYIXJBCSN-LSTHTHJFSA-N 1 1 401.576 4.156 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478055529 893209793 /nfs/dbraw/zinc/20/97/93/893209793.db2.gz RPJQAXHLHPBCFI-FGZHOGPDSA-N 1 1 410.606 4.298 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478055529 893209820 /nfs/dbraw/zinc/20/98/20/893209820.db2.gz RPJQAXHLHPBCFI-FGZHOGPDSA-N 1 1 410.606 4.298 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000478838747 894117321 /nfs/dbraw/zinc/11/73/21/894117321.db2.gz SXQIFHDDVIFSRO-IBGZPJMESA-N 1 1 402.542 4.279 20 30 HIEDMO Cn1c(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc21 ZINC000479130604 894400123 /nfs/dbraw/zinc/40/01/23/894400123.db2.gz MMYBIFRBQHERAI-UHFFFAOYSA-N 1 1 421.570 4.236 20 30 HIEDMO Cn1c(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc21 ZINC000479130604 894400141 /nfs/dbraw/zinc/40/01/41/894400141.db2.gz MMYBIFRBQHERAI-UHFFFAOYSA-N 1 1 421.570 4.236 20 30 HIEDMO N#CC1(NC(=O)c2csc(-c3ccc(F)cc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306150 894591477 /nfs/dbraw/zinc/59/14/77/894591477.db2.gz BETZTULEXUHBFD-UHFFFAOYSA-N 1 1 420.513 4.237 20 30 HIEDMO N#Cc1c(C#N)c2c(nc1NCCc1[nH+]ccn1Cc1ccccc1)CCCCCC2 ZINC000479941767 895294269 /nfs/dbraw/zinc/29/42/69/895294269.db2.gz RTERTGNVDPMTDO-UHFFFAOYSA-N 1 1 410.525 4.383 20 30 HIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097627 895462015 /nfs/dbraw/zinc/46/20/15/895462015.db2.gz MSONOMVVYFVCPA-GOTSBHOMSA-N 1 1 413.525 4.341 20 30 HIEDMO C=C(C)[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000480282231 895686662 /nfs/dbraw/zinc/68/66/62/895686662.db2.gz YEKYGIQCTCWMCU-QFIPXVFZSA-N 1 1 415.484 4.278 20 30 HIEDMO COc1cccc(C([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2cccc(OC)c2)c1 ZINC000480345804 895752293 /nfs/dbraw/zinc/75/22/93/895752293.db2.gz WKRGJAQTAWZRED-UHFFFAOYSA-N 1 1 415.493 4.088 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480562630 895923646 /nfs/dbraw/zinc/92/36/46/895923646.db2.gz XSPSMVFSDDYIAG-OAHLLOKOSA-N 1 1 401.860 4.225 20 30 HIEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480562630 895923657 /nfs/dbraw/zinc/92/36/57/895923657.db2.gz XSPSMVFSDDYIAG-OAHLLOKOSA-N 1 1 401.860 4.225 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000480686872 896049624 /nfs/dbraw/zinc/04/96/24/896049624.db2.gz VULQXFGESYCOFU-OAQYLSRUSA-N 1 1 416.541 4.326 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC000481149878 896480160 /nfs/dbraw/zinc/48/01/60/896480160.db2.gz ZITYKCCRHHKBPY-UHFFFAOYSA-N 1 1 412.331 4.057 20 30 HIEDMO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC000481221384 896572848 /nfs/dbraw/zinc/57/28/48/896572848.db2.gz BDKGSBKUXSDYKO-AWEZNQCLSA-N 1 1 419.319 4.205 20 30 HIEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000481422471 896825220 /nfs/dbraw/zinc/82/52/20/896825220.db2.gz HZDYVNXXYRPSFV-NRFANRHFSA-N 1 1 415.522 4.214 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccccc1COC(C)C)c1ccc(F)c(F)c1 ZINC000481600838 896981811 /nfs/dbraw/zinc/98/18/11/896981811.db2.gz RYKGPOBSMRCJDH-QHCPKHFHSA-N 1 1 402.485 4.413 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)c(F)c1 ZINC000481615995 896997687 /nfs/dbraw/zinc/99/76/87/896997687.db2.gz OKQVLPXBZXDRRQ-FQEVSTJZSA-N 1 1 417.847 4.044 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481617690 896999573 /nfs/dbraw/zinc/99/95/73/896999573.db2.gz WHFLHRDIIJDOLI-CWTRNNRKSA-N 1 1 405.401 4.116 20 30 HIEDMO CC[C@H](C[N@@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000481745343 897138833 /nfs/dbraw/zinc/13/88/33/897138833.db2.gz CUNCIVOACXWYBX-LJQANCHMSA-N 1 1 401.514 4.198 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 ZINC000481909585 897292289 /nfs/dbraw/zinc/29/22/89/897292289.db2.gz ZQKBLHSKMYHVLU-UHFFFAOYSA-N 1 1 414.534 4.375 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 ZINC000481937054 897323242 /nfs/dbraw/zinc/32/32/42/897323242.db2.gz WGWWCURUGLEQBS-UHFFFAOYSA-N 1 1 412.493 4.325 20 30 HIEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)C1 ZINC000505523186 914214857 /nfs/dbraw/zinc/21/48/57/914214857.db2.gz ZDKYKGHDLIUKKU-XMMPIXPASA-N 1 1 405.567 4.408 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000482989962 898631773 /nfs/dbraw/zinc/63/17/73/898631773.db2.gz VQQKPBDAFODKMQ-YKSBVNFPSA-N 1 1 418.541 4.280 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCc2ccccn2)cc1 ZINC000483065595 898745550 /nfs/dbraw/zinc/74/55/50/898745550.db2.gz BECNBCCRBJPMFI-UHFFFAOYSA-N 1 1 414.509 4.035 20 30 HIEDMO CC1(c2cccc(Cl)c2)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000483244130 898887061 /nfs/dbraw/zinc/88/70/61/898887061.db2.gz WLRKBORAVOBAEL-UHFFFAOYSA-N 1 1 402.947 4.039 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483343344 898973567 /nfs/dbraw/zinc/97/35/67/898973567.db2.gz ZDYSYQADCTVQOH-UNMCSNQZSA-N 1 1 404.514 4.085 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000483567851 899222723 /nfs/dbraw/zinc/22/27/23/899222723.db2.gz ZIJICUPEFHNBLS-IRLDBZIGSA-N 1 1 405.567 4.407 20 30 HIEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640846 899296346 /nfs/dbraw/zinc/29/63/46/899296346.db2.gz SJDDMKCKNHTPSF-QGZVFWFLSA-N 1 1 419.504 4.371 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484696270 900132340 /nfs/dbraw/zinc/13/23/40/900132340.db2.gz YCTAPAQREAKRPW-BGYRXZFFSA-N 1 1 403.615 4.308 20 30 HIEDMO C[N@H+](Cc1cc(Br)cs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485711449 900960137 /nfs/dbraw/zinc/96/01/37/900960137.db2.gz VMMJFKZIEYJPIY-KRWDZBQOSA-N 1 1 404.333 4.010 20 30 HIEDMO C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485711449 900960144 /nfs/dbraw/zinc/96/01/44/900960144.db2.gz VMMJFKZIEYJPIY-KRWDZBQOSA-N 1 1 404.333 4.010 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000505868580 914516513 /nfs/dbraw/zinc/51/65/13/914516513.db2.gz PBPOTDSQKOMAGI-HSZRJFAPSA-N 1 1 400.457 4.073 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000505868580 914516529 /nfs/dbraw/zinc/51/65/29/914516529.db2.gz PBPOTDSQKOMAGI-HSZRJFAPSA-N 1 1 400.457 4.073 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)C1CC1 ZINC000486299103 901479561 /nfs/dbraw/zinc/47/95/61/901479561.db2.gz NYPMMLHXDMQKAA-UHFFFAOYSA-N 1 1 405.498 4.003 20 30 HIEDMO CCCOc1ccc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000486624287 901759108 /nfs/dbraw/zinc/75/91/08/901759108.db2.gz NSSULALYWWFSNP-UHFFFAOYSA-N 1 1 411.933 4.349 20 30 HIEDMO CCCOc1ccc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000486624287 901759115 /nfs/dbraw/zinc/75/91/15/901759115.db2.gz NSSULALYWWFSNP-UHFFFAOYSA-N 1 1 411.933 4.349 20 30 HIEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782743 901851381 /nfs/dbraw/zinc/85/13/81/901851381.db2.gz YPLJSOUVXFHPJJ-SFHVURJKSA-N 1 1 412.603 4.360 20 30 HIEDMO Clc1ccc(C#CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486832923 901884420 /nfs/dbraw/zinc/88/44/20/901884420.db2.gz ILGZTNUXKJJZEX-AUSIDOKSSA-N 1 1 404.901 4.190 20 30 HIEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000486973150 901999072 /nfs/dbraw/zinc/99/90/72/901999072.db2.gz FBSFOHMJJIRSOP-WOIUINJBSA-N 1 1 419.525 4.064 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000487935045 902463379 /nfs/dbraw/zinc/46/33/79/902463379.db2.gz MANSBFXAKQMWLG-TZRRMPRUSA-N 1 1 418.541 4.317 20 30 HIEDMO Cc1cc(N2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)nc(C)[nH+]1 ZINC000488869126 903050200 /nfs/dbraw/zinc/05/02/00/903050200.db2.gz KPTSQQMPZQKMQP-UHFFFAOYSA-N 1 1 411.509 4.031 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC ZINC000506045607 914738941 /nfs/dbraw/zinc/73/89/41/914738941.db2.gz HQGXAHCGCBQTBQ-UHFFFAOYSA-N 1 1 404.514 4.421 20 30 HIEDMO N#Cc1c(F)cccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000489977351 903707672 /nfs/dbraw/zinc/70/76/72/903707672.db2.gz ABXFGSFSIJHDPY-UHFFFAOYSA-N 1 1 406.288 4.399 20 30 HIEDMO Cn1cc(C[N@H+](C)Cc2csc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000491168192 904466076 /nfs/dbraw/zinc/46/60/76/904466076.db2.gz QFHQHCPHXAILJZ-UHFFFAOYSA-N 1 1 401.333 4.415 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2csc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000491168192 904466084 /nfs/dbraw/zinc/46/60/84/904466084.db2.gz QFHQHCPHXAILJZ-UHFFFAOYSA-N 1 1 401.333 4.415 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2cc(Br)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000491194127 904475858 /nfs/dbraw/zinc/47/58/58/904475858.db2.gz JUHUVGNOENPIRY-UHFFFAOYSA-N 1 1 401.333 4.415 20 30 HIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000491411657 904584568 /nfs/dbraw/zinc/58/45/68/904584568.db2.gz ZKNVKZBHQRKXPQ-UHFFFAOYSA-N 1 1 409.511 4.263 20 30 HIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000491411657 904584580 /nfs/dbraw/zinc/58/45/80/904584580.db2.gz ZKNVKZBHQRKXPQ-UHFFFAOYSA-N 1 1 409.511 4.263 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c1C ZINC000492516421 904862991 /nfs/dbraw/zinc/86/29/91/904862991.db2.gz TUJYPLHEPITHRY-UHFFFAOYSA-N 1 1 423.582 4.176 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924340 905276963 /nfs/dbraw/zinc/27/69/63/905276963.db2.gz CLNQPXKALVIADU-AZUAARDMSA-N 1 1 406.530 4.378 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000493961265 905311698 /nfs/dbraw/zinc/31/16/98/905311698.db2.gz MUHRBBVVXUETOH-DEOSSOPVSA-N 1 1 411.505 4.142 20 30 HIEDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000512416997 921144786 /nfs/dbraw/zinc/14/47/86/921144786.db2.gz WOEPEJMKLCVHIH-UHFFFAOYSA-N 1 1 408.509 4.127 20 30 HIEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccc(Cl)cc1 ZINC000494222016 905552196 /nfs/dbraw/zinc/55/21/96/905552196.db2.gz BUGZAVOVMJMZCV-HKUYNNGSSA-N 1 1 418.722 4.036 20 30 HIEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccc(Cl)cc1 ZINC000494222019 905553167 /nfs/dbraw/zinc/55/31/67/905553167.db2.gz BUGZAVOVMJMZCV-PKOBYXMFSA-N 1 1 418.722 4.036 20 30 HIEDMO Cc1nc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)sc1SCC#N ZINC000494635035 905875504 /nfs/dbraw/zinc/87/55/04/905875504.db2.gz SSDBQVIPJDIUSM-DYESRHJHSA-N 1 1 412.584 4.308 20 30 HIEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487523 921195454 /nfs/dbraw/zinc/19/54/54/921195454.db2.gz VSARCFMFBYZGLK-IRXDYDNUSA-N 1 1 403.592 4.233 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791609 905992612 /nfs/dbraw/zinc/99/26/12/905992612.db2.gz FJLRODNIYZBLSF-DENIHFKCSA-N 1 1 424.589 4.011 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C4CCC4)cc3)CC2)cc1 ZINC000494802353 906003802 /nfs/dbraw/zinc/00/38/02/906003802.db2.gz YYORRCDXABMSCP-UHFFFAOYSA-N 1 1 402.542 4.243 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1OCC ZINC000512501866 921202856 /nfs/dbraw/zinc/20/28/56/921202856.db2.gz QOPIFMPYNGAOOH-KRWDZBQOSA-N 1 1 423.355 4.028 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274930 906647188 /nfs/dbraw/zinc/64/71/88/906647188.db2.gz ZXPOAPZMOIYTHB-QUCCMNQESA-N 1 1 412.331 4.042 20 30 HIEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000497403914 906882549 /nfs/dbraw/zinc/88/25/49/906882549.db2.gz NSENFXGYAIAVKW-LOSJGSFVSA-N 1 1 411.505 4.373 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000512664224 921280472 /nfs/dbraw/zinc/28/04/72/921280472.db2.gz YEEQDLJXCXKFPN-DLQXEOFGSA-N 1 1 417.553 4.133 20 30 HIEDMO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000497499543 906986790 /nfs/dbraw/zinc/98/67/90/906986790.db2.gz YNVKHQIEFVDKGA-VWLOTQADSA-N 1 1 401.485 4.377 20 30 HIEDMO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000497499543 906986797 /nfs/dbraw/zinc/98/67/97/906986797.db2.gz YNVKHQIEFVDKGA-VWLOTQADSA-N 1 1 401.485 4.377 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593971 907073872 /nfs/dbraw/zinc/07/38/72/907073872.db2.gz NIQQHYMUFGHKHT-HNNXBMFYSA-N 1 1 413.905 4.395 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593971 907073889 /nfs/dbraw/zinc/07/38/89/907073889.db2.gz NIQQHYMUFGHKHT-HNNXBMFYSA-N 1 1 413.905 4.395 20 30 HIEDMO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599409 907079448 /nfs/dbraw/zinc/07/94/48/907079448.db2.gz CCXFXQCJIZSBCO-AWEZNQCLSA-N 1 1 420.376 4.424 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497619992 907098214 /nfs/dbraw/zinc/09/82/14/907098214.db2.gz WUJOPJOWKIZZPJ-GOSISDBHSA-N 1 1 404.514 4.097 20 30 HIEDMO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512853277 921358468 /nfs/dbraw/zinc/35/84/68/921358468.db2.gz VSUWKJZGHSSWSX-CTNGQTDRSA-N 1 1 402.542 4.256 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703820 908127996 /nfs/dbraw/zinc/12/79/96/908127996.db2.gz LQXGVMNXGGJHHW-HYBUGGRVSA-N 1 1 402.542 4.166 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498708462 908134801 /nfs/dbraw/zinc/13/48/01/908134801.db2.gz UYRFIUDNBMGVBE-YKSBVNFPSA-N 1 1 404.558 4.389 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000499161928 908516752 /nfs/dbraw/zinc/51/67/52/908516752.db2.gz OTQGDCICQNIBOL-NEWJYFPISA-N 1 1 418.560 4.451 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499194575 908549060 /nfs/dbraw/zinc/54/90/60/908549060.db2.gz PLFUBALSEHLXJN-NFBKMPQASA-N 1 1 409.578 4.215 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000499582947 908847652 /nfs/dbraw/zinc/84/76/52/908847652.db2.gz SJUKBLHFUUUYKC-UHFFFAOYSA-N 1 1 421.383 4.043 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000499608320 908854962 /nfs/dbraw/zinc/85/49/62/908854962.db2.gz RARNYQJQKBFTPS-IRXDYDNUSA-N 1 1 408.502 4.306 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@H]1C ZINC000499608322 908854990 /nfs/dbraw/zinc/85/49/90/908854990.db2.gz RARNYQJQKBFTPS-SJORKVTESA-N 1 1 408.502 4.306 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499936622 909042245 /nfs/dbraw/zinc/04/22/45/909042245.db2.gz AZIAGYNHLRMIMH-DNVCBOLYSA-N 1 1 413.459 4.409 20 30 HIEDMO CCCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000501509209 910619933 /nfs/dbraw/zinc/61/99/33/910619933.db2.gz YAHKZPFSGMCJRO-UHFFFAOYSA-N 1 1 407.562 4.036 20 30 HIEDMO COC(=O)C[C@@](C)([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1 ZINC000513165340 921594921 /nfs/dbraw/zinc/59/49/21/921594921.db2.gz HXZOBRCQIVFHGD-LJQANCHMSA-N 1 1 405.267 4.028 20 30 HIEDMO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501949447 910936115 /nfs/dbraw/zinc/93/61/15/910936115.db2.gz RLTSVKVGMLJSAV-XXBNENTESA-N 1 1 407.583 4.475 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CC3CCOCC3)sc2C1 ZINC000502509278 911514149 /nfs/dbraw/zinc/51/41/49/911514149.db2.gz URZRROUNKMKQID-KRWDZBQOSA-N 1 1 417.619 4.458 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502967983 911950467 /nfs/dbraw/zinc/95/04/67/911950467.db2.gz FYYMTTHYEFMBEX-KRWDZBQOSA-N 1 1 403.486 4.238 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1OC ZINC000506354089 914973403 /nfs/dbraw/zinc/97/34/03/914973403.db2.gz VDUFGDKYGAZKEO-UHFFFAOYSA-N 1 1 422.319 4.369 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513365801 921740575 /nfs/dbraw/zinc/74/05/75/921740575.db2.gz HQPGYKWVQPEKHO-JPYJTQIMSA-N 1 1 405.517 4.240 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560559 915205285 /nfs/dbraw/zinc/20/52/85/915205285.db2.gz HGWPEKZGMBVDAW-VQTJNVASSA-N 1 1 416.997 4.173 20 30 HIEDMO C=CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256452 916018208 /nfs/dbraw/zinc/01/82/08/916018208.db2.gz CUWLNBMZENPHQT-DQEYMECFSA-N 1 1 418.581 4.391 20 30 HIEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000507708740 916496542 /nfs/dbraw/zinc/49/65/42/916496542.db2.gz JXZGTIQLRFCOQM-UHFFFAOYSA-N 1 1 403.935 4.403 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1 ZINC000507871031 916708845 /nfs/dbraw/zinc/70/88/45/916708845.db2.gz CFWHWIKGSOBJBJ-XMMPIXPASA-N 1 1 403.526 4.155 20 30 HIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000507986272 916829638 /nfs/dbraw/zinc/82/96/38/916829638.db2.gz RXWBIQPZMUPVRV-NRFANRHFSA-N 1 1 421.541 4.391 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000508083137 916900684 /nfs/dbraw/zinc/90/06/84/916900684.db2.gz AMFCYKWMZSEEOC-HXUWFJFHSA-N 1 1 408.550 4.028 20 30 HIEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508478575 917264109 /nfs/dbraw/zinc/26/41/09/917264109.db2.gz RZPFXOQQOUQOPD-OALUTQOASA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508480472 917264814 /nfs/dbraw/zinc/26/48/14/917264814.db2.gz HGLXBBLQWDITQH-QFIPXVFZSA-N 1 1 419.548 4.152 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000508493216 917278275 /nfs/dbraw/zinc/27/82/75/917278275.db2.gz XUEAXMJOWIMXLV-QGZVFWFLSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508502972 917288322 /nfs/dbraw/zinc/28/83/22/917288322.db2.gz DEXLICBEPZBQQX-OFNKIYASSA-N 1 1 421.589 4.113 20 30 HIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1=Cc2cc(Br)ccc2OC1 ZINC000508530281 917312478 /nfs/dbraw/zinc/31/24/78/917312478.db2.gz WDHHMAVINGEYJO-UHFFFAOYSA-N 1 1 413.315 4.245 20 30 HIEDMO 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ZINC000510396857 918872747 /nfs/dbraw/zinc/87/27/47/918872747.db2.gz MQOANLNHEIVANM-IEBWSBKVSA-N 1 1 419.554 4.316 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510396857 918872753 /nfs/dbraw/zinc/87/27/53/918872753.db2.gz MQOANLNHEIVANM-IEBWSBKVSA-N 1 1 419.554 4.316 20 30 HIEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(C)c1OC(F)F ZINC000510420326 918887202 /nfs/dbraw/zinc/88/72/02/918887202.db2.gz DHJVBJZBIPWYOO-UHFFFAOYSA-N 1 1 413.468 4.125 20 30 HIEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(C)c1OC(F)F ZINC000510420326 918887206 /nfs/dbraw/zinc/88/72/06/918887206.db2.gz DHJVBJZBIPWYOO-UHFFFAOYSA-N 1 1 413.468 4.125 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1Cl ZINC000510453737 918910236 /nfs/dbraw/zinc/91/02/36/918910236.db2.gz JVMUOIAPXOEROH-FQEVSTJZSA-N 1 1 421.932 4.192 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)c2)c1 ZINC000510519465 918964973 /nfs/dbraw/zinc/96/49/73/918964973.db2.gz IFTRSZGENRWGBA-RUZDIDTESA-N 1 1 411.505 4.200 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)c2)c1 ZINC000510519465 918964990 /nfs/dbraw/zinc/96/49/90/918964990.db2.gz IFTRSZGENRWGBA-RUZDIDTESA-N 1 1 411.505 4.200 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510521036 918966289 /nfs/dbraw/zinc/96/62/89/918966289.db2.gz BRXJBUGJLCCBQV-KDURUIRLSA-N 1 1 422.529 4.280 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1)C(C)C ZINC000510797384 919267464 /nfs/dbraw/zinc/26/74/64/919267464.db2.gz MEIQHFZMCBSEDO-UHFFFAOYSA-N 1 1 404.558 4.141 20 30 HIEDMO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511378915 919978946 /nfs/dbraw/zinc/97/89/46/919978946.db2.gz MZXFEFZZXCDMJZ-XLIONFOSSA-N 1 1 404.514 4.128 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000511400776 920013761 /nfs/dbraw/zinc/01/37/61/920013761.db2.gz WOZXYEDBUBPNEY-LJQANCHMSA-N 1 1 420.557 4.156 20 30 HIEDMO CC[N@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)[C@H](C)C1 ZINC000511608046 920256171 /nfs/dbraw/zinc/25/61/71/920256171.db2.gz ZKIYGDOIHTVLAT-SJORKVTESA-N 1 1 416.635 4.125 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1)C1CC1 ZINC000511722960 920390114 /nfs/dbraw/zinc/39/01/14/920390114.db2.gz XGBLTPLUBYMUEG-UHFFFAOYSA-N 1 1 403.461 4.120 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512352540 921097602 /nfs/dbraw/zinc/09/76/02/921097602.db2.gz NVIROEBEKBTPEL-AVRDEDQJSA-N 1 1 423.582 4.249 20 30 HIEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513668521 921992150 /nfs/dbraw/zinc/99/21/50/921992150.db2.gz ZTODBMSUAPOBCG-SFTDATJTSA-N 1 1 402.586 4.273 20 30 HIEDMO N#C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513979199 922300422 /nfs/dbraw/zinc/30/04/22/922300422.db2.gz ZHOCQYSOBDJSAZ-LVXARBLLSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513979199 922300435 /nfs/dbraw/zinc/30/04/35/922300435.db2.gz ZHOCQYSOBDJSAZ-LVXARBLLSA-N 1 1 409.489 4.111 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000515096126 922907722 /nfs/dbraw/zinc/90/77/22/922907722.db2.gz APBSFYPPIGXMKI-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000515096126 922907731 /nfs/dbraw/zinc/90/77/31/922907731.db2.gz APBSFYPPIGXMKI-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000515564500 923181376 /nfs/dbraw/zinc/18/13/76/923181376.db2.gz PMDBIJYLQCCQMV-WOJBJXKFSA-N 1 1 423.866 4.392 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000516296395 923650512 /nfs/dbraw/zinc/65/05/12/923650512.db2.gz LMZABMRNEUYZRZ-UHFFFAOYSA-N 1 1 408.502 4.369 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000516296395 923650519 /nfs/dbraw/zinc/65/05/19/923650519.db2.gz LMZABMRNEUYZRZ-UHFFFAOYSA-N 1 1 408.502 4.369 20 30 HIEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000516317930 923660011 /nfs/dbraw/zinc/66/00/11/923660011.db2.gz DDLRRELIDHJFCL-QHCPKHFHSA-N 1 1 403.526 4.102 20 30 HIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000517605856 926714961 /nfs/dbraw/zinc/71/49/61/926714961.db2.gz DKGJMAPZLCTZOM-HXUWFJFHSA-N 1 1 409.555 4.455 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654598 926761715 /nfs/dbraw/zinc/76/17/15/926761715.db2.gz ZJVBZDRUTAXGSZ-PGRDOPGGSA-N 1 1 412.493 4.311 20 30 HIEDMO CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000518391070 927237190 /nfs/dbraw/zinc/23/71/90/927237190.db2.gz WESPUMQJIIOWKT-JOCHJYFZSA-N 1 1 421.541 4.022 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc(OC)c1OC ZINC000518652157 927406656 /nfs/dbraw/zinc/40/66/56/927406656.db2.gz ALQVLRPQHCTTDS-UHFFFAOYSA-N 1 1 420.553 4.095 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000518803302 927502237 /nfs/dbraw/zinc/50/22/37/927502237.db2.gz SLLKMZDSIHZHSU-QGZVFWFLSA-N 1 1 407.461 4.355 20 30 HIEDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)c1 ZINC000518941430 927645891 /nfs/dbraw/zinc/64/58/91/927645891.db2.gz XIZOYUAAJAOXDE-HXUWFJFHSA-N 1 1 421.541 4.021 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000519201274 927824336 /nfs/dbraw/zinc/82/43/36/927824336.db2.gz FOHBNYXJSJQETB-FQEVSTJZSA-N 1 1 411.468 4.384 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000519201274 927824340 /nfs/dbraw/zinc/82/43/40/927824340.db2.gz FOHBNYXJSJQETB-FQEVSTJZSA-N 1 1 411.468 4.384 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519705087 928052074 /nfs/dbraw/zinc/05/20/74/928052074.db2.gz KAMHLXIXOFMKJU-MBSDFSHPSA-N 1 1 421.541 4.322 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000520525545 928619187 /nfs/dbraw/zinc/61/91/87/928619187.db2.gz PKDWUUKJJOLABT-UHFFFAOYSA-N 1 1 416.610 4.488 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520952232 928887413 /nfs/dbraw/zinc/88/74/13/928887413.db2.gz GVCUTDBVDMYYRO-IBGZPJMESA-N 1 1 418.434 4.224 20 30 HIEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000521186874 929051168 /nfs/dbraw/zinc/05/11/68/929051168.db2.gz HCQOQROZIGLUBM-UHFFFAOYSA-N 1 1 416.909 4.094 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)CC2)cs1 ZINC000521870255 929519750 /nfs/dbraw/zinc/51/97/50/929519750.db2.gz VNVYAZYCNPQSSN-UHFFFAOYSA-N 1 1 410.587 4.220 20 30 HIEDMO C=CC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000524756071 929820246 /nfs/dbraw/zinc/82/02/46/929820246.db2.gz WKOCYHBECYFVAO-MRXNPFEDSA-N 1 1 417.435 4.353 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662911 930791305 /nfs/dbraw/zinc/79/13/05/930791305.db2.gz OADMEKQMFIWTMU-IRXDYDNUSA-N 1 1 402.608 4.022 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662911 930791312 /nfs/dbraw/zinc/79/13/12/930791312.db2.gz OADMEKQMFIWTMU-IRXDYDNUSA-N 1 1 402.608 4.022 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530868991 930843933 /nfs/dbraw/zinc/84/39/33/930843933.db2.gz KBYPRKXEXQYKPK-QGZVFWFLSA-N 1 1 424.936 4.120 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530868991 930843940 /nfs/dbraw/zinc/84/39/40/930843940.db2.gz KBYPRKXEXQYKPK-QGZVFWFLSA-N 1 1 424.936 4.120 20 30 HIEDMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532410236 931425486 /nfs/dbraw/zinc/42/54/86/931425486.db2.gz VLXILUAFOKTQEP-QGZVFWFLSA-N 1 1 411.933 4.274 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)cc1 ZINC000532437497 931433924 /nfs/dbraw/zinc/43/39/24/931433924.db2.gz KQJMULJHZCLAKZ-GOTSBHOMSA-N 1 1 420.513 4.115 20 30 HIEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000532928899 931697928 /nfs/dbraw/zinc/69/79/28/931697928.db2.gz BTLMHTVEYDAWOV-UHFFFAOYSA-N 1 1 400.320 4.478 20 30 HIEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000532928899 931697936 /nfs/dbraw/zinc/69/79/36/931697936.db2.gz BTLMHTVEYDAWOV-UHFFFAOYSA-N 1 1 400.320 4.478 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000533284802 931827611 /nfs/dbraw/zinc/82/76/11/931827611.db2.gz YODIXKKRNQRSBU-UHFFFAOYSA-N 1 1 417.340 4.406 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC3(C1)CCCCC3)CCCC2 ZINC000533433034 931867161 /nfs/dbraw/zinc/86/71/61/931867161.db2.gz HDBGSCBPVKGJFC-LJQANCHMSA-N 1 1 424.589 4.012 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1C#N ZINC000533434994 931867863 /nfs/dbraw/zinc/86/78/63/931867863.db2.gz GPKQRYXAVXSQQH-UTKZUKDTSA-N 1 1 416.525 4.434 20 30 HIEDMO Cc1[nH+]c(N2CCOCC2)ccc1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000533452651 931873941 /nfs/dbraw/zinc/87/39/41/931873941.db2.gz OKTQKMZCGXVTTR-UHFFFAOYSA-N 1 1 414.509 4.289 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491121 931883732 /nfs/dbraw/zinc/88/37/32/931883732.db2.gz KYWDIFINFPMXRU-WMZOPIPTSA-N 1 1 412.555 4.466 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491121 931883733 /nfs/dbraw/zinc/88/37/33/931883733.db2.gz KYWDIFINFPMXRU-WMZOPIPTSA-N 1 1 412.555 4.466 20 30 HIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1nccs1 ZINC000533598462 931914243 /nfs/dbraw/zinc/91/42/43/931914243.db2.gz VXPWRTRDFQABLG-UHFFFAOYSA-N 1 1 402.589 4.237 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c1C#N ZINC000534106733 932282015 /nfs/dbraw/zinc/28/20/15/932282015.db2.gz LEVOHORHGHJHLC-UHFFFAOYSA-N 1 1 407.562 4.228 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c1C#N ZINC000534106733 932282028 /nfs/dbraw/zinc/28/20/28/932282028.db2.gz LEVOHORHGHJHLC-UHFFFAOYSA-N 1 1 407.562 4.228 20 30 HIEDMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000534217797 932338429 /nfs/dbraw/zinc/33/84/29/932338429.db2.gz HRHDICIHNNJKCJ-HNNXBMFYSA-N 1 1 421.467 4.374 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000534219193 932338659 /nfs/dbraw/zinc/33/86/59/932338659.db2.gz RKWUXOILRGAQTC-QHCPKHFHSA-N 1 1 415.541 4.442 20 30 HIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000534219193 932338666 /nfs/dbraw/zinc/33/86/66/932338666.db2.gz RKWUXOILRGAQTC-QHCPKHFHSA-N 1 1 415.541 4.442 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534229358 932349303 /nfs/dbraw/zinc/34/93/03/932349303.db2.gz QCPGPASFJVEIFT-HNNXBMFYSA-N 1 1 403.885 4.255 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534229358 932349314 /nfs/dbraw/zinc/34/93/14/932349314.db2.gz QCPGPASFJVEIFT-HNNXBMFYSA-N 1 1 403.885 4.255 20 30 HIEDMO N#CCc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000534622676 932604612 /nfs/dbraw/zinc/60/46/12/932604612.db2.gz AWDNGRGOLDJGMX-UHFFFAOYSA-N 1 1 401.432 4.166 20 30 HIEDMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534835101 932801122 /nfs/dbraw/zinc/80/11/22/932801122.db2.gz JKYWSPAPOFVFKA-NSHDSACASA-N 1 1 419.316 4.451 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859063 932809767 /nfs/dbraw/zinc/80/97/67/932809767.db2.gz PWVBMGMUYIKCTO-WIYYLYMNSA-N 1 1 400.906 4.089 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859063 932809769 /nfs/dbraw/zinc/80/97/69/932809769.db2.gz PWVBMGMUYIKCTO-WIYYLYMNSA-N 1 1 400.906 4.089 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537288548 933700085 /nfs/dbraw/zinc/70/00/85/933700085.db2.gz GZWYCSAWDAVRQO-OSPHWJPCSA-N 1 1 420.534 4.411 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000562533661 945097933 /nfs/dbraw/zinc/09/79/33/945097933.db2.gz RZTNGBYDLHXXFQ-QGZVFWFLSA-N 1 1 401.576 4.015 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000562755186 945116220 /nfs/dbraw/zinc/11/62/20/945116220.db2.gz AOJDIKMAXQXCNL-GOSISDBHSA-N 1 1 408.575 4.169 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OCC ZINC000537687195 938354364 /nfs/dbraw/zinc/35/43/64/938354364.db2.gz DEUXFAJXNJUVDQ-AEFFLSMTSA-N 1 1 410.352 4.414 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1C ZINC000538782858 938709635 /nfs/dbraw/zinc/70/96/35/938709635.db2.gz JRMRXMIPMMVIGU-NRFANRHFSA-N 1 1 415.541 4.064 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)c1 ZINC000539763011 938928419 /nfs/dbraw/zinc/92/84/19/938928419.db2.gz FJRKDZBZJMONEB-LJQANCHMSA-N 1 1 417.517 4.154 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)c1 ZINC000539763011 938928425 /nfs/dbraw/zinc/92/84/25/938928425.db2.gz FJRKDZBZJMONEB-LJQANCHMSA-N 1 1 417.517 4.154 20 30 HIEDMO Cc1ccc(C(=O)C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c(C)c1 ZINC000539802712 938937569 /nfs/dbraw/zinc/93/75/69/938937569.db2.gz KGIXLZPWVJGQCI-DEOSSOPVSA-N 1 1 415.537 4.265 20 30 HIEDMO C=CCc1cc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc(OC)c1O ZINC000539817140 938941088 /nfs/dbraw/zinc/94/10/88/938941088.db2.gz KJURCIKPPRZWHT-UHFFFAOYSA-N 1 1 407.413 4.091 20 30 HIEDMO C=CCc1cc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc(OC)c1O ZINC000539817140 938941094 /nfs/dbraw/zinc/94/10/94/938941094.db2.gz KJURCIKPPRZWHT-UHFFFAOYSA-N 1 1 407.413 4.091 20 30 HIEDMO N#Cc1ccc(CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000539852087 938958272 /nfs/dbraw/zinc/95/82/72/938958272.db2.gz CQJSHOJXTNHTQF-UHFFFAOYSA-N 1 1 401.510 4.075 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000540309942 939189652 /nfs/dbraw/zinc/18/96/52/939189652.db2.gz YPTVWDVRNBQXFH-DHLKQENFSA-N 1 1 414.553 4.384 20 30 HIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540367154 939212216 /nfs/dbraw/zinc/21/22/16/939212216.db2.gz CQGKYKGNLVUPMD-OAHLLOKOSA-N 1 1 424.476 4.055 20 30 HIEDMO CC(C)(O)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000540525345 939288161 /nfs/dbraw/zinc/28/81/61/939288161.db2.gz UPIJEURISRLDII-UHFFFAOYSA-N 1 1 411.571 4.100 20 30 HIEDMO CC(C)(O)C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000540525345 939288162 /nfs/dbraw/zinc/28/81/62/939288162.db2.gz UPIJEURISRLDII-UHFFFAOYSA-N 1 1 411.571 4.100 20 30 HIEDMO Cc1ccc(-c2cc(NC(=O)C[NH+]3CCC(CC#N)CC3)n(-c3ccccc3)n2)cc1 ZINC000541022867 939433174 /nfs/dbraw/zinc/43/31/74/939433174.db2.gz NNEZZTPQMBGROH-UHFFFAOYSA-N 1 1 413.525 4.412 20 30 HIEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131992 939472001 /nfs/dbraw/zinc/47/20/01/939472001.db2.gz DBCOCCUUIIRYRA-UUOWRZLLSA-N 1 1 403.526 4.046 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC000541320586 939490806 /nfs/dbraw/zinc/49/08/06/939490806.db2.gz ZNBIYADCRPJBIC-NTKDMRAZSA-N 1 1 421.541 4.424 20 30 HIEDMO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691573 939605449 /nfs/dbraw/zinc/60/54/49/939605449.db2.gz STVWXQSEQLKWCP-ZDUSSCGKSA-N 1 1 413.275 4.100 20 30 HIEDMO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)n2)c(F)c1 ZINC000542033738 939693695 /nfs/dbraw/zinc/69/36/95/939693695.db2.gz WRCXBYBJQBOFPN-UHFFFAOYSA-N 1 1 424.524 4.003 20 30 HIEDMO COCCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000542190553 939750593 /nfs/dbraw/zinc/75/05/93/939750593.db2.gz SZCJEFPCSACKAV-UHFFFAOYSA-N 1 1 413.521 4.483 20 30 HIEDMO C[NH+](C)[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000542459910 939826314 /nfs/dbraw/zinc/82/63/14/939826314.db2.gz QFGHWGKCQGOAMV-SJORKVTESA-N 1 1 411.811 4.222 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529689 939837857 /nfs/dbraw/zinc/83/78/57/939837857.db2.gz PCDCPUCGJSYAHB-RBUKOAKNSA-N 1 1 416.997 4.138 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629179 939850349 /nfs/dbraw/zinc/85/03/49/939850349.db2.gz XLUQASXVWOFGIL-HKUYNNGSSA-N 1 1 401.507 4.166 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000543171895 939984816 /nfs/dbraw/zinc/98/48/16/939984816.db2.gz KHQNDHWBBNSEER-OAHLLOKOSA-N 1 1 417.431 4.299 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000543171895 939984823 /nfs/dbraw/zinc/98/48/23/939984823.db2.gz KHQNDHWBBNSEER-OAHLLOKOSA-N 1 1 417.431 4.299 20 30 HIEDMO CC(C)([C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543449813 940066712 /nfs/dbraw/zinc/06/67/12/940066712.db2.gz RTPRCFLEMJXBGO-IBGZPJMESA-N 1 1 418.513 4.042 20 30 HIEDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC(F)F ZINC000543702119 940165269 /nfs/dbraw/zinc/16/52/69/940165269.db2.gz LXOPJZKNWZUZSZ-UHFFFAOYSA-N 1 1 412.440 4.201 20 30 HIEDMO C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000543743774 940173917 /nfs/dbraw/zinc/17/39/17/940173917.db2.gz KJMBUFZWZINFBO-UHFFFAOYSA-N 1 1 413.635 4.158 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125635 940332705 /nfs/dbraw/zinc/33/27/05/940332705.db2.gz NIVLEVWTTRNYFU-RZPHLTDDSA-N 1 1 405.542 4.234 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000544130852 940334146 /nfs/dbraw/zinc/33/41/46/940334146.db2.gz VYQWYXHASRRYIU-GPXOXTDOSA-N 1 1 405.542 4.280 20 30 HIEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544467041 940444230 /nfs/dbraw/zinc/44/42/30/940444230.db2.gz PRYYRLMQFJDLLU-AWEZNQCLSA-N 1 1 420.376 4.424 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ccncc2)cc1OCC ZINC000544599459 940487905 /nfs/dbraw/zinc/48/79/05/940487905.db2.gz SSHHIVXWKWIHIE-UHFFFAOYSA-N 1 1 405.336 4.482 20 30 HIEDMO C[N@H+]1CCCN(c2ccc(-c3noc(CCc4ccc(C#N)cc4)n3)cc2Cl)CC1 ZINC000545775587 940584995 /nfs/dbraw/zinc/58/49/95/940584995.db2.gz OBTQLVHPOKZJTM-UHFFFAOYSA-N 1 1 421.932 4.189 20 30 HIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000545873048 940646566 /nfs/dbraw/zinc/64/65/66/940646566.db2.gz USBPOSMHRZNBRY-HNNXBMFYSA-N 1 1 419.884 4.287 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999966 940672626 /nfs/dbraw/zinc/67/26/26/940672626.db2.gz YZYKDXFYSWBRSU-VGOFRKELSA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999966 940672631 /nfs/dbraw/zinc/67/26/31/940672631.db2.gz YZYKDXFYSWBRSU-VGOFRKELSA-N 1 1 421.545 4.035 20 30 HIEDMO CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546227248 940735485 /nfs/dbraw/zinc/73/54/85/940735485.db2.gz PBIGHQPHMQMSKH-JOCHJYFZSA-N 1 1 414.553 4.334 20 30 HIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000546967028 940930849 /nfs/dbraw/zinc/93/08/49/940930849.db2.gz LODADUYASPHXLG-UHFFFAOYSA-N 1 1 424.508 4.030 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NCc3ccc(F)cc3Br)CC2)cc1 ZINC000548308468 941095181 /nfs/dbraw/zinc/09/51/81/941095181.db2.gz YEIWDQSVFKGKSB-UHFFFAOYSA-N 1 1 402.311 4.214 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931913 941130605 /nfs/dbraw/zinc/13/06/05/941130605.db2.gz HUIUVPHDEMMWQI-NRFANRHFSA-N 1 1 410.949 4.040 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000549095924 941157600 /nfs/dbraw/zinc/15/76/00/941157600.db2.gz UQUXGOMNRHRIHM-QGZVFWFLSA-N 1 1 420.948 4.373 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000549185722 941169353 /nfs/dbraw/zinc/16/93/53/941169353.db2.gz BWFZNOWJBZFECH-INIZCTEOSA-N 1 1 418.497 4.426 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000549185722 941169355 /nfs/dbraw/zinc/16/93/55/941169355.db2.gz BWFZNOWJBZFECH-INIZCTEOSA-N 1 1 418.497 4.426 20 30 HIEDMO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C#N ZINC000549330255 941180554 /nfs/dbraw/zinc/18/05/54/941180554.db2.gz VWBIOVNMELZSNC-HUDNXNEVSA-N 1 1 408.933 4.259 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549698097 941204937 /nfs/dbraw/zinc/20/49/37/941204937.db2.gz ASGPPERSLBTEEN-RTBURBONSA-N 1 1 415.557 4.301 20 30 HIEDMO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263485 941438720 /nfs/dbraw/zinc/43/87/20/941438720.db2.gz RMMKJOHSXXCUKW-DENIHFKCSA-N 1 1 407.533 4.277 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cscc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288910 941443871 /nfs/dbraw/zinc/44/38/71/941443871.db2.gz BWWOJHJYCGTZPB-KDOFPFPSSA-N 1 1 407.461 4.451 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000551404991 941471113 /nfs/dbraw/zinc/47/11/13/941471113.db2.gz MVAHJPUOKCNTTI-DYESRHJHSA-N 1 1 419.550 4.101 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000551404991 941471115 /nfs/dbraw/zinc/47/11/15/941471115.db2.gz MVAHJPUOKCNTTI-DYESRHJHSA-N 1 1 419.550 4.101 20 30 HIEDMO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000551714475 941531668 /nfs/dbraw/zinc/53/16/68/941531668.db2.gz XLEKUVCDKIUXSO-LBPRGKRZSA-N 1 1 422.291 4.319 20 30 HIEDMO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000551714475 941531673 /nfs/dbraw/zinc/53/16/73/941531673.db2.gz XLEKUVCDKIUXSO-LBPRGKRZSA-N 1 1 422.291 4.319 20 30 HIEDMO N#Cc1ccsc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000552850252 941787373 /nfs/dbraw/zinc/78/73/73/941787373.db2.gz VFWWHZVRXSOYEM-QFIPXVFZSA-N 1 1 416.550 4.322 20 30 HIEDMO CC(C)(C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc(C#N)c1 ZINC000552873537 941795502 /nfs/dbraw/zinc/79/55/02/941795502.db2.gz YYGUZRPMGWGCLV-OAQYLSRUSA-N 1 1 405.473 4.215 20 30 HIEDMO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(OCc2cccnc2)c1 ZINC000554559187 942168064 /nfs/dbraw/zinc/16/80/64/942168064.db2.gz VIOKDJYBWZYKIZ-UHFFFAOYSA-N 1 1 414.509 4.122 20 30 HIEDMO CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000556338097 942844726 /nfs/dbraw/zinc/84/47/26/942844726.db2.gz UXDYUVRGJVKJQH-SFHVURJKSA-N 1 1 414.912 4.129 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556976253 942985864 /nfs/dbraw/zinc/98/58/64/942985864.db2.gz JTNVDWZUHMNYQI-IRLDBZIGSA-N 1 1 417.887 4.373 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556976253 942985868 /nfs/dbraw/zinc/98/58/68/942985868.db2.gz JTNVDWZUHMNYQI-IRLDBZIGSA-N 1 1 417.887 4.373 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC000559033768 943811241 /nfs/dbraw/zinc/81/12/41/943811241.db2.gz CBLOWZVMBSMUQF-UHFFFAOYSA-N 1 1 418.419 4.193 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687401 944029201 /nfs/dbraw/zinc/02/92/01/944029201.db2.gz YJNAUIDEXDKJGX-LEWJYISDSA-N 1 1 417.538 4.172 20 30 HIEDMO C=CCCc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000560713185 944306522 /nfs/dbraw/zinc/30/65/22/944306522.db2.gz WXEFJYRIAAFNON-RPWUZVMVSA-N 1 1 414.553 4.393 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560997360 944391546 /nfs/dbraw/zinc/39/15/46/944391546.db2.gz BAEINOCRLAUOKV-JOCHJYFZSA-N 1 1 402.542 4.147 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000561115518 944463614 /nfs/dbraw/zinc/46/36/14/944463614.db2.gz ZWJKQCNUCDQAOW-UHFFFAOYSA-N 1 1 412.493 4.312 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000561951839 944872044 /nfs/dbraw/zinc/87/20/44/944872044.db2.gz ZIMIWXSLHOAOHH-NHCUHLMSSA-N 1 1 409.555 4.419 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000561951839 944872048 /nfs/dbraw/zinc/87/20/48/944872048.db2.gz ZIMIWXSLHOAOHH-NHCUHLMSSA-N 1 1 409.555 4.419 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000561958430 944875213 /nfs/dbraw/zinc/87/52/13/944875213.db2.gz VISTUAQTMGZNQD-UHFFFAOYSA-N 1 1 418.488 4.456 20 30 HIEDMO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000562024257 944899232 /nfs/dbraw/zinc/89/92/32/944899232.db2.gz GYTXIYATVSFLDH-QGZVFWFLSA-N 1 1 403.983 4.083 20 30 HIEDMO N#CC1(CCC[N@@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CCOCC1 ZINC000564152106 945402781 /nfs/dbraw/zinc/40/27/81/945402781.db2.gz MADLWELFTWEXCX-GOSISDBHSA-N 1 1 418.887 4.208 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccccc2)n1 ZINC000565730061 945872555 /nfs/dbraw/zinc/87/25/55/945872555.db2.gz MZKJYLPJATXYGT-UHFFFAOYSA-N 1 1 421.495 4.454 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000567318914 946310729 /nfs/dbraw/zinc/31/07/29/946310729.db2.gz AQGBOWFVHFSSOA-IERDGZPVSA-N 1 1 423.582 4.455 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000567318914 946310736 /nfs/dbraw/zinc/31/07/36/946310736.db2.gz AQGBOWFVHFSSOA-IERDGZPVSA-N 1 1 423.582 4.455 20 30 HIEDMO C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OCC ZINC000567393319 946323014 /nfs/dbraw/zinc/32/30/14/946323014.db2.gz BXXOHWHXGTZWSS-RPBOFIJWSA-N 1 1 421.585 4.446 20 30 HIEDMO C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OCC ZINC000567393317 946323633 /nfs/dbraw/zinc/32/36/33/946323633.db2.gz BXXOHWHXGTZWSS-JWQCQUIFSA-N 1 1 421.585 4.446 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000568014854 946442091 /nfs/dbraw/zinc/44/20/91/946442091.db2.gz PXHDSCOUDLSXJH-UHFFFAOYSA-N 1 1 406.578 4.175 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000568536822 946580780 /nfs/dbraw/zinc/58/07/80/946580780.db2.gz WDVJZNDUVVBKFZ-IFMALSPDSA-N 1 1 418.589 4.484 20 30 HIEDMO COC(=O)c1cc(C(C)(C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)no1 ZINC000568935223 946767883 /nfs/dbraw/zinc/76/78/83/946767883.db2.gz MPYRLTJVAOCCTQ-UHFFFAOYSA-N 1 1 403.482 4.186 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000571146389 947528281 /nfs/dbraw/zinc/52/82/81/947528281.db2.gz OGYUQXQBGPDGIW-FQEVSTJZSA-N 1 1 408.594 4.397 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000571365800 947623682 /nfs/dbraw/zinc/62/36/82/947623682.db2.gz SZTNIOYWCQJZAY-UGKGYDQZSA-N 1 1 402.546 4.188 20 30 HIEDMO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571570884 947706140 /nfs/dbraw/zinc/70/61/40/947706140.db2.gz DDMCQXUFOJNESS-OAQYLSRUSA-N 1 1 421.545 4.188 20 30 HIEDMO Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@@H](O)C[N@H+](C)C3CC3)n2)o1 ZINC000572896885 948033421 /nfs/dbraw/zinc/03/34/21/948033421.db2.gz OGGVKFZDCGIJRX-ZDUSSCGKSA-N 1 1 411.449 4.088 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410977 948197261 /nfs/dbraw/zinc/19/72/61/948197261.db2.gz POOJVTUFLRZBTH-GAJHUEQPSA-N 1 1 417.513 4.226 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000573883530 948319537 /nfs/dbraw/zinc/31/95/37/948319537.db2.gz WKJQQRJHGRNFCY-UHFFFAOYSA-N 1 1 401.352 4.426 20 30 HIEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000574128048 948373414 /nfs/dbraw/zinc/37/34/14/948373414.db2.gz WBCFYRVLKNAEPG-UHFFFAOYSA-N 1 1 404.562 4.096 20 30 HIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)cc1Cl ZINC000574624781 948493588 /nfs/dbraw/zinc/49/35/88/948493588.db2.gz PAMOXOJODRLWFA-LLVKDONJSA-N 1 1 416.852 4.485 20 30 HIEDMO Cc1cnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(C#C[Si](C)(C)C)c1 ZINC001164652926 719314106 /nfs/dbraw/zinc/31/41/06/719314106.db2.gz UMEMNQSWWAFTSC-UHFFFAOYSA-N 1 1 409.654 4.021 20 30 HIEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722411 720483296 /nfs/dbraw/zinc/48/32/96/720483296.db2.gz AFQXPHILTMTKGB-WOJBJXKFSA-N 1 1 407.880 4.147 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731175 720488169 /nfs/dbraw/zinc/48/81/69/720488169.db2.gz WJTVZCVJIDBCAO-PMACEKPBSA-N 1 1 403.917 4.317 20 30 HIEDMO Cc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(C#C[Si](C)(C)C)c1 ZINC001164858959 720987464 /nfs/dbraw/zinc/98/74/64/720987464.db2.gz JOMUPSXPSBPWRQ-LJQANCHMSA-N 1 1 409.654 4.237 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900529 721520773 /nfs/dbraw/zinc/52/07/73/721520773.db2.gz RVZVPCAJPAXLPE-HOCLYGCPSA-N 1 1 421.303 4.050 20 30 HIEDMO C=CC[NH+]1CCN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])CC1 ZINC001165034490 721873362 /nfs/dbraw/zinc/87/33/62/721873362.db2.gz LVXFNSJEVKEYSA-UHFFFAOYSA-N 1 1 404.470 4.030 20 30 HIEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164939763 721925070 /nfs/dbraw/zinc/92/50/70/721925070.db2.gz MUEQENUJDWMRJE-UHFFFAOYSA-N 1 1 412.537 4.286 20 30 HIEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1N1CCCC1 ZINC000009976425 845610117 /nfs/dbraw/zinc/61/01/17/845610117.db2.gz XKTHQOJGCPJZML-UHFFFAOYSA-N 1 1 410.949 4.319 20 30 HIEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1N1CCCC1 ZINC000009976425 845610125 /nfs/dbraw/zinc/61/01/25/845610125.db2.gz XKTHQOJGCPJZML-UHFFFAOYSA-N 1 1 410.949 4.319 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000012817846 845892516 /nfs/dbraw/zinc/89/25/16/845892516.db2.gz WPFDEEAIMBQQSW-UHFFFAOYSA-N 1 1 408.477 4.218 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406622 846438875 /nfs/dbraw/zinc/43/88/75/846438875.db2.gz GOCNAQMLQPYALU-SANMLTNESA-N 1 1 424.548 4.446 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)cc1 ZINC000022198505 846544836 /nfs/dbraw/zinc/54/48/36/846544836.db2.gz ZGLATEJPBRGQQA-UHFFFAOYSA-N 1 1 418.360 4.332 20 30 HIEDMO CCCCCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752801 846746017 /nfs/dbraw/zinc/74/60/17/846746017.db2.gz HGAVKVYGIOTZAM-UHFFFAOYSA-N 1 1 405.542 4.475 20 30 HIEDMO CCCCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752801 846746021 /nfs/dbraw/zinc/74/60/21/846746021.db2.gz HGAVKVYGIOTZAM-UHFFFAOYSA-N 1 1 405.542 4.475 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025034820 846909125 /nfs/dbraw/zinc/90/91/25/846909125.db2.gz XCJPWPGOFSOGLZ-FQEVSTJZSA-N 1 1 404.967 4.184 20 30 HIEDMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026454447 847149491 /nfs/dbraw/zinc/14/94/91/847149491.db2.gz DFEZIGZREUPEIE-AWEZNQCLSA-N 1 1 403.429 4.017 20 30 HIEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026454447 847149521 /nfs/dbraw/zinc/14/95/21/847149521.db2.gz DFEZIGZREUPEIE-AWEZNQCLSA-N 1 1 403.429 4.017 20 30 HIEDMO COc1ccc(C([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000029643182 847594931 /nfs/dbraw/zinc/59/49/31/847594931.db2.gz UYOKJUSRPJNDNY-UHFFFAOYSA-N 1 1 421.541 4.068 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985408 847664115 /nfs/dbraw/zinc/66/41/15/847664115.db2.gz OBZFGJNNHWCQLC-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985408 847664122 /nfs/dbraw/zinc/66/41/22/847664122.db2.gz OBZFGJNNHWCQLC-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)cc1 ZINC000030034785 847675292 /nfs/dbraw/zinc/67/52/92/847675292.db2.gz UNRGERAULBOXKI-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)cc1 ZINC000030034785 847675302 /nfs/dbraw/zinc/67/53/02/847675302.db2.gz UNRGERAULBOXKI-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000032058960 847983709 /nfs/dbraw/zinc/98/37/09/847983709.db2.gz AHJUJHSQOXBHMF-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000032058960 847983713 /nfs/dbraw/zinc/98/37/13/847983713.db2.gz AHJUJHSQOXBHMF-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137721 849358037 /nfs/dbraw/zinc/35/80/37/849358037.db2.gz OEJMRIXKVZLLIT-HXUWFJFHSA-N 1 1 413.587 4.367 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050959415 849423110 /nfs/dbraw/zinc/42/31/10/849423110.db2.gz SYZLAKUQMHPBKV-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050959415 849423115 /nfs/dbraw/zinc/42/31/15/849423115.db2.gz SYZLAKUQMHPBKV-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050959415 849423123 /nfs/dbraw/zinc/42/31/23/849423123.db2.gz SYZLAKUQMHPBKV-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113134 849668494 /nfs/dbraw/zinc/66/84/94/849668494.db2.gz OEBHMIUMASPEBG-INIZCTEOSA-N 1 1 419.447 4.481 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113134 849668500 /nfs/dbraw/zinc/66/85/00/849668500.db2.gz OEBHMIUMASPEBG-INIZCTEOSA-N 1 1 419.447 4.481 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000054532916 849885112 /nfs/dbraw/zinc/88/51/12/849885112.db2.gz SALPIRAVWDNSGS-UHFFFAOYSA-N 1 1 402.420 4.317 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000055889965 850195866 /nfs/dbraw/zinc/19/58/66/850195866.db2.gz JQFFSCRYHAWCLU-SFTDATJTSA-N 1 1 402.325 4.481 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469648 851109450 /nfs/dbraw/zinc/10/94/50/851109450.db2.gz KAMHLXIXOFMKJU-WZONZLPQSA-N 1 1 421.541 4.322 20 30 HIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000061001787 851270256 /nfs/dbraw/zinc/27/02/56/851270256.db2.gz LGSMHIDETSFWFC-UHFFFAOYSA-N 1 1 405.401 4.489 20 30 HIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000061001787 851270264 /nfs/dbraw/zinc/27/02/64/851270264.db2.gz LGSMHIDETSFWFC-UHFFFAOYSA-N 1 1 405.401 4.489 20 30 HIEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)c2)c1 ZINC000063648493 851733995 /nfs/dbraw/zinc/73/39/95/851733995.db2.gz SKHOMLZWRKXRSK-XMMPIXPASA-N 1 1 424.504 4.414 20 30 HIEDMO Cc1[nH]c2ccc(CNC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000065031623 852044444 /nfs/dbraw/zinc/04/44/44/852044444.db2.gz WOSNRRRFZNLMDW-UHFFFAOYSA-N 1 1 415.541 4.074 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)CCO1 ZINC000072013594 852465407 /nfs/dbraw/zinc/46/54/07/852465407.db2.gz ROEDPHQEQHURMQ-GOSISDBHSA-N 1 1 421.566 4.035 20 30 HIEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1Br ZINC000105422526 852704510 /nfs/dbraw/zinc/70/45/10/852704510.db2.gz DTFCWLZMVSSDCG-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1Br ZINC000105422526 852704515 /nfs/dbraw/zinc/70/45/15/852704515.db2.gz DTFCWLZMVSSDCG-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000106073096 852751151 /nfs/dbraw/zinc/75/11/51/852751151.db2.gz PXLISSMGXAAHQF-UHFFFAOYSA-N 1 1 424.545 4.040 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000106073096 852751159 /nfs/dbraw/zinc/75/11/59/852751159.db2.gz PXLISSMGXAAHQF-UHFFFAOYSA-N 1 1 424.545 4.040 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000111045744 853193738 /nfs/dbraw/zinc/19/37/38/853193738.db2.gz NPZOYMYISYZCDP-HTAPYJJXSA-N 1 1 404.539 4.303 20 30 HIEDMO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1C(F)(F)F ZINC000111106782 853202684 /nfs/dbraw/zinc/20/26/84/853202684.db2.gz XEZTWQKCUSRNEM-UHFFFAOYSA-N 1 1 402.420 4.092 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000116729805 853330434 /nfs/dbraw/zinc/33/04/34/853330434.db2.gz ULUBVVCVCPOYAL-JOCHJYFZSA-N 1 1 422.573 4.049 20 30 HIEDMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236669583 853909616 /nfs/dbraw/zinc/90/96/16/853909616.db2.gz ZKHXVWWVPBGMMC-QFIPXVFZSA-N 1 1 401.514 4.477 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000236690849 853912453 /nfs/dbraw/zinc/91/24/53/853912453.db2.gz DZWCBVJNAOLESO-UHFFFAOYSA-N 1 1 417.395 4.382 20 30 HIEDMO CC(=O)N(c1nc(C[NH2+]CCOc2ccc(C#N)cc2)cs1)c1ccc(C)cc1 ZINC000236739862 853918672 /nfs/dbraw/zinc/91/86/72/853918672.db2.gz JVJHVBDZGXMQLY-UHFFFAOYSA-N 1 1 406.511 4.176 20 30 HIEDMO CCc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236967790 853944181 /nfs/dbraw/zinc/94/41/81/853944181.db2.gz XZLLKLVGVATPOR-JOCHJYFZSA-N 1 1 410.564 4.465 20 30 HIEDMO C=CCOc1c(Br)cc(CNC2CC[NH+](CC(=C)C)CC2)cc1OC ZINC000237112868 853966484 /nfs/dbraw/zinc/96/64/84/853966484.db2.gz CEAUCNPCIBAGKR-UHFFFAOYSA-N 1 1 409.368 4.153 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000261384405 854243157 /nfs/dbraw/zinc/24/31/57/854243157.db2.gz UBFLQRQXSXNKQG-SFHVURJKSA-N 1 1 401.526 4.275 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301907241 854489611 /nfs/dbraw/zinc/48/96/11/854489611.db2.gz QZTFFLXZRAPYSQ-KRWDZBQOSA-N 1 1 401.470 4.115 20 30 HIEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302637415 854595768 /nfs/dbraw/zinc/59/57/68/854595768.db2.gz HOQPNHWBZTWMJV-OAHLLOKOSA-N 1 1 405.433 4.037 20 30 HIEDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000302752573 854621739 /nfs/dbraw/zinc/62/17/39/854621739.db2.gz ITGFXMUQIMWFGU-CQSZACIVSA-N 1 1 413.543 4.195 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000303059454 854742556 /nfs/dbraw/zinc/74/25/56/854742556.db2.gz XBKZITZXOWQSHK-SFHVURJKSA-N 1 1 406.530 4.030 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000303059454 854742558 /nfs/dbraw/zinc/74/25/58/854742558.db2.gz XBKZITZXOWQSHK-SFHVURJKSA-N 1 1 406.530 4.030 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000303589065 855061792 /nfs/dbraw/zinc/06/17/92/855061792.db2.gz UMIKJNIZYYXDHI-FQEVSTJZSA-N 1 1 421.589 4.481 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303619480 855081683 /nfs/dbraw/zinc/08/16/83/855081683.db2.gz PJIPKCUQGOTKEZ-KURKYZTESA-N 1 1 402.970 4.125 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303667004 855118876 /nfs/dbraw/zinc/11/88/76/855118876.db2.gz WMSOWCSQNUMVKJ-JTHBVZDNSA-N 1 1 410.606 4.137 20 30 HIEDMO C#CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000303875747 855264455 /nfs/dbraw/zinc/26/44/55/855264455.db2.gz IRXSZDVZSFUNBG-UHFFFAOYSA-N 1 1 417.336 4.400 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000409470680 855496365 /nfs/dbraw/zinc/49/63/65/855496365.db2.gz UCVOUHLAOVJXQL-KRWDZBQOSA-N 1 1 424.314 4.182 20 30 HIEDMO N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728699 855623692 /nfs/dbraw/zinc/62/36/92/855623692.db2.gz QCGNGRGFTOCVEF-FXAWDEMLSA-N 1 1 400.448 4.463 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1F ZINC000409808478 855664367 /nfs/dbraw/zinc/66/43/67/855664367.db2.gz NJASKASDEUKZOT-UHFFFAOYSA-N 1 1 407.449 4.300 20 30 HIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000426356264 856256844 /nfs/dbraw/zinc/25/68/44/856256844.db2.gz IKHZYFHXPGBZQB-SFHVURJKSA-N 1 1 402.464 4.254 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H](COC)C3)sc2C1 ZINC000426461382 856302831 /nfs/dbraw/zinc/30/28/31/856302831.db2.gz OZAFNGAUELUJDN-CVEARBPZSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H](COC)C3)sc2C1 ZINC000426461382 856302841 /nfs/dbraw/zinc/30/28/41/856302841.db2.gz OZAFNGAUELUJDN-CVEARBPZSA-N 1 1 403.592 4.068 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437424914 862801016 /nfs/dbraw/zinc/80/10/16/862801016.db2.gz GYWWTUBQFPMAQK-UHFFFAOYSA-N 1 1 418.419 4.085 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000426742090 856446888 /nfs/dbraw/zinc/44/68/88/856446888.db2.gz NYRWWNSMGBEBGE-CYBMUJFWSA-N 1 1 414.296 4.340 20 30 HIEDMO N#CCCn1ncc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1-c1ccccc1 ZINC000428340671 857162172 /nfs/dbraw/zinc/16/21/72/857162172.db2.gz KVQAJBPVNCXQEO-NRFANRHFSA-N 1 1 417.513 4.014 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811623 857356286 /nfs/dbraw/zinc/35/62/86/857356286.db2.gz JUIDGMCYTJTLNG-VWNXMTODSA-N 1 1 412.493 4.095 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811623 857356290 /nfs/dbraw/zinc/35/62/90/857356290.db2.gz JUIDGMCYTJTLNG-VWNXMTODSA-N 1 1 412.493 4.095 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813372 857356955 /nfs/dbraw/zinc/35/69/55/857356955.db2.gz PLHJSJITKHWXSW-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813372 857356963 /nfs/dbraw/zinc/35/69/63/857356963.db2.gz PLHJSJITKHWXSW-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000429062971 857486954 /nfs/dbraw/zinc/48/69/54/857486954.db2.gz GTWDWZFQBPWLIH-FQEVSTJZSA-N 1 1 424.520 4.472 20 30 HIEDMO CCN(CCC#N)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000429066015 857490165 /nfs/dbraw/zinc/49/01/65/857490165.db2.gz SYCGVTSMTDWYOY-UHFFFAOYSA-N 1 1 422.529 4.030 20 30 HIEDMO CCN(CCC#N)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000429066015 857490170 /nfs/dbraw/zinc/49/01/70/857490170.db2.gz SYCGVTSMTDWYOY-UHFFFAOYSA-N 1 1 422.529 4.030 20 30 HIEDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429235747 857568336 /nfs/dbraw/zinc/56/83/36/857568336.db2.gz RNDVEGZBKJIQHJ-UHFFFAOYSA-N 1 1 424.593 4.201 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)c2ccccc2F)c1C#N ZINC000429241429 857570258 /nfs/dbraw/zinc/57/02/58/857570258.db2.gz WHPVBVRNLYJHML-UHFFFAOYSA-N 1 1 408.477 4.220 20 30 HIEDMO Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)nc(N2CCCC2)n1 ZINC000430144835 858051701 /nfs/dbraw/zinc/05/17/01/858051701.db2.gz HUDOXSYEJPESPS-UHFFFAOYSA-N 1 1 413.525 4.126 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177528 858067619 /nfs/dbraw/zinc/06/76/19/858067619.db2.gz MQHSDXXAZABXPH-NRFANRHFSA-N 1 1 415.493 4.291 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185466 858072416 /nfs/dbraw/zinc/07/24/16/858072416.db2.gz HOBIUTZUBZUXDP-XMMPIXPASA-N 1 1 410.477 4.057 20 30 HIEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3cccc(C#N)c3C)CC2)c1C ZINC000431699481 858748290 /nfs/dbraw/zinc/74/82/90/858748290.db2.gz WFHGBRRXSJPIRX-UHFFFAOYSA-N 1 1 421.545 4.015 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306099 859629602 /nfs/dbraw/zinc/62/96/02/859629602.db2.gz ROZIEWZSKJHNMQ-WBVHZDCISA-N 1 1 412.331 4.212 20 30 HIEDMO COc1cc(Br)c(OCC[N@H+](C)CC(C)(C)C#N)cc1Br ZINC000433310292 859630753 /nfs/dbraw/zinc/63/07/53/859630753.db2.gz BDUDBERQCJNSSS-UHFFFAOYSA-N 1 1 420.145 4.081 20 30 HIEDMO COc1cc(Br)c(OCC[N@@H+](C)CC(C)(C)C#N)cc1Br ZINC000433310292 859630759 /nfs/dbraw/zinc/63/07/59/859630759.db2.gz BDUDBERQCJNSSS-UHFFFAOYSA-N 1 1 420.145 4.081 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690246 881483399 /nfs/dbraw/zinc/48/33/99/881483399.db2.gz COCQLABXQKSCOL-GCJKJVERSA-N 1 1 412.493 4.138 20 30 HIEDMO Cc1cc2sc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc2cc1F ZINC000434506196 860377811 /nfs/dbraw/zinc/37/78/11/860377811.db2.gz UEFYUFNUCFHYQD-UHFFFAOYSA-N 1 1 423.517 4.355 20 30 HIEDMO Cc1cc2sc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc2cc1F ZINC000434506196 860377816 /nfs/dbraw/zinc/37/78/16/860377816.db2.gz UEFYUFNUCFHYQD-UHFFFAOYSA-N 1 1 423.517 4.355 20 30 HIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981551 860585010 /nfs/dbraw/zinc/58/50/10/860585010.db2.gz GPTCZEGBZROMAC-QHCPKHFHSA-N 1 1 401.514 4.377 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000435131678 860656039 /nfs/dbraw/zinc/65/60/39/860656039.db2.gz DVKBMDFQJIAHIT-UHFFFAOYSA-N 1 1 415.419 4.389 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@H+]1C ZINC000437981694 863346775 /nfs/dbraw/zinc/34/67/75/863346775.db2.gz BBZLLRGINUJWNZ-OXJNMPFZSA-N 1 1 410.493 4.223 20 30 HIEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)[nH+]c1 ZINC000438041300 863400783 /nfs/dbraw/zinc/40/07/83/863400783.db2.gz WQUXUEMCFCDCHS-QGZVFWFLSA-N 1 1 409.559 4.432 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000438084294 863481815 /nfs/dbraw/zinc/48/18/15/863481815.db2.gz ZWBOGMOXKVVARR-VEXUSMLFSA-N 1 1 418.541 4.383 20 30 HIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000438716028 864199225 /nfs/dbraw/zinc/19/92/25/864199225.db2.gz HAWGGOISSHELAE-HNNXBMFYSA-N 1 1 415.419 4.008 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000438859009 864352441 /nfs/dbraw/zinc/35/24/41/864352441.db2.gz OWGIBXXKKIITRT-JXALWOEJSA-N 1 1 420.557 4.140 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000438859009 864352457 /nfs/dbraw/zinc/35/24/57/864352457.db2.gz OWGIBXXKKIITRT-JXALWOEJSA-N 1 1 420.557 4.140 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315949 864748859 /nfs/dbraw/zinc/74/88/59/864748859.db2.gz QEACFCQDPMHTRC-WZONZLPQSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315949 864748882 /nfs/dbraw/zinc/74/88/82/864748882.db2.gz QEACFCQDPMHTRC-WZONZLPQSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369614 864805407 /nfs/dbraw/zinc/80/54/07/864805407.db2.gz GXSUXSIRZDJWFY-SBUREZEXSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369614 864805410 /nfs/dbraw/zinc/80/54/10/864805410.db2.gz GXSUXSIRZDJWFY-SBUREZEXSA-N 1 1 405.546 4.335 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378861 864810796 /nfs/dbraw/zinc/81/07/96/864810796.db2.gz OXYBKMAXHZWIRZ-HTAPYJJXSA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378861 864810798 /nfs/dbraw/zinc/81/07/98/864810798.db2.gz OXYBKMAXHZWIRZ-HTAPYJJXSA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392448 864817180 /nfs/dbraw/zinc/81/71/80/864817180.db2.gz AJNLVPCCTMSUNH-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392448 864817183 /nfs/dbraw/zinc/81/71/83/864817183.db2.gz AJNLVPCCTMSUNH-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487792 864849254 /nfs/dbraw/zinc/84/92/54/864849254.db2.gz VYOVVFNIHLDJFY-OPAMFIHVSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487792 864849256 /nfs/dbraw/zinc/84/92/56/864849256.db2.gz VYOVVFNIHLDJFY-OPAMFIHVSA-N 1 1 409.509 4.165 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439550308 864876615 /nfs/dbraw/zinc/87/66/15/864876615.db2.gz OLRMZLZSZSXWNK-HXUWFJFHSA-N 1 1 422.548 4.237 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551473 865816007 /nfs/dbraw/zinc/81/60/07/865816007.db2.gz CCDFRKYKGNLXNT-URXFXBBRSA-N 1 1 423.944 4.320 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551473 865816009 /nfs/dbraw/zinc/81/60/09/865816009.db2.gz CCDFRKYKGNLXNT-URXFXBBRSA-N 1 1 423.944 4.320 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000440638877 865853400 /nfs/dbraw/zinc/85/34/00/865853400.db2.gz RBBWKDMGCZPSLZ-AUUYWEPGSA-N 1 1 411.347 4.322 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441033235 866097201 /nfs/dbraw/zinc/09/72/01/866097201.db2.gz MNRPHALVWLIFIR-LZJOCLMNSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441033235 866097216 /nfs/dbraw/zinc/09/72/16/866097216.db2.gz MNRPHALVWLIFIR-LZJOCLMNSA-N 1 1 409.555 4.343 20 30 HIEDMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C1(C#N)CCCCC1 ZINC000441114954 866211830 /nfs/dbraw/zinc/21/18/30/866211830.db2.gz NMGPFJHLUMYZOF-AWEZNQCLSA-N 1 1 414.497 4.026 20 30 HIEDMO CN(C(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C1(C#N)CCCCC1 ZINC000441114954 866211849 /nfs/dbraw/zinc/21/18/49/866211849.db2.gz NMGPFJHLUMYZOF-AWEZNQCLSA-N 1 1 414.497 4.026 20 30 HIEDMO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260966 866334704 /nfs/dbraw/zinc/33/47/04/866334704.db2.gz OKNQFCJRLWMXRL-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260966 866334719 /nfs/dbraw/zinc/33/47/19/866334719.db2.gz OKNQFCJRLWMXRL-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000441487665 866568756 /nfs/dbraw/zinc/56/87/56/866568756.db2.gz FWGSOLQBYIZEEM-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441487665 866568775 /nfs/dbraw/zinc/56/87/75/866568775.db2.gz FWGSOLQBYIZEEM-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441487665 866568789 /nfs/dbraw/zinc/56/87/89/866568789.db2.gz FWGSOLQBYIZEEM-QHCPKHFHSA-N 1 1 415.541 4.485 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000442197732 867220433 /nfs/dbraw/zinc/22/04/33/867220433.db2.gz XNFOVLNJOWNUGJ-ZIAGYGMSSA-N 1 1 410.440 4.231 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3Oc3ccccc3)CC2)cc1 ZINC000442426357 867396248 /nfs/dbraw/zinc/39/62/48/867396248.db2.gz WLVAKIGOKWNGBD-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3Oc3ccccc3)CC2)cc1 ZINC000442426357 867396268 /nfs/dbraw/zinc/39/62/68/867396268.db2.gz WLVAKIGOKWNGBD-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010369 867790983 /nfs/dbraw/zinc/79/09/83/867790983.db2.gz DKVBFVYWGKIHCG-AEFFLSMTSA-N 1 1 417.962 4.058 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000443875906 868408433 /nfs/dbraw/zinc/40/84/33/868408433.db2.gz HBYLNJMEVJPYOK-GJZGRUSLSA-N 1 1 417.431 4.439 20 30 HIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000444127982 868632536 /nfs/dbraw/zinc/63/25/36/868632536.db2.gz POLCSGOEZOUJEC-QFIPXVFZSA-N 1 1 421.541 4.391 20 30 HIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000444127972 868632629 /nfs/dbraw/zinc/63/26/29/868632629.db2.gz POLCSGOEZOUJEC-JOCHJYFZSA-N 1 1 421.541 4.391 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@H+](CCCO)C(c2ccccc2)c2ccccc2)c1 ZINC000444158270 868642637 /nfs/dbraw/zinc/64/26/37/868642637.db2.gz SXKRQERDQQEJEU-UHFFFAOYSA-N 1 1 413.521 4.361 20 30 HIEDMO CC1CCC([N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]2CCCO2)CC1 ZINC000444210156 868668596 /nfs/dbraw/zinc/66/85/96/868668596.db2.gz DWDMFVSXPZCEMO-CTWPCTMYSA-N 1 1 401.576 4.300 20 30 HIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000444663704 868940978 /nfs/dbraw/zinc/94/09/78/868940978.db2.gz LAIZXXMGFOUAIU-DHIUTWEWSA-N 1 1 410.583 4.174 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000444663704 868940996 /nfs/dbraw/zinc/94/09/96/868940996.db2.gz LAIZXXMGFOUAIU-DHIUTWEWSA-N 1 1 410.583 4.174 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444667116 868945650 /nfs/dbraw/zinc/94/56/50/868945650.db2.gz ATMOFJYABFBSJJ-NEPJUHHUSA-N 1 1 401.417 4.191 20 30 HIEDMO Cn1cc([C@@H]2CSCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000444695040 868961254 /nfs/dbraw/zinc/96/12/54/868961254.db2.gz LEMOVUBRELEDQV-QHCPKHFHSA-N 1 1 402.567 4.410 20 30 HIEDMO Cn1cc([C@@H]2CSCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000444695040 868961261 /nfs/dbraw/zinc/96/12/61/868961261.db2.gz LEMOVUBRELEDQV-QHCPKHFHSA-N 1 1 402.567 4.410 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000446829784 870744567 /nfs/dbraw/zinc/74/45/67/870744567.db2.gz LKUFXHHJQUPCOX-INIZCTEOSA-N 1 1 420.351 4.136 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000447682176 871613438 /nfs/dbraw/zinc/61/34/38/871613438.db2.gz WFERINLKGRGASH-UHFFFAOYSA-N 1 1 410.424 4.459 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448451759 872398232 /nfs/dbraw/zinc/39/82/32/872398232.db2.gz ZOEMJCKGUMBNJS-OFVILXPXSA-N 1 1 415.537 4.226 20 30 HIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448529412 872526342 /nfs/dbraw/zinc/52/63/42/872526342.db2.gz NXMHQPLLRKJDBX-MRXNPFEDSA-N 1 1 400.404 4.210 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460215627 872801439 /nfs/dbraw/zinc/80/14/39/872801439.db2.gz RBNBJHBUMLYECL-UHFFFAOYSA-N 1 1 420.948 4.202 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460775441 873626620 /nfs/dbraw/zinc/62/66/20/873626620.db2.gz GDCWNOXJTBSBSW-OAQYLSRUSA-N 1 1 416.573 4.325 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460781668 873638662 /nfs/dbraw/zinc/63/86/62/873638662.db2.gz UVCZVCIUIPLDAB-PZJWPPBQSA-N 1 1 401.599 4.044 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460801303 873672838 /nfs/dbraw/zinc/67/28/38/873672838.db2.gz WCCFATFSFZJHAT-BBTUJRGHSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460924043 873829211 /nfs/dbraw/zinc/82/92/11/873829211.db2.gz FOGOGWPNYZDHHJ-PZJWPPBQSA-N 1 1 404.562 4.339 20 30 HIEDMO N#CCC[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000460936919 873837308 /nfs/dbraw/zinc/83/73/08/873837308.db2.gz ZYUDUSOYSQDTPF-SGNDLWITSA-N 1 1 402.542 4.195 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460953662 873851506 /nfs/dbraw/zinc/85/15/06/873851506.db2.gz ATPBXYFXDDGHSR-UDIDDNNKSA-N 1 1 423.605 4.408 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461478750 874536429 /nfs/dbraw/zinc/53/64/29/874536429.db2.gz KFMQHOZJHXJDRU-UWJYYQICSA-N 1 1 420.586 4.093 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461478747 874536478 /nfs/dbraw/zinc/53/64/78/874536478.db2.gz KFMQHOZJHXJDRU-DYESRHJHSA-N 1 1 420.586 4.093 20 30 HIEDMO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(C#N)c1 ZINC000461924314 875063460 /nfs/dbraw/zinc/06/34/60/875063460.db2.gz VCAFNQIGLUYIDK-MRXNPFEDSA-N 1 1 415.459 4.461 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000461986616 875107006 /nfs/dbraw/zinc/10/70/06/875107006.db2.gz PHBZDENHNVLGKX-UHFFFAOYSA-N 1 1 415.497 4.222 20 30 HIEDMO C[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1cccc(C#N)c1 ZINC000462029624 875144030 /nfs/dbraw/zinc/14/40/30/875144030.db2.gz VJBSPOUDIJFHAD-SFHVURJKSA-N 1 1 414.509 4.098 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462258143 875382049 /nfs/dbraw/zinc/38/20/49/875382049.db2.gz QRPRXEQIUHKUPD-WXVUKLJWSA-N 1 1 404.558 4.124 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462258143 875382063 /nfs/dbraw/zinc/38/20/63/875382063.db2.gz QRPRXEQIUHKUPD-WXVUKLJWSA-N 1 1 404.558 4.124 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000462531534 875649049 /nfs/dbraw/zinc/64/90/49/875649049.db2.gz VHUGVDLTKVLMKY-CQSZACIVSA-N 1 1 400.336 4.015 20 30 HIEDMO Cn1cc(C[N@@H+](C)CCc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000462830060 875864435 /nfs/dbraw/zinc/86/44/35/875864435.db2.gz SQGZAGZGTFCWIU-UHFFFAOYSA-N 1 1 409.331 4.396 20 30 HIEDMO N#Cc1cccc(COc2cccc(CNc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)c2)c1 ZINC000462851645 875885801 /nfs/dbraw/zinc/88/58/01/875885801.db2.gz DUGXKEPUYAOSII-RUZDIDTESA-N 1 1 413.521 4.316 20 30 HIEDMO OC[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870072 875900750 /nfs/dbraw/zinc/90/07/50/875900750.db2.gz YSQOLASWKMIVEW-YPMHNXCESA-N 1 1 407.301 4.008 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1C ZINC000463195172 876254828 /nfs/dbraw/zinc/25/48/28/876254828.db2.gz VUCFLCSLHYDWHO-KXHCOYLBSA-N 1 1 411.590 4.202 20 30 HIEDMO N#CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000463204223 876264756 /nfs/dbraw/zinc/26/47/56/876264756.db2.gz QPGZXVUQDLLHGF-UHFFFAOYSA-N 1 1 402.420 4.121 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000468990330 883057924 /nfs/dbraw/zinc/05/79/24/883057924.db2.gz MRSQPCRQLKAZNX-QFIPXVFZSA-N 1 1 414.553 4.239 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000469032784 883101903 /nfs/dbraw/zinc/10/19/03/883101903.db2.gz RBZDVOKUPVQZGL-KRWDZBQOSA-N 1 1 404.539 4.299 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000469032784 883101917 /nfs/dbraw/zinc/10/19/17/883101917.db2.gz RBZDVOKUPVQZGL-KRWDZBQOSA-N 1 1 404.539 4.299 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000464416162 877623488 /nfs/dbraw/zinc/62/34/88/877623488.db2.gz GOCVXAVEWVMBFC-PZJWPPBQSA-N 1 1 408.542 4.385 20 30 HIEDMO CSc1cc(C)ccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464752851 877991802 /nfs/dbraw/zinc/99/18/02/877991802.db2.gz SIDPFLBKPKHFFD-UHFFFAOYSA-N 1 1 408.571 4.006 20 30 HIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000464795710 878041334 /nfs/dbraw/zinc/04/13/34/878041334.db2.gz RWKQWRYXNDYRQQ-OAQYLSRUSA-N 1 1 403.526 4.463 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841878 878112809 /nfs/dbraw/zinc/11/28/09/878112809.db2.gz YSFFLGYZZJHDSX-NRFANRHFSA-N 1 1 409.599 4.357 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000464945921 878282119 /nfs/dbraw/zinc/28/21/19/878282119.db2.gz VIUQJQVRBOZRJM-QHCPKHFHSA-N 1 1 407.583 4.162 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000465471870 878907815 /nfs/dbraw/zinc/90/78/15/878907815.db2.gz WUXKJEGTULSJHR-UZUQRXQVSA-N 1 1 402.498 4.333 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465531526 878987617 /nfs/dbraw/zinc/98/76/17/878987617.db2.gz SBFOSWQPCLPYNE-HDICACEKSA-N 1 1 408.521 4.175 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1F ZINC000465711885 879280961 /nfs/dbraw/zinc/28/09/61/879280961.db2.gz HCUOJKUOYVUJTP-UNMCSNQZSA-N 1 1 417.488 4.301 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000465887066 879542422 /nfs/dbraw/zinc/54/24/22/879542422.db2.gz GUHYWLLQFXZPMH-CAOCKLPOSA-N 1 1 416.569 4.032 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1cccs1 ZINC000466611037 880381503 /nfs/dbraw/zinc/38/15/03/880381503.db2.gz RTPSTYNAZQBBLG-LPHOPBHVSA-N 1 1 413.547 4.030 20 30 HIEDMO Cc1ccccc1-c1noc([C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000467186364 880912477 /nfs/dbraw/zinc/91/24/77/880912477.db2.gz KECSTZWUIVCUGV-LJQANCHMSA-N 1 1 401.514 4.186 20 30 HIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467277336 881020371 /nfs/dbraw/zinc/02/03/71/881020371.db2.gz DYMCBDBMOJOCPU-UHFFFAOYSA-N 1 1 421.310 4.242 20 30 HIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467277336 881020391 /nfs/dbraw/zinc/02/03/91/881020391.db2.gz DYMCBDBMOJOCPU-UHFFFAOYSA-N 1 1 421.310 4.242 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(Br)cccc3C2)cc1Cl ZINC000503575142 912657222 /nfs/dbraw/zinc/65/72/22/912657222.db2.gz ZTPCLSSSPCAPRW-UHFFFAOYSA-N 1 1 418.722 4.361 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(Br)cccc3C2)cc1Cl ZINC000503575142 912657237 /nfs/dbraw/zinc/65/72/37/912657237.db2.gz ZTPCLSSSPCAPRW-UHFFFAOYSA-N 1 1 418.722 4.361 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)on2)c1 ZINC000469346914 883465048 /nfs/dbraw/zinc/46/50/48/883465048.db2.gz YCHZMGDOKZFJSN-UHFFFAOYSA-N 1 1 404.495 4.014 20 30 HIEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000469741983 883897519 /nfs/dbraw/zinc/89/75/19/883897519.db2.gz MSMNHWPNBLFMBF-UHFFFAOYSA-N 1 1 402.376 4.138 20 30 HIEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000469741983 883897522 /nfs/dbraw/zinc/89/75/22/883897522.db2.gz MSMNHWPNBLFMBF-UHFFFAOYSA-N 1 1 402.376 4.138 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccc(Cl)cc1 ZINC000469761345 883928164 /nfs/dbraw/zinc/92/81/64/883928164.db2.gz SSIVWMYPEGSGOL-QWHCGFSZSA-N 1 1 402.951 4.374 20 30 HIEDMO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470202568 884516219 /nfs/dbraw/zinc/51/62/19/884516219.db2.gz ZUIWJJZOTRQKQT-OAQYLSRUSA-N 1 1 424.976 4.041 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000503894236 912853875 /nfs/dbraw/zinc/85/38/75/912853875.db2.gz RUIDTCGHJGNDHE-DEOSSOPVSA-N 1 1 403.501 4.368 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000503894236 912853877 /nfs/dbraw/zinc/85/38/77/912853877.db2.gz RUIDTCGHJGNDHE-DEOSSOPVSA-N 1 1 403.501 4.368 20 30 HIEDMO CCCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000470402508 884808111 /nfs/dbraw/zinc/80/81/11/884808111.db2.gz AHFKPKRJIZAQKY-UHFFFAOYSA-N 1 1 410.493 4.226 20 30 HIEDMO CCCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000470402508 884808112 /nfs/dbraw/zinc/80/81/12/884808112.db2.gz AHFKPKRJIZAQKY-UHFFFAOYSA-N 1 1 410.493 4.226 20 30 HIEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000470778532 885248294 /nfs/dbraw/zinc/24/82/94/885248294.db2.gz FBMBYHAFAZDIJG-QGZVFWFLSA-N 1 1 406.324 4.153 20 30 HIEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000470778532 885248318 /nfs/dbraw/zinc/24/83/18/885248318.db2.gz FBMBYHAFAZDIJG-QGZVFWFLSA-N 1 1 406.324 4.153 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471983965 886812227 /nfs/dbraw/zinc/81/22/27/886812227.db2.gz DQHYEVMYEHWEFW-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471983965 886812230 /nfs/dbraw/zinc/81/22/30/886812230.db2.gz DQHYEVMYEHWEFW-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO CSCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472238125 887045997 /nfs/dbraw/zinc/04/59/97/887045997.db2.gz JMJKXGUZLBFXSE-OAHLLOKOSA-N 1 1 402.564 4.020 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305170 887130034 /nfs/dbraw/zinc/13/00/34/887130034.db2.gz JFNXWRDPXIVTQG-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305170 887130039 /nfs/dbraw/zinc/13/00/39/887130039.db2.gz JFNXWRDPXIVTQG-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000472311816 887140001 /nfs/dbraw/zinc/14/00/01/887140001.db2.gz IYCKGOXZJSTMOB-RXVVDRJESA-N 1 1 414.456 4.191 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000472311816 887140009 /nfs/dbraw/zinc/14/00/09/887140009.db2.gz IYCKGOXZJSTMOB-RXVVDRJESA-N 1 1 414.456 4.191 20 30 HIEDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438321 887287131 /nfs/dbraw/zinc/28/71/31/887287131.db2.gz GTULCZMZSLKTKW-FQEVSTJZSA-N 1 1 421.501 4.080 20 30 HIEDMO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472479805 887342903 /nfs/dbraw/zinc/34/29/03/887342903.db2.gz QDWAGGFLFYDNBL-QFIPXVFZSA-N 1 1 414.553 4.334 20 30 HIEDMO Cc1nc(CN2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)oc1C ZINC000472603423 887474946 /nfs/dbraw/zinc/47/49/46/887474946.db2.gz MFZUBZMCMDCAOT-UHFFFAOYSA-N 1 1 414.553 4.309 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472807356 887652426 /nfs/dbraw/zinc/65/24/26/887652426.db2.gz RHWAIIZDBRRMMQ-NRFANRHFSA-N 1 1 419.569 4.115 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473758024 888550366 /nfs/dbraw/zinc/55/03/66/888550366.db2.gz XKOXDFBNYGJQDZ-GOTSBHOMSA-N 1 1 420.557 4.289 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473758024 888550376 /nfs/dbraw/zinc/55/03/76/888550376.db2.gz XKOXDFBNYGJQDZ-GOTSBHOMSA-N 1 1 420.557 4.289 20 30 HIEDMO N#C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000474395203 889264370 /nfs/dbraw/zinc/26/43/70/889264370.db2.gz TZLKOZWKEYVXTR-AVRDEDQJSA-N 1 1 413.443 4.374 20 30 HIEDMO N#C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000474395203 889264379 /nfs/dbraw/zinc/26/43/79/889264379.db2.gz TZLKOZWKEYVXTR-AVRDEDQJSA-N 1 1 413.443 4.374 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000474775971 889634121 /nfs/dbraw/zinc/63/41/21/889634121.db2.gz PWLRSTCSOKJZLW-KDURUIRLSA-N 1 1 405.542 4.027 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000475572502 890503328 /nfs/dbraw/zinc/50/33/28/890503328.db2.gz PDGAWWUKIVBCBB-FQEVSTJZSA-N 1 1 421.589 4.266 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578322 890508245 /nfs/dbraw/zinc/50/82/45/890508245.db2.gz ABDMSFXPSMYLHW-QFBILLFUSA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)sc2c1CCCCC2 ZINC000475737714 890678950 /nfs/dbraw/zinc/67/89/50/890678950.db2.gz DXUYUMUNWMICNJ-JOCHJYFZSA-N 1 1 401.576 4.110 20 30 HIEDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000475739248 890681017 /nfs/dbraw/zinc/68/10/17/890681017.db2.gz LSYCFGQJLIFCIB-UHFFFAOYSA-N 1 1 402.589 4.368 20 30 HIEDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000475739248 890681022 /nfs/dbraw/zinc/68/10/22/890681022.db2.gz LSYCFGQJLIFCIB-UHFFFAOYSA-N 1 1 402.589 4.368 20 30 HIEDMO CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476043767 890974700 /nfs/dbraw/zinc/97/47/00/890974700.db2.gz SJAXBJRQHJQNMQ-JOCHJYFZSA-N 1 1 419.573 4.388 20 30 HIEDMO N#Cc1ccc(CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839499 913562059 /nfs/dbraw/zinc/56/20/59/913562059.db2.gz BQOPSMROFKGGET-QFIPXVFZSA-N 1 1 409.480 4.207 20 30 HIEDMO CC(C)n1ncc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000476600586 891534645 /nfs/dbraw/zinc/53/46/45/891534645.db2.gz SAHBQLQVRCDUJV-UHFFFAOYSA-N 1 1 416.529 4.229 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000476865819 891830463 /nfs/dbraw/zinc/83/04/63/891830463.db2.gz CYUCOXQWHJWJDJ-UHFFFAOYSA-N 1 1 412.453 4.139 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044649 891970084 /nfs/dbraw/zinc/97/00/84/891970084.db2.gz CNOYZTRHBKLOPN-UQBPGWFLSA-N 1 1 420.557 4.083 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477050693 891981258 /nfs/dbraw/zinc/98/12/58/891981258.db2.gz NJYISIQCGRBUFU-XMMPIXPASA-N 1 1 412.578 4.313 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477050693 891981274 /nfs/dbraw/zinc/98/12/74/891981274.db2.gz NJYISIQCGRBUFU-XMMPIXPASA-N 1 1 412.578 4.313 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000477288294 892246854 /nfs/dbraw/zinc/24/68/54/892246854.db2.gz DPUFXZFLOWNBRI-QILAJZQNSA-N 1 1 414.553 4.451 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000477435017 892386384 /nfs/dbraw/zinc/38/63/84/892386384.db2.gz GCPUFQRRVXBKKA-UHFFFAOYSA-N 1 1 405.498 4.450 20 30 HIEDMO C=C(C)[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477756003 892847029 /nfs/dbraw/zinc/84/70/29/892847029.db2.gz RPERXHHLRWRVRQ-HSZRJFAPSA-N 1 1 424.495 4.371 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000477908582 892981843 /nfs/dbraw/zinc/98/18/43/892981843.db2.gz VRXOYIHKCHRHAG-FQEVSTJZSA-N 1 1 404.558 4.173 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000477992683 893091622 /nfs/dbraw/zinc/09/16/22/893091622.db2.gz MYXVMGYIXJBCSN-FFZOFVMBSA-N 1 1 401.576 4.156 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000477992683 893091643 /nfs/dbraw/zinc/09/16/43/893091643.db2.gz MYXVMGYIXJBCSN-FFZOFVMBSA-N 1 1 401.576 4.156 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000505001459 913746626 /nfs/dbraw/zinc/74/66/26/913746626.db2.gz UBSKRRJBVQGLJM-FQEVSTJZSA-N 1 1 409.530 4.218 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000505001459 913746638 /nfs/dbraw/zinc/74/66/38/913746638.db2.gz UBSKRRJBVQGLJM-FQEVSTJZSA-N 1 1 409.530 4.218 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000478804873 894078057 /nfs/dbraw/zinc/07/80/57/894078057.db2.gz HISWQURALYFZBI-IBGZPJMESA-N 1 1 402.542 4.279 20 30 HIEDMO N#CC1(NC(=O)c2csc(-c3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479218152 894482611 /nfs/dbraw/zinc/48/26/11/894482611.db2.gz PQNKHTASFGLUPK-UHFFFAOYSA-N 1 1 402.523 4.098 20 30 HIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cc(C#N)n(C)c1)CC2 ZINC000480267503 895675565 /nfs/dbraw/zinc/67/55/65/895675565.db2.gz SIIUELAAPMFJFA-UHFFFAOYSA-N 1 1 416.525 4.084 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174518 896509476 /nfs/dbraw/zinc/50/94/76/896509476.db2.gz HSIYBPWJQMOZHS-ZJSXRUAMSA-N 1 1 418.585 4.050 20 30 HIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185843 896532809 /nfs/dbraw/zinc/53/28/09/896532809.db2.gz UWVGAVZGJMKEGG-JLHGSKIFSA-N 1 1 410.949 4.039 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185843 896532819 /nfs/dbraw/zinc/53/28/19/896532819.db2.gz UWVGAVZGJMKEGG-JLHGSKIFSA-N 1 1 410.949 4.039 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(F)c(F)c1 ZINC000481573018 896951842 /nfs/dbraw/zinc/95/18/42/896951842.db2.gz SEMOAONPOJNLQX-VLIAUNLRSA-N 1 1 402.441 4.294 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000481583136 896963245 /nfs/dbraw/zinc/96/32/45/896963245.db2.gz AGXLLGXFUVVFQE-FQEVSTJZSA-N 1 1 410.848 4.481 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(Cc1ccc(OC)cc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481605000 896984662 /nfs/dbraw/zinc/98/46/62/896984662.db2.gz BCCQVXPNRVHJGG-HSZRJFAPSA-N 1 1 400.469 4.371 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)c1 ZINC000481620070 897002489 /nfs/dbraw/zinc/00/24/89/897002489.db2.gz CIHLHJBVRCWVRY-VQTJNVASSA-N 1 1 408.477 4.025 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000481887705 897262089 /nfs/dbraw/zinc/26/20/89/897262089.db2.gz MABHXORXUZYREB-FYYLOGMGSA-N 1 1 405.567 4.429 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000481926850 897310645 /nfs/dbraw/zinc/31/06/45/897310645.db2.gz WDDCDWVICGXGNK-UNMCSNQZSA-N 1 1 421.545 4.223 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 ZINC000481931956 897316310 /nfs/dbraw/zinc/31/63/10/897316310.db2.gz KNURWSPHXNKQNZ-UHFFFAOYSA-N 1 1 412.493 4.211 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000482098630 897544082 /nfs/dbraw/zinc/54/40/82/897544082.db2.gz LJFHOPJBUDURLE-UGKGYDQZSA-N 1 1 405.542 4.227 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c(C#N)c1C ZINC000482878940 898492237 /nfs/dbraw/zinc/49/22/37/898492237.db2.gz VWMCWOZYTDOGHM-HNNXBMFYSA-N 1 1 405.502 4.090 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@@H]21 ZINC000483040766 898709653 /nfs/dbraw/zinc/70/96/53/898709653.db2.gz AFRSXMRYRNNMOC-URXFXBBRSA-N 1 1 418.541 4.280 20 30 HIEDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[NH2+]2)cc1 ZINC000505572177 914278656 /nfs/dbraw/zinc/27/86/56/914278656.db2.gz HWIJBLWIGMHPKQ-JOCHJYFZSA-N 1 1 415.493 4.079 20 30 HIEDMO OC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000483088546 898773703 /nfs/dbraw/zinc/77/37/03/898773703.db2.gz LUNYBSXJTOYOAA-INIZCTEOSA-N 1 1 403.322 4.279 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476651 899121798 /nfs/dbraw/zinc/12/17/98/899121798.db2.gz ALDFLKGPGRICJW-XZOQPEGZSA-N 1 1 413.525 4.095 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000483568095 899222561 /nfs/dbraw/zinc/22/25/61/899222561.db2.gz ZIJICUPEFHNBLS-UNMCSNQZSA-N 1 1 405.567 4.407 20 30 HIEDMO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(C#N)c(F)c1 ZINC000483588893 899240150 /nfs/dbraw/zinc/24/01/50/899240150.db2.gz FMGFXIXVZVKXJF-UHFFFAOYSA-N 1 1 409.486 4.130 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1I)CC1CCCCC1 ZINC000484668332 900109913 /nfs/dbraw/zinc/10/99/13/900109913.db2.gz GQVMYGMSYCJNMV-UHFFFAOYSA-N 1 1 412.315 4.298 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505788639 914453755 /nfs/dbraw/zinc/45/37/55/914453755.db2.gz BYXPVBPGWBNGLX-BVZFJXPGSA-N 1 1 421.541 4.226 20 30 HIEDMO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000485349735 900643351 /nfs/dbraw/zinc/64/33/51/900643351.db2.gz RZPJSJXXHMEOQE-LSDHHAIUSA-N 1 1 408.449 4.270 20 30 HIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000485771174 901027575 /nfs/dbraw/zinc/02/75/75/901027575.db2.gz PWCPNZIQFJUCQC-NSISKUIASA-N 1 1 403.592 4.402 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1OC ZINC000486447119 901605402 /nfs/dbraw/zinc/60/54/02/901605402.db2.gz DSPBYDHJAMLSMU-NTKDMRAZSA-N 1 1 409.530 4.149 20 30 HIEDMO N#Cc1cccc(OCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 ZINC000486832929 901884392 /nfs/dbraw/zinc/88/43/92/901884392.db2.gz IOIYJUZOVIZFBQ-HYBUGGRVSA-N 1 1 400.482 4.041 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000487400655 902184352 /nfs/dbraw/zinc/18/43/52/902184352.db2.gz DVPRRVCRSXCDNH-VQIMIIECSA-N 1 1 420.582 4.193 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000488043506 902559974 /nfs/dbraw/zinc/55/99/74/902559974.db2.gz QHXKLSFYDMNPQZ-SFHVURJKSA-N 1 1 421.566 4.035 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503492 902859172 /nfs/dbraw/zinc/85/91/72/902859172.db2.gz OQVMPSNXKFDLMR-SCLBCKFNSA-N 1 1 419.859 4.265 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000489817290 903611327 /nfs/dbraw/zinc/61/13/27/903611327.db2.gz GEXCRYCXTKXVEN-AKAGGGOCSA-N 1 1 416.569 4.378 20 30 HIEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908267 903666579 /nfs/dbraw/zinc/66/65/79/903666579.db2.gz FLVNCAVNUOCBFF-AXHZCLLHSA-N 1 1 402.542 4.097 20 30 HIEDMO C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000489916967 903672574 /nfs/dbraw/zinc/67/25/74/903672574.db2.gz QSGRXSONLPRGOI-LJQANCHMSA-N 1 1 402.542 4.241 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289111 903877355 /nfs/dbraw/zinc/87/73/55/903877355.db2.gz PKDKFWRFHBIVIP-UNMCSNQZSA-N 1 1 415.509 4.269 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289111 903877359 /nfs/dbraw/zinc/87/73/59/903877359.db2.gz PKDKFWRFHBIVIP-UNMCSNQZSA-N 1 1 415.509 4.269 20 30 HIEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000491195320 904477290 /nfs/dbraw/zinc/47/72/90/904477290.db2.gz UPLVDQJIDMDOFY-OAQYLSRUSA-N 1 1 402.498 4.011 20 30 HIEDMO Cn1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000491206301 904482545 /nfs/dbraw/zinc/48/25/45/904482545.db2.gz SKOCTSUUKLVNNK-QHCPKHFHSA-N 1 1 404.489 4.279 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000491247924 904501514 /nfs/dbraw/zinc/50/15/14/904501514.db2.gz HBAOKBWXMVKJQE-NRFANRHFSA-N 1 1 400.526 4.422 20 30 HIEDMO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000506139264 914819689 /nfs/dbraw/zinc/81/96/89/914819689.db2.gz NQNHTPXLBWRSNG-UHFFFAOYSA-N 1 1 417.509 4.301 20 30 HIEDMO COc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1OCCCC#N ZINC000506152993 914827047 /nfs/dbraw/zinc/82/70/47/914827047.db2.gz KECZTONDUBKWPB-UHFFFAOYSA-N 1 1 420.513 4.270 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492515638 904863159 /nfs/dbraw/zinc/86/31/59/904863159.db2.gz OZPPJGGYMLEZQR-AWEZNQCLSA-N 1 1 415.946 4.164 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000492628926 904879406 /nfs/dbraw/zinc/87/94/06/904879406.db2.gz IHFMDFHKSCZZQJ-UHFFFAOYSA-N 1 1 424.140 4.117 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731572 904896795 /nfs/dbraw/zinc/89/67/95/904896795.db2.gz WVENMIZLMDYGHE-UWJYYQICSA-N 1 1 418.472 4.214 20 30 HIEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000506248072 914862509 /nfs/dbraw/zinc/86/25/09/914862509.db2.gz MUKHBXMWRLCACC-UHFFFAOYSA-N 1 1 423.860 4.097 20 30 HIEDMO C=CCNC(=O)c1ccc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000492994698 904979250 /nfs/dbraw/zinc/97/92/50/904979250.db2.gz PMWOORGJAWQGSH-SFHVURJKSA-N 1 1 402.901 4.039 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)CCC(F)(F)F ZINC000494578323 905846472 /nfs/dbraw/zinc/84/64/72/905846472.db2.gz HFLNLBIWIUDGGP-CYBMUJFWSA-N 1 1 421.332 4.142 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714252 905916632 /nfs/dbraw/zinc/91/66/32/905916632.db2.gz WKAUNIMHAPAYES-QGZVFWFLSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008245 906169702 /nfs/dbraw/zinc/16/97/02/906169702.db2.gz XCHURQNCMYBWKW-GHDARCQNSA-N 1 1 424.589 4.009 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000495374522 906413332 /nfs/dbraw/zinc/41/33/32/906413332.db2.gz QWJXNKRWNHXBSK-UHFFFAOYSA-N 1 1 409.433 4.271 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000495374522 906413334 /nfs/dbraw/zinc/41/33/34/906413334.db2.gz QWJXNKRWNHXBSK-UHFFFAOYSA-N 1 1 409.433 4.271 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)n1 ZINC000495465811 906467316 /nfs/dbraw/zinc/46/73/16/906467316.db2.gz TUCSIOMIFQMWMY-GOSISDBHSA-N 1 1 400.573 4.333 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274925 906646744 /nfs/dbraw/zinc/64/67/44/906646744.db2.gz ZXPOAPZMOIYTHB-AZUAARDMSA-N 1 1 412.331 4.042 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)c1 ZINC000512611719 921260213 /nfs/dbraw/zinc/26/02/13/921260213.db2.gz BBSBCCXAUYQTRK-UHFFFAOYSA-N 1 1 403.404 4.308 20 30 HIEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632989 921268616 /nfs/dbraw/zinc/26/86/16/921268616.db2.gz KERPUAOZCKDNBV-FQEVSTJZSA-N 1 1 404.514 4.210 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497421847 906895985 /nfs/dbraw/zinc/89/59/85/906895985.db2.gz HVNJJMXDYJYPSU-LJQANCHMSA-N 1 1 413.562 4.144 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593379 907075174 /nfs/dbraw/zinc/07/51/74/907075174.db2.gz AUYCSISQESUVGU-PGRDOPGGSA-N 1 1 419.525 4.076 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)c(F)c1 ZINC000512798241 921313248 /nfs/dbraw/zinc/31/32/48/921313248.db2.gz UKPNCVXQVSQSDS-UHFFFAOYSA-N 1 1 402.853 4.165 20 30 HIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000498127281 907645248 /nfs/dbraw/zinc/64/52/48/907645248.db2.gz YEXOPAARBPHGHN-UHFFFAOYSA-N 1 1 424.508 4.030 20 30 HIEDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512844734 921348043 /nfs/dbraw/zinc/34/80/43/921348043.db2.gz OVZIHPSBCLUZJM-ZWKOTPCHSA-N 1 1 409.505 4.115 20 30 HIEDMO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512845972 921349697 /nfs/dbraw/zinc/34/96/97/921349697.db2.gz WJVQYGBWKWUSBE-QHCPKHFHSA-N 1 1 409.505 4.150 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498464159 907930728 /nfs/dbraw/zinc/93/07/28/907930728.db2.gz YBCSUQRCHMUWFE-FQEVSTJZSA-N 1 1 405.542 4.379 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000498503665 907975527 /nfs/dbraw/zinc/97/55/27/907975527.db2.gz CZTHAASEFFPREF-UHFFFAOYSA-N 1 1 406.530 4.330 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498708461 908135037 /nfs/dbraw/zinc/13/50/37/908135037.db2.gz UYRFIUDNBMGVBE-RDPSFJRHSA-N 1 1 404.558 4.389 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1C ZINC000499564678 908841914 /nfs/dbraw/zinc/84/19/14/908841914.db2.gz SXOOGHHVCJBNPF-RBUKOAKNSA-N 1 1 406.530 4.392 20 30 HIEDMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499576905 908845382 /nfs/dbraw/zinc/84/53/82/908845382.db2.gz RPAAAQSSANZKPU-VQIMIIECSA-N 1 1 407.352 4.311 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000499592621 908849954 /nfs/dbraw/zinc/84/99/54/908849954.db2.gz PWLMHRLZZFCAJV-MOPGFXCFSA-N 1 1 406.530 4.278 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618055 908856825 /nfs/dbraw/zinc/85/68/25/908856825.db2.gz INNKLGLGUZWOMR-WOJBJXKFSA-N 1 1 404.432 4.180 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037612 921496184 /nfs/dbraw/zinc/49/61/84/921496184.db2.gz UIHWJGUCAQYNJZ-NRFANRHFSA-N 1 1 408.542 4.292 20 30 HIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501048351 910258678 /nfs/dbraw/zinc/25/86/78/910258678.db2.gz GMPVKFYSTJIWCW-IIBYNOLFSA-N 1 1 409.331 4.264 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1OCC ZINC000513116164 921562033 /nfs/dbraw/zinc/56/20/33/921562033.db2.gz ADGRLPOQPNRINP-KRWDZBQOSA-N 1 1 420.351 4.446 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1OCC ZINC000513116164 921562041 /nfs/dbraw/zinc/56/20/41/921562041.db2.gz ADGRLPOQPNRINP-KRWDZBQOSA-N 1 1 420.351 4.446 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1OC ZINC000513127165 921571758 /nfs/dbraw/zinc/57/17/58/921571758.db2.gz DPDHPHRSQLLPCO-MRXNPFEDSA-N 1 1 406.324 4.056 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1OC ZINC000513127165 921571762 /nfs/dbraw/zinc/57/17/62/921571762.db2.gz DPDHPHRSQLLPCO-MRXNPFEDSA-N 1 1 406.324 4.056 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501377156 910505322 /nfs/dbraw/zinc/50/53/22/910505322.db2.gz QMJUQNRKAFOUEJ-QPPBQGQZSA-N 1 1 423.605 4.462 20 30 HIEDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000513144805 921582302 /nfs/dbraw/zinc/58/23/02/921582302.db2.gz NUVSWVIUDWWRGT-IBGZPJMESA-N 1 1 405.267 4.028 20 30 HIEDMO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501499914 910611106 /nfs/dbraw/zinc/61/11/06/910611106.db2.gz HYVJHEXFKSJLAR-UHFFFAOYSA-N 1 1 406.313 4.251 20 30 HIEDMO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501499914 910611109 /nfs/dbraw/zinc/61/11/09/910611109.db2.gz HYVJHEXFKSJLAR-UHFFFAOYSA-N 1 1 406.313 4.251 20 30 HIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695835 910765964 /nfs/dbraw/zinc/76/59/64/910765964.db2.gz IHHBYMNEKGGTRF-FQEVSTJZSA-N 1 1 408.546 4.483 20 30 HIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765080 910820685 /nfs/dbraw/zinc/82/06/85/910820685.db2.gz AHJWPPNUHJFGIT-HXUWFJFHSA-N 1 1 408.546 4.483 20 30 HIEDMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502162816 911082448 /nfs/dbraw/zinc/08/24/48/911082448.db2.gz APYJUHSZERNVEQ-MRXNPFEDSA-N 1 1 424.932 4.198 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000502188787 911123692 /nfs/dbraw/zinc/12/36/92/911123692.db2.gz WFWLDPCKDPHITC-UHFFFAOYSA-N 1 1 421.888 4.112 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC000502308595 911272774 /nfs/dbraw/zinc/27/27/74/911272774.db2.gz ZRHDXNUTDXMDKG-IBGZPJMESA-N 1 1 410.949 4.423 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC000502308595 911272797 /nfs/dbraw/zinc/27/27/97/911272797.db2.gz ZRHDXNUTDXMDKG-IBGZPJMESA-N 1 1 410.949 4.423 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502322845 911300879 /nfs/dbraw/zinc/30/08/79/911300879.db2.gz ZBYSPJDIEZVLRY-UHFFFAOYSA-N 1 1 415.472 4.190 20 30 HIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1F ZINC000502359555 911343736 /nfs/dbraw/zinc/34/37/36/911343736.db2.gz IFIAKANDUOPYEY-LJQANCHMSA-N 1 1 403.461 4.052 20 30 HIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1F ZINC000502359555 911343760 /nfs/dbraw/zinc/34/37/60/911343760.db2.gz IFIAKANDUOPYEY-LJQANCHMSA-N 1 1 403.461 4.052 20 30 HIEDMO N#Cc1cnc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000502464180 911451541 /nfs/dbraw/zinc/45/15/41/911451541.db2.gz RYZJVPLPBQPEOH-UHFFFAOYSA-N 1 1 414.896 4.134 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919666 911905741 /nfs/dbraw/zinc/90/57/41/911905741.db2.gz PFDZLYIPSQYJLT-MRXNPFEDSA-N 1 1 412.921 4.279 20 30 HIEDMO N#Cc1c(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn2ccccc12 ZINC000506453708 915053273 /nfs/dbraw/zinc/05/32/73/915053273.db2.gz IMULAVKGUXORID-UHFFFAOYSA-N 1 1 410.880 4.454 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092245 /nfs/dbraw/zinc/09/22/45/915092245.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 1 1 414.619 4.023 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Br)c1 ZINC000506890569 915684428 /nfs/dbraw/zinc/68/44/28/915684428.db2.gz CMWVBOMRUCGASE-UHFFFAOYSA-N 1 1 404.333 4.135 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Br)c1 ZINC000506890569 915684435 /nfs/dbraw/zinc/68/44/35/915684435.db2.gz CMWVBOMRUCGASE-UHFFFAOYSA-N 1 1 404.333 4.135 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000507096294 915867564 /nfs/dbraw/zinc/86/75/64/915867564.db2.gz CKEXVABGOHZPKR-UHFFFAOYSA-N 1 1 422.569 4.213 20 30 HIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000507140289 915886109 /nfs/dbraw/zinc/88/61/09/915886109.db2.gz BZSVVHSIYPGVPH-LJQANCHMSA-N 1 1 423.557 4.223 20 30 HIEDMO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000507288554 916055946 /nfs/dbraw/zinc/05/59/46/916055946.db2.gz AEXRYDXYTJZHRN-UHFFFAOYSA-N 1 1 403.935 4.041 20 30 HIEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1)CC1CC1 ZINC000507395724 916157541 /nfs/dbraw/zinc/15/75/41/916157541.db2.gz BIJLYYSXGYRCMR-UHFFFAOYSA-N 1 1 419.573 4.027 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000507698921 916478378 /nfs/dbraw/zinc/47/83/78/916478378.db2.gz BCDZTNKSALPAGY-JOCHJYFZSA-N 1 1 411.933 4.268 20 30 HIEDMO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000507698921 916478397 /nfs/dbraw/zinc/47/83/97/916478397.db2.gz BCDZTNKSALPAGY-JOCHJYFZSA-N 1 1 411.933 4.268 20 30 HIEDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832981 916635968 /nfs/dbraw/zinc/63/59/68/916635968.db2.gz FLNVVHVORPEXJY-SFHVURJKSA-N 1 1 417.509 4.367 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998154 916839843 /nfs/dbraw/zinc/83/98/43/916839843.db2.gz KEEUKXICLJYERS-FQEVSTJZSA-N 1 1 409.530 4.204 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000508243645 917060755 /nfs/dbraw/zinc/06/07/55/917060755.db2.gz RVKYPEQDBIFMED-MOPGFXCFSA-N 1 1 406.486 4.107 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431390 917219551 /nfs/dbraw/zinc/21/95/51/917219551.db2.gz QPSJUXDXRNKXLP-IEBWSBKVSA-N 1 1 422.495 4.424 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508476353 917260560 /nfs/dbraw/zinc/26/05/60/917260560.db2.gz CNVQXQIDEHSUHP-DHIUTWEWSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000508498894 917283969 /nfs/dbraw/zinc/28/39/69/917283969.db2.gz WBWCVMPWIJHFTR-UHFFFAOYSA-N 1 1 424.508 4.071 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508499144 917284170 /nfs/dbraw/zinc/28/41/70/917284170.db2.gz XNCHRZORDWXURT-ILWGZMRPSA-N 1 1 409.578 4.053 20 30 HIEDMO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508504735 917289726 /nfs/dbraw/zinc/28/97/26/917289726.db2.gz AJZLYZBNFRTTGJ-LAUBAEHRSA-N 1 1 421.570 4.085 20 30 HIEDMO CC[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605127 917374579 /nfs/dbraw/zinc/37/45/79/917374579.db2.gz PVSRSNZTMZKKJR-IBGZPJMESA-N 1 1 421.541 4.151 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508798443 917553795 /nfs/dbraw/zinc/55/37/95/917553795.db2.gz SSAUFOFHWNEBOO-PMACEKPBSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508873373 917626746 /nfs/dbraw/zinc/62/67/46/917626746.db2.gz MRDKZEUNWNFMMW-GHTZIAJQSA-N 1 1 411.981 4.161 20 30 HIEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508880979 917634057 /nfs/dbraw/zinc/63/40/57/917634057.db2.gz NZMAJFYQBPWWET-UHFFFAOYSA-N 1 1 416.573 4.183 20 30 HIEDMO C=CCn1c(C)nnc1N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000508944550 917702177 /nfs/dbraw/zinc/70/21/77/917702177.db2.gz FRBHYIHFIFUFIR-JOCHJYFZSA-N 1 1 407.949 4.338 20 30 HIEDMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000508981173 917735542 /nfs/dbraw/zinc/73/55/42/917735542.db2.gz XXTHUNZWKLJXKD-KRWDZBQOSA-N 1 1 404.352 4.187 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000509013245 917765382 /nfs/dbraw/zinc/76/53/82/917765382.db2.gz SXUGIENWLAYETN-KRWDZBQOSA-N 1 1 409.559 4.084 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500972 918146973 /nfs/dbraw/zinc/14/69/73/918146973.db2.gz BXWMVAKRXIVCJX-MAUKXSAKSA-N 1 1 406.555 4.118 20 30 HIEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000509548752 918199513 /nfs/dbraw/zinc/19/95/13/918199513.db2.gz JIYRDSQCNWCJNA-JOCHJYFZSA-N 1 1 408.546 4.319 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000509599246 918250433 /nfs/dbraw/zinc/25/04/33/918250433.db2.gz IGRVIVCGLFQWCV-OXJNMPFZSA-N 1 1 405.468 4.220 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000509930956 918530790 /nfs/dbraw/zinc/53/07/90/918530790.db2.gz NMLJZEDMPRJLCM-UHFFFAOYSA-N 1 1 420.557 4.305 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510195811 918744941 /nfs/dbraw/zinc/74/49/41/918744941.db2.gz VRKYHIFCLJESQO-AUSIDOKSSA-N 1 1 407.583 4.208 20 30 HIEDMO C=CCOc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000510209239 918756575 /nfs/dbraw/zinc/75/65/75/918756575.db2.gz GKOSNZOIIPSOCG-CTNGQTDRSA-N 1 1 408.542 4.291 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)c2)c1 ZINC000510519466 918964775 /nfs/dbraw/zinc/96/47/75/918964775.db2.gz IFTRSZGENRWGBA-VWLOTQADSA-N 1 1 411.505 4.200 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)c2)c1 ZINC000510519466 918964789 /nfs/dbraw/zinc/96/47/89/918964789.db2.gz IFTRSZGENRWGBA-VWLOTQADSA-N 1 1 411.505 4.200 20 30 HIEDMO COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1Br ZINC000510518869 918965021 /nfs/dbraw/zinc/96/50/21/918965021.db2.gz RKTGUWUQDIHVML-UHFFFAOYSA-N 1 1 401.304 4.373 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000510531463 918976943 /nfs/dbraw/zinc/97/69/43/918976943.db2.gz CFFBWHWLTNKCJK-OAHLLOKOSA-N 1 1 408.477 4.071 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000510531463 918976952 /nfs/dbraw/zinc/97/69/52/918976952.db2.gz CFFBWHWLTNKCJK-OAHLLOKOSA-N 1 1 408.477 4.071 20 30 HIEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1ccc(OC)cc1 ZINC000510628904 919071155 /nfs/dbraw/zinc/07/11/55/919071155.db2.gz KAPLXYQUQCVLMI-UHFFFAOYSA-N 1 1 419.525 4.445 20 30 HIEDMO CC(C)C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000510644573 919085736 /nfs/dbraw/zinc/08/57/36/919085736.db2.gz JEYRFKOANZUGST-OAQYLSRUSA-N 1 1 422.529 4.219 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000511266707 919864718 /nfs/dbraw/zinc/86/47/18/919864718.db2.gz GGGHTTHQMHTZKS-GOSISDBHSA-N 1 1 404.514 4.104 20 30 HIEDMO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511282648 919877431 /nfs/dbraw/zinc/87/74/31/919877431.db2.gz AVHIYSHMFNEWSN-MJGOQNOKSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511378916 919979284 /nfs/dbraw/zinc/97/92/84/919979284.db2.gz MZXFEFZZXCDMJZ-YLJYHZDGSA-N 1 1 404.514 4.128 20 30 HIEDMO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511423489 920038550 /nfs/dbraw/zinc/03/85/50/920038550.db2.gz NHNPLRSASPWGHV-USLGIFOWSA-N 1 1 424.589 4.200 20 30 HIEDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615006 920269359 /nfs/dbraw/zinc/26/93/59/920269359.db2.gz FWDNBQQGHGOZMW-NHCUHLMSSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615006 920269376 /nfs/dbraw/zinc/26/93/76/920269376.db2.gz FWDNBQQGHGOZMW-NHCUHLMSSA-N 1 1 400.567 4.046 20 30 HIEDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c(F)c(F)c1F ZINC000511832663 920539708 /nfs/dbraw/zinc/53/97/08/920539708.db2.gz QOOWPOXUORODDS-GFCCVEGCSA-N 1 1 420.328 4.266 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511840664 920552304 /nfs/dbraw/zinc/55/23/04/920552304.db2.gz AGHOOKHUYPFMEG-IBGZPJMESA-N 1 1 404.432 4.275 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512292562 921047906 /nfs/dbraw/zinc/04/79/06/921047906.db2.gz HPSMZWGDZFKPOJ-LJQANCHMSA-N 1 1 408.546 4.177 20 30 HIEDMO COc1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1OCCCC#N ZINC000513509289 921856783 /nfs/dbraw/zinc/85/67/83/921856783.db2.gz QPYHDJXMFYLDOS-UHFFFAOYSA-N 1 1 407.558 4.474 20 30 HIEDMO COc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1OCCCC#N ZINC000513509289 921856785 /nfs/dbraw/zinc/85/67/85/921856785.db2.gz QPYHDJXMFYLDOS-UHFFFAOYSA-N 1 1 407.558 4.474 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000513790021 922118842 /nfs/dbraw/zinc/11/88/42/922118842.db2.gz QVBZDDRHZBKWAN-OAHLLOKOSA-N 1 1 403.935 4.393 20 30 HIEDMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H](C)c3ccc(C#N)cc3)c2c1C ZINC000516827578 923907903 /nfs/dbraw/zinc/90/79/03/923907903.db2.gz CDCDIOXYXPGBDA-AWEZNQCLSA-N 1 1 423.542 4.283 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000517856768 926865847 /nfs/dbraw/zinc/86/58/47/926865847.db2.gz LGRGVWAAVPUKED-UHFFFAOYSA-N 1 1 414.525 4.001 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000517856768 926865851 /nfs/dbraw/zinc/86/58/51/926865851.db2.gz LGRGVWAAVPUKED-UHFFFAOYSA-N 1 1 414.525 4.001 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)CC2)cs1 ZINC000518321989 927186105 /nfs/dbraw/zinc/18/61/05/927186105.db2.gz CUYNIQPHSBCZOO-QGZVFWFLSA-N 1 1 423.369 4.351 20 30 HIEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753590 927478194 /nfs/dbraw/zinc/47/81/94/927478194.db2.gz UZGLJDNRFMLBEY-IBGZPJMESA-N 1 1 418.545 4.282 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753590 927478204 /nfs/dbraw/zinc/47/82/04/927478204.db2.gz UZGLJDNRFMLBEY-IBGZPJMESA-N 1 1 418.545 4.282 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000518848685 927552204 /nfs/dbraw/zinc/55/22/04/927552204.db2.gz UGYRYDREWOUAKR-UHFFFAOYSA-N 1 1 402.464 4.111 20 30 HIEDMO CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000518848685 927552212 /nfs/dbraw/zinc/55/22/12/927552212.db2.gz UGYRYDREWOUAKR-UHFFFAOYSA-N 1 1 402.464 4.111 20 30 HIEDMO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1C ZINC000519792502 928078415 /nfs/dbraw/zinc/07/84/15/928078415.db2.gz OTXRPIQNDOZBHA-UHFFFAOYSA-N 1 1 420.435 4.096 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000521093409 928989310 /nfs/dbraw/zinc/98/93/10/928989310.db2.gz GCSCJIJQDFPBLW-UHFFFAOYSA-N 1 1 418.291 4.374 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000521352738 929173840 /nfs/dbraw/zinc/17/38/40/929173840.db2.gz MSUYUIDWZJOPMV-SFHVURJKSA-N 1 1 423.369 4.351 20 30 HIEDMO C[N@@H+](CCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000524492968 929642052 /nfs/dbraw/zinc/64/20/52/929642052.db2.gz WRQUDALUIWECLT-UHFFFAOYSA-N 1 1 413.521 4.389 20 30 HIEDMO CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+]1CCCCC1 ZINC000524709633 929806989 /nfs/dbraw/zinc/80/69/89/929806989.db2.gz RMXFOIOHASDSLP-KRWDZBQOSA-N 1 1 415.588 4.151 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCCC[C@H]1CC(C)C ZINC000524908545 929884003 /nfs/dbraw/zinc/88/40/03/929884003.db2.gz YRTQXLCTWMTVJX-FQEVSTJZSA-N 1 1 402.583 4.242 20 30 HIEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525409576 930223265 /nfs/dbraw/zinc/22/32/65/930223265.db2.gz DOJMYTDVCYVSJH-NRSPTQNISA-N 1 1 403.954 4.112 20 30 HIEDMO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525858725 930469694 /nfs/dbraw/zinc/46/96/94/930469694.db2.gz YAEOQRGNUBKNJS-OVAXGASASA-N 1 1 404.558 4.143 20 30 HIEDMO COCC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000530628099 930777727 /nfs/dbraw/zinc/77/77/27/930777727.db2.gz PYYGPRVQNRNIKU-UHFFFAOYSA-N 1 1 408.477 4.137 20 30 HIEDMO Cc1ccc(-c2noc(CCC[N@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1F ZINC000530631927 930778733 /nfs/dbraw/zinc/77/87/33/930778733.db2.gz VQZGWJWOYSDHDO-UHFFFAOYSA-N 1 1 419.504 4.201 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670024 930793340 /nfs/dbraw/zinc/79/33/40/930793340.db2.gz YTZRZXYXYJZFHB-UGKGYDQZSA-N 1 1 415.459 4.319 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc2)c1 ZINC000532433625 931432274 /nfs/dbraw/zinc/43/22/74/931432274.db2.gz WQPMBAGVOHYULK-XZOQPEGZSA-N 1 1 420.513 4.115 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000532489365 931458050 /nfs/dbraw/zinc/45/80/50/931458050.db2.gz GQBNBTUWKSZTRA-QGZVFWFLSA-N 1 1 408.521 4.365 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000532747074 931621083 /nfs/dbraw/zinc/62/10/83/931621083.db2.gz QPGVUCXBQPJNAW-UHFFFAOYSA-N 1 1 407.562 4.280 20 30 HIEDMO C[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753262 931622273 /nfs/dbraw/zinc/62/22/73/931622273.db2.gz QDOWAVYSHXPURI-DEOSSOPVSA-N 1 1 422.532 4.420 20 30 HIEDMO C[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753262 931622279 /nfs/dbraw/zinc/62/22/79/931622279.db2.gz QDOWAVYSHXPURI-DEOSSOPVSA-N 1 1 422.532 4.420 20 30 HIEDMO C[C@@H](c1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000532891918 931682321 /nfs/dbraw/zinc/68/23/21/931682321.db2.gz RXENULMPXPUSLL-FQEVSTJZSA-N 1 1 415.541 4.469 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000532926079 931697211 /nfs/dbraw/zinc/69/72/11/931697211.db2.gz PTHIGSIKEIHAMG-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000532926079 931697212 /nfs/dbraw/zinc/69/72/12/931697212.db2.gz PTHIGSIKEIHAMG-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1C#N ZINC000532949763 931709095 /nfs/dbraw/zinc/70/90/95/931709095.db2.gz GMWYRTPXMNMLEE-UHFFFAOYSA-N 1 1 413.610 4.082 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532975848 931723134 /nfs/dbraw/zinc/72/31/34/931723134.db2.gz UPCZWDKEPPDHHL-OAQYLSRUSA-N 1 1 405.542 4.045 20 30 HIEDMO C[C@@H](C#N)C[N@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138852 931780166 /nfs/dbraw/zinc/78/01/66/931780166.db2.gz YFXQCZCPCPQNFW-KSFYIVLOSA-N 1 1 400.469 4.056 20 30 HIEDMO C[C@@H](C#N)C[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138852 931780169 /nfs/dbraw/zinc/78/01/69/931780169.db2.gz YFXQCZCPCPQNFW-KSFYIVLOSA-N 1 1 400.469 4.056 20 30 HIEDMO COc1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000533271638 931824818 /nfs/dbraw/zinc/82/48/18/931824818.db2.gz IVNDAMYAXPDTKF-UHFFFAOYSA-N 1 1 402.494 4.140 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364961 931848941 /nfs/dbraw/zinc/84/89/41/931848941.db2.gz PCNSGZZPHUNBPK-WMZOPIPTSA-N 1 1 414.937 4.159 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)sc2c1CCCC2 ZINC000533376157 931852483 /nfs/dbraw/zinc/85/24/83/931852483.db2.gz XOYXEUYOVLNZAG-UHFFFAOYSA-N 1 1 404.539 4.367 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3[nH]c4ccccc4c3C2)sc2c1CCCC2 ZINC000533376157 931852485 /nfs/dbraw/zinc/85/24/85/931852485.db2.gz XOYXEUYOVLNZAG-UHFFFAOYSA-N 1 1 404.539 4.367 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)c2ccccc21 ZINC000533434625 931868089 /nfs/dbraw/zinc/86/80/89/931868089.db2.gz YWTQJSGIGAAZKS-UHFFFAOYSA-N 1 1 415.537 4.461 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533480410 931879990 /nfs/dbraw/zinc/87/99/90/931879990.db2.gz XWCRLPDJOMZFLZ-KRWDZBQOSA-N 1 1 409.555 4.462 20 30 HIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606855 931921807 /nfs/dbraw/zinc/92/18/07/931921807.db2.gz OIFDIOJUHKOIGE-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606855 931921818 /nfs/dbraw/zinc/92/18/18/931921818.db2.gz OIFDIOJUHKOIGE-YWZLYKJASA-N 1 1 422.472 4.434 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)sc2c1CCCC2 ZINC000534356498 932391233 /nfs/dbraw/zinc/39/12/33/932391233.db2.gz GLQFCGJZJCRTKD-OAQYLSRUSA-N 1 1 423.582 4.100 20 30 HIEDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534378978 932406669 /nfs/dbraw/zinc/40/66/69/932406669.db2.gz MJLBYRMEVWUFJO-AWEZNQCLSA-N 1 1 402.589 4.155 20 30 HIEDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534378978 932406670 /nfs/dbraw/zinc/40/66/70/932406670.db2.gz MJLBYRMEVWUFJO-AWEZNQCLSA-N 1 1 402.589 4.155 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC=C(C(F)(F)F)CC2)c1C#N ZINC000534543842 932554475 /nfs/dbraw/zinc/55/44/75/932554475.db2.gz BOMQFCOPTDLVBV-UHFFFAOYSA-N 1 1 420.435 4.141 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000535211351 933017878 /nfs/dbraw/zinc/01/78/78/933017878.db2.gz KYMDCHWFPSQOBS-QGZVFWFLSA-N 1 1 421.566 4.323 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000535211351 933017883 /nfs/dbraw/zinc/01/78/83/933017883.db2.gz KYMDCHWFPSQOBS-QGZVFWFLSA-N 1 1 421.566 4.323 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535549502 933238035 /nfs/dbraw/zinc/23/80/35/933238035.db2.gz UGORFRJZAOWFKJ-VXKWHMMOSA-N 1 1 408.933 4.355 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535549502 933238041 /nfs/dbraw/zinc/23/80/41/933238041.db2.gz UGORFRJZAOWFKJ-VXKWHMMOSA-N 1 1 408.933 4.355 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675144 933323516 /nfs/dbraw/zinc/32/35/16/933323516.db2.gz GRLKTMGPHINKOD-ORAYPTAESA-N 1 1 404.848 4.304 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)sc2c1CCCCC2 ZINC000536002403 933562552 /nfs/dbraw/zinc/56/25/52/933562552.db2.gz KBJLPDZIZASZHT-UHFFFAOYSA-N 1 1 424.526 4.184 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)sc2c1CCCCC2 ZINC000536002403 933562567 /nfs/dbraw/zinc/56/25/67/933562567.db2.gz KBJLPDZIZASZHT-UHFFFAOYSA-N 1 1 424.526 4.184 20 30 HIEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000537295892 933702283 /nfs/dbraw/zinc/70/22/83/933702283.db2.gz OLGGKGICYQFNDN-MRXNPFEDSA-N 1 1 402.464 4.180 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CCOCC2)sc2c1CCCCC2 ZINC000537527761 938316380 /nfs/dbraw/zinc/31/63/80/938316380.db2.gz OPXTVLDPXPCRFZ-IBGZPJMESA-N 1 1 401.576 4.108 20 30 HIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000537621483 938336733 /nfs/dbraw/zinc/33/67/33/938336733.db2.gz SNHQVRHCDBCEOT-HXUWFJFHSA-N 1 1 403.320 4.297 20 30 HIEDMO CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628132 938338859 /nfs/dbraw/zinc/33/88/59/938338859.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 1 1 413.569 4.418 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000537628132 938338880 /nfs/dbraw/zinc/33/88/80/938338880.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 1 1 413.569 4.418 20 30 HIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000537628132 938338884 /nfs/dbraw/zinc/33/88/84/938338884.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 1 1 413.569 4.418 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CCCCC2)cc1OC ZINC000537686699 938354400 /nfs/dbraw/zinc/35/44/00/938354400.db2.gz MFFRMUUGIFAOHK-UHFFFAOYSA-N 1 1 421.541 4.027 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000537852468 938390114 /nfs/dbraw/zinc/39/01/14/938390114.db2.gz BRXSUZPCKVRNJA-UHFFFAOYSA-N 1 1 402.498 4.094 20 30 HIEDMO C[NH+]1CCC(C#N)(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1 ZINC000537901935 938405448 /nfs/dbraw/zinc/40/54/48/938405448.db2.gz RSHWAKUETWFAMV-UHFFFAOYSA-N 1 1 423.900 4.383 20 30 HIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000538467415 938628754 /nfs/dbraw/zinc/62/87/54/938628754.db2.gz FFTRWPFSVDJCES-FQEVSTJZSA-N 1 1 401.432 4.200 20 30 HIEDMO Cc1cnc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)s1 ZINC000538737762 938697465 /nfs/dbraw/zinc/69/74/65/938697465.db2.gz BHSYDVAIEYCWRF-UHFFFAOYSA-N 1 1 404.539 4.224 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760686 938704210 /nfs/dbraw/zinc/70/42/10/938704210.db2.gz FETDWSDQMHXYHA-LJQANCHMSA-N 1 1 402.502 4.104 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c1C#N ZINC000538953174 938747540 /nfs/dbraw/zinc/74/75/40/938747540.db2.gz BUAVKHCMLBZSQK-GOSISDBHSA-N 1 1 422.573 4.303 20 30 HIEDMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000539278786 938832374 /nfs/dbraw/zinc/83/23/74/938832374.db2.gz HDWOIAIHJLWFOB-TZMCWYRMSA-N 1 1 400.338 4.210 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000539882142 938965172 /nfs/dbraw/zinc/96/51/72/938965172.db2.gz LKRXHYUPAUVMPA-FQEVSTJZSA-N 1 1 421.932 4.101 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000563639367 945229219 /nfs/dbraw/zinc/22/92/19/945229219.db2.gz AGSSANUHWQAJFM-SFHVURJKSA-N 1 1 416.997 4.199 20 30 HIEDMO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000540455914 939257587 /nfs/dbraw/zinc/25/75/87/939257587.db2.gz GBOSNVZJCNPHJP-QHCPKHFHSA-N 1 1 409.599 4.471 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000540579018 939310304 /nfs/dbraw/zinc/31/03/04/939310304.db2.gz QNZDKXLTPUUFCN-NQIIRXRSSA-N 1 1 408.571 4.008 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000540579018 939310308 /nfs/dbraw/zinc/31/03/08/939310308.db2.gz QNZDKXLTPUUFCN-NQIIRXRSSA-N 1 1 408.571 4.008 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540741294 939355036 /nfs/dbraw/zinc/35/50/36/939355036.db2.gz HTHOAWJPZKALQY-UWJYYQICSA-N 1 1 411.908 4.457 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104121 939461363 /nfs/dbraw/zinc/46/13/63/939461363.db2.gz XFYWYCXYYDQSBL-PKOBYXMFSA-N 1 1 424.524 4.001 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158575 939480822 /nfs/dbraw/zinc/48/08/22/939480822.db2.gz HTNFBMWOHUBGGO-GLYQVZKVSA-N 1 1 402.542 4.412 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158577 939480847 /nfs/dbraw/zinc/48/08/47/939480847.db2.gz HTNFBMWOHUBGGO-NWVWQQAFSA-N 1 1 402.542 4.412 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC000541320584 939490781 /nfs/dbraw/zinc/49/07/81/939490781.db2.gz ZNBIYADCRPJBIC-DVECYGJZSA-N 1 1 421.541 4.424 20 30 HIEDMO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000541967337 939664786 /nfs/dbraw/zinc/66/47/86/939664786.db2.gz UQLPGYMILWEDQG-BJKOFHAPSA-N 1 1 407.558 4.150 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(Br)cc1 ZINC000542247702 939772098 /nfs/dbraw/zinc/77/20/98/939772098.db2.gz VLIMUSXXFMXMFL-OAHLLOKOSA-N 1 1 412.331 4.163 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(Br)cc1 ZINC000542247702 939772100 /nfs/dbraw/zinc/77/21/00/939772100.db2.gz VLIMUSXXFMXMFL-OAHLLOKOSA-N 1 1 412.331 4.163 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)C2CC2)cc1 ZINC000542246890 939772220 /nfs/dbraw/zinc/77/22/20/939772220.db2.gz MLFWDHAPFIYELS-UHFFFAOYSA-N 1 1 403.526 4.160 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)C2CC2)cc1 ZINC000542246890 939772225 /nfs/dbraw/zinc/77/22/25/939772225.db2.gz MLFWDHAPFIYELS-UHFFFAOYSA-N 1 1 403.526 4.160 20 30 HIEDMO Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000543463056 940071457 /nfs/dbraw/zinc/07/14/57/940071457.db2.gz OAYFOPNSHRKZIL-UHFFFAOYSA-N 1 1 410.905 4.197 20 30 HIEDMO C[N@H+]1CC[C@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025331 940302887 /nfs/dbraw/zinc/30/28/87/940302887.db2.gz KKSKGZQYMAASJT-QPUJVOFHSA-N 1 1 422.291 4.396 20 30 HIEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544467042 940444148 /nfs/dbraw/zinc/44/41/48/940444148.db2.gz PRYYRLMQFJDLLU-CQSZACIVSA-N 1 1 420.376 4.424 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000544486813 940453669 /nfs/dbraw/zinc/45/36/69/940453669.db2.gz QUGXLLGWBMMMGY-JKSUJKDBSA-N 1 1 414.575 4.435 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000544548515 940477141 /nfs/dbraw/zinc/47/71/41/940477141.db2.gz BQRDZZDEOPGLGK-IBGZPJMESA-N 1 1 412.578 4.311 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)Oc4ccccc4C#N)n3)cc2F)CC1 ZINC000545664555 940579555 /nfs/dbraw/zinc/57/95/55/940579555.db2.gz GYJDDUKUCPIDLI-INIZCTEOSA-N 1 1 421.476 4.029 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000546362708 940801852 /nfs/dbraw/zinc/80/18/52/940801852.db2.gz IXJMPSMEZFHAKJ-HXUWFJFHSA-N 1 1 420.488 4.171 20 30 HIEDMO N#Cc1c[nH]c(-c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000546380129 940806076 /nfs/dbraw/zinc/80/60/76/940806076.db2.gz DRKAQVRRIFKEQD-UHFFFAOYSA-N 1 1 411.465 4.103 20 30 HIEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549326467 941180205 /nfs/dbraw/zinc/18/02/05/941180205.db2.gz PNYNZQZDMKGROM-BGYRXZFFSA-N 1 1 415.626 4.228 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549690430 941204668 /nfs/dbraw/zinc/20/46/68/941204668.db2.gz CEGJKDINDDJJTO-UHFFFAOYSA-N 1 1 411.594 4.010 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825447 941208718 /nfs/dbraw/zinc/20/87/18/941208718.db2.gz QYXUADUJSDBZTF-GOSISDBHSA-N 1 1 403.452 4.413 20 30 HIEDMO CC(C)c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000549853965 941216278 /nfs/dbraw/zinc/21/62/78/941216278.db2.gz CIEZIHGSDHYILG-UHFFFAOYSA-N 1 1 401.514 4.049 20 30 HIEDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000552197154 941600177 /nfs/dbraw/zinc/60/01/77/941600177.db2.gz CVJPQNPGQSYVAH-MRXNPFEDSA-N 1 1 411.571 4.256 20 30 HIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000552305243 941628573 /nfs/dbraw/zinc/62/85/73/941628573.db2.gz CGTARALWIPTMGF-SFHVURJKSA-N 1 1 406.320 4.057 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000553496313 941896190 /nfs/dbraw/zinc/89/61/90/941896190.db2.gz WALVGFYQTXHRRV-UHFFFAOYSA-N 1 1 400.906 4.171 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000553496313 941896193 /nfs/dbraw/zinc/89/61/93/941896193.db2.gz WALVGFYQTXHRRV-UHFFFAOYSA-N 1 1 400.906 4.171 20 30 HIEDMO C[C@@H](C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553935955 942002489 /nfs/dbraw/zinc/00/24/89/942002489.db2.gz NMEDTJOBRKGNBC-OALUTQOASA-N 1 1 413.949 4.073 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000554247007 942076989 /nfs/dbraw/zinc/07/69/89/942076989.db2.gz IPQZBQKRTBNOTD-UHFFFAOYSA-N 1 1 407.558 4.305 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCCC(=O)OC(C)(C)C)sc2C1 ZINC000554889608 942310037 /nfs/dbraw/zinc/31/00/37/942310037.db2.gz XTROVZCIHFKYNK-HNNXBMFYSA-N 1 1 419.591 4.127 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000555244164 942444270 /nfs/dbraw/zinc/44/42/70/942444270.db2.gz CJXBOQAKMLVFGG-UHFFFAOYSA-N 1 1 423.586 4.125 20 30 HIEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000555263405 942452603 /nfs/dbraw/zinc/45/26/03/942452603.db2.gz AULOAIBOXYYJGB-FDDCHVKYSA-N 1 1 416.573 4.456 20 30 HIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000555683135 942699683 /nfs/dbraw/zinc/69/96/83/942699683.db2.gz BHIJIRIPCJJVHM-UHFFFAOYSA-N 1 1 424.508 4.030 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000557033238 942999528 /nfs/dbraw/zinc/99/95/28/942999528.db2.gz INWFIEGAXGJTSE-UKILVPOCSA-N 1 1 413.496 4.024 20 30 HIEDMO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)CC2)o1 ZINC000558977747 943780410 /nfs/dbraw/zinc/78/04/10/943780410.db2.gz FERQEQSMUDVAFC-KRWDZBQOSA-N 1 1 421.545 4.084 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559049133 943815554 /nfs/dbraw/zinc/81/55/54/943815554.db2.gz COVISRYFAUAYLI-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559049133 943815555 /nfs/dbraw/zinc/81/55/55/943815555.db2.gz COVISRYFAUAYLI-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000560611512 944273130 /nfs/dbraw/zinc/27/31/30/944273130.db2.gz FBMQMLWJOBKBMD-FQEVSTJZSA-N 1 1 422.363 4.414 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000560611512 944273137 /nfs/dbraw/zinc/27/31/37/944273137.db2.gz FBMQMLWJOBKBMD-FQEVSTJZSA-N 1 1 422.363 4.414 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(C)cc1 ZINC000561810753 944806982 /nfs/dbraw/zinc/80/69/82/944806982.db2.gz KYJOVQJEZBBIDU-UHFFFAOYSA-N 1 1 404.514 4.387 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)cc2F)CC1 ZINC000561886239 944837456 /nfs/dbraw/zinc/83/74/56/944837456.db2.gz XJZFLAWYVBDHJF-LJQANCHMSA-N 1 1 419.504 4.258 20 30 HIEDMO COc1ccc(Cn2nc(C)c(C[N@@H+](C)CCOCc3ccc(C#N)cc3)c2C)cc1 ZINC000561982068 944885203 /nfs/dbraw/zinc/88/52/03/944885203.db2.gz JLYNOYQRUUIHPE-UHFFFAOYSA-N 1 1 418.541 4.077 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000562047615 944910623 /nfs/dbraw/zinc/91/06/23/944910623.db2.gz YBVSXOKUAGHTPJ-MHECFPHRSA-N 1 1 421.566 4.347 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000562047615 944910631 /nfs/dbraw/zinc/91/06/31/944910631.db2.gz YBVSXOKUAGHTPJ-MHECFPHRSA-N 1 1 421.566 4.347 20 30 HIEDMO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000565333297 945813695 /nfs/dbraw/zinc/81/36/95/945813695.db2.gz XPTZCVDMUCHWHP-IBGZPJMESA-N 1 1 420.586 4.236 20 30 HIEDMO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565333307 945813713 /nfs/dbraw/zinc/81/37/13/945813713.db2.gz XPTZCVDMUCHWHP-LJQANCHMSA-N 1 1 420.586 4.236 20 30 HIEDMO C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](c2ccccc2)C1 ZINC000566944447 946184093 /nfs/dbraw/zinc/18/40/93/946184093.db2.gz OCAZUBFBIKZDKK-QHCPKHFHSA-N 1 1 413.481 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](c2ccccc2)C1 ZINC000566944447 946184145 /nfs/dbraw/zinc/18/41/45/946184145.db2.gz OCAZUBFBIKZDKK-QHCPKHFHSA-N 1 1 413.481 4.266 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000570326439 947202677 /nfs/dbraw/zinc/20/26/77/947202677.db2.gz TWAMWDMCEPTRFN-UHFFFAOYSA-N 1 1 413.237 4.334 20 30 HIEDMO C[C@H]1[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000570425939 947237536 /nfs/dbraw/zinc/23/75/36/947237536.db2.gz HIAOHPUPZTUMOT-FDDCHVKYSA-N 1 1 415.493 4.123 20 30 HIEDMO COc1ccc(OC(F)F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000570762081 947350063 /nfs/dbraw/zinc/35/00/63/947350063.db2.gz LJTCHOIQYOYAAS-UHFFFAOYSA-N 1 1 406.404 4.351 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573736285 948285552 /nfs/dbraw/zinc/28/55/52/948285552.db2.gz RDKLCTRUYWVFMY-QFIPXVFZSA-N 1 1 419.569 4.162 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(C#N)cc3Br)c2)CCO1 ZINC000573738275 948286298 /nfs/dbraw/zinc/28/62/98/948286298.db2.gz IWLWIMDFGAXKBQ-HNNXBMFYSA-N 1 1 400.320 4.154 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(C#N)cc3Br)c2)CCO1 ZINC000573738275 948286305 /nfs/dbraw/zinc/28/63/05/948286305.db2.gz IWLWIMDFGAXKBQ-HNNXBMFYSA-N 1 1 400.320 4.154 20 30 HIEDMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328606921 569418645 /nfs/dbraw/zinc/41/86/45/569418645.db2.gz TYPXNLORIHCVEX-ROMRWMGNSA-N 1 1 417.513 4.470 20 30 HIEDMO CCCc1cc(C#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164857222 720971497 /nfs/dbraw/zinc/97/14/97/720971497.db2.gz DRFRVBOJRKOVNG-HNNXBMFYSA-N 1 1 400.958 4.177 20 30 HIEDMO Cc1ccc2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164780962 721440352 /nfs/dbraw/zinc/44/03/52/721440352.db2.gz DDUSFELWUYFDEO-HUUCEWRRSA-N 1 1 409.946 4.093 20 30 HIEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903123 721555207 /nfs/dbraw/zinc/55/52/07/721555207.db2.gz ARZMSLQVLCPVMZ-ICSRJNTNSA-N 1 1 420.513 4.163 20 30 HIEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904739 721563597 /nfs/dbraw/zinc/56/35/97/721563597.db2.gz FLIPNTITNFIPSL-ICSRJNTNSA-N 1 1 422.891 4.241 20 30 HIEDMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1C#N ZINC001164913819 721736753 /nfs/dbraw/zinc/73/67/53/721736753.db2.gz YDUOLRVFFCTLGF-HXUWFJFHSA-N 1 1 417.891 4.048 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]21 ZINC001165019861 721811945 /nfs/dbraw/zinc/81/19/45/721811945.db2.gz BZYCYBUDEKVGRJ-WWPVKYPJSA-N 1 1 401.558 4.159 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000010036659 845615014 /nfs/dbraw/zinc/61/50/14/845615014.db2.gz RUQQLZATSATYQW-HSZRJFAPSA-N 1 1 407.514 4.178 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000010036659 845615017 /nfs/dbraw/zinc/61/50/17/845615017.db2.gz RUQQLZATSATYQW-HSZRJFAPSA-N 1 1 407.514 4.178 20 30 HIEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 ZINC000015143947 846013368 /nfs/dbraw/zinc/01/33/68/846013368.db2.gz MDRRRZZWJMLYSD-UHFFFAOYSA-N 1 1 416.525 4.104 20 30 HIEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 ZINC000015143947 846013376 /nfs/dbraw/zinc/01/33/76/846013376.db2.gz MDRRRZZWJMLYSD-UHFFFAOYSA-N 1 1 416.525 4.104 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000436332663 861637106 /nfs/dbraw/zinc/63/71/06/861637106.db2.gz PLLQEKCDZCJDJX-JRFVFWCSSA-N 1 1 405.517 4.336 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000436365378 861700533 /nfs/dbraw/zinc/70/05/33/861700533.db2.gz PFQPDDMZZGDOEC-QHCPKHFHSA-N 1 1 424.589 4.419 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(SC(F)F)cc3)CC2)cc1 ZINC000023451434 846704308 /nfs/dbraw/zinc/70/43/08/846704308.db2.gz NDMWZBZGQSSQDG-UHFFFAOYSA-N 1 1 401.482 4.221 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(SC(F)F)cc3)CC2)cc1 ZINC000023451434 846704313 /nfs/dbraw/zinc/70/43/13/846704313.db2.gz NDMWZBZGQSSQDG-UHFFFAOYSA-N 1 1 401.482 4.221 20 30 HIEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)CCCCC1 ZINC000025034839 846909076 /nfs/dbraw/zinc/90/90/76/846909076.db2.gz LYXJYIKTWZMLJL-UHFFFAOYSA-N 1 1 416.978 4.472 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1OC ZINC000025377607 846970536 /nfs/dbraw/zinc/97/05/36/846970536.db2.gz KBDZNGNOVBLZEY-FQEVSTJZSA-N 1 1 414.933 4.480 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000025440849 846978254 /nfs/dbraw/zinc/97/82/54/846978254.db2.gz RMFAKOJQVZBNQF-NRFANRHFSA-N 1 1 416.525 4.264 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1OC(F)(F)F ZINC000025534487 846994428 /nfs/dbraw/zinc/99/44/28/846994428.db2.gz NMNHBRJODFAORO-UHFFFAOYSA-N 1 1 423.460 4.468 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026206846 847102926 /nfs/dbraw/zinc/10/29/26/847102926.db2.gz HZQKFUYLNDFUBZ-GFCCVEGCSA-N 1 1 405.470 4.169 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026206846 847102929 /nfs/dbraw/zinc/10/29/29/847102929.db2.gz HZQKFUYLNDFUBZ-GFCCVEGCSA-N 1 1 405.470 4.169 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028899510 847474333 /nfs/dbraw/zinc/47/43/33/847474333.db2.gz OBIPCCDPTVPBNH-KRWDZBQOSA-N 1 1 410.949 4.314 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030958754 847801715 /nfs/dbraw/zinc/80/17/15/847801715.db2.gz DNXKFCDMWRDPJX-UHFFFAOYSA-N 1 1 410.562 4.207 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030958754 847801723 /nfs/dbraw/zinc/80/17/23/847801723.db2.gz DNXKFCDMWRDPJX-UHFFFAOYSA-N 1 1 410.562 4.207 20 30 HIEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 ZINC000032056795 847983242 /nfs/dbraw/zinc/98/32/42/847983242.db2.gz RBOCENMZQBUXST-QZTJIDSGSA-N 1 1 423.582 4.327 20 30 HIEDMO CC[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000032447114 848028777 /nfs/dbraw/zinc/02/87/77/848028777.db2.gz DMHRWHPRLZKZFA-LJQANCHMSA-N 1 1 420.582 4.119 20 30 HIEDMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043496304 848430872 /nfs/dbraw/zinc/43/08/72/848430872.db2.gz JEIZQYGONCZBBH-UHFFFAOYSA-N 1 1 417.557 4.207 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045786256 848727887 /nfs/dbraw/zinc/72/78/87/848727887.db2.gz FCLMFTLYZJVGSE-KDURUIRLSA-N 1 1 413.587 4.255 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000047257159 849016361 /nfs/dbraw/zinc/01/63/61/849016361.db2.gz JCLCKLPLIHXMLX-INIZCTEOSA-N 1 1 400.482 4.164 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000047257159 849016363 /nfs/dbraw/zinc/01/63/63/849016363.db2.gz JCLCKLPLIHXMLX-INIZCTEOSA-N 1 1 400.482 4.164 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000047714195 849095698 /nfs/dbraw/zinc/09/56/98/849095698.db2.gz DUYAOKMHYOTGKC-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161887 849183611 /nfs/dbraw/zinc/18/36/11/849183611.db2.gz UCZYPQWWEYPFHB-IBGZPJMESA-N 1 1 406.530 4.328 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000048182771 849186768 /nfs/dbraw/zinc/18/67/68/849186768.db2.gz PWOSQZAADCBMNP-HXUWFJFHSA-N 1 1 419.481 4.280 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136917 849356506 /nfs/dbraw/zinc/35/65/06/849356506.db2.gz PDQOBGRLTHJVPH-NRFANRHFSA-N 1 1 408.571 4.230 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136918 849356690 /nfs/dbraw/zinc/35/66/90/849356690.db2.gz PDQOBGRLTHJVPH-OAQYLSRUSA-N 1 1 408.571 4.230 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c1C ZINC000051120702 849433665 /nfs/dbraw/zinc/43/36/65/849433665.db2.gz YONYCUWOCQAXGQ-UHFFFAOYSA-N 1 1 404.558 4.282 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c1C ZINC000051120702 849433668 /nfs/dbraw/zinc/43/36/68/849433668.db2.gz YONYCUWOCQAXGQ-UHFFFAOYSA-N 1 1 404.558 4.282 20 30 HIEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407133 849465944 /nfs/dbraw/zinc/46/59/44/849465944.db2.gz WNKCZAGAJXRJAN-FQEVSTJZSA-N 1 1 404.432 4.176 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(-c4nccs4)c3)CC2)cc1 ZINC000056778095 850480090 /nfs/dbraw/zinc/48/00/90/850480090.db2.gz UXIOCNWKPIBXTQ-UHFFFAOYSA-N 1 1 417.538 4.422 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056985425 850530186 /nfs/dbraw/zinc/53/01/86/850530186.db2.gz DQBYRPCJODFWJA-UHFFFAOYSA-N 1 1 405.542 4.330 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000062604018 851579733 /nfs/dbraw/zinc/57/97/33/851579733.db2.gz ZBWJERHKLAAJCM-OAQYLSRUSA-N 1 1 419.569 4.114 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063403741 851680229 /nfs/dbraw/zinc/68/02/29/851680229.db2.gz VDOWAIFXRJUKMF-UHFFFAOYSA-N 1 1 423.448 4.126 20 30 HIEDMO N#Cc1ccc(NC(=O)CCN2CCC[N@@H+](CC3CCCCC3)CC2)cc1Cl ZINC000063549764 851713102 /nfs/dbraw/zinc/71/31/02/851713102.db2.gz BQYOLMMDDOYOBM-UHFFFAOYSA-N 1 1 402.970 4.128 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000065473209 852147266 /nfs/dbraw/zinc/14/72/66/852147266.db2.gz VIWLMDLSNJCFAF-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000065473209 852147273 /nfs/dbraw/zinc/14/72/73/852147273.db2.gz VIWLMDLSNJCFAF-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437156145 862349306 /nfs/dbraw/zinc/34/93/06/862349306.db2.gz REDOYTDRZNHADO-UHFFFAOYSA-N 1 1 403.404 4.149 20 30 HIEDMO C#CC[NH+]1CCN(Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c2=S)CC1 ZINC000071852635 852418473 /nfs/dbraw/zinc/41/84/73/852418473.db2.gz WWXOFDYMBUOYBY-UHFFFAOYSA-N 1 1 410.974 4.082 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000108122238 852824115 /nfs/dbraw/zinc/82/41/15/852824115.db2.gz NSRADVGCJPKXMQ-OAHLLOKOSA-N 1 1 414.937 4.392 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000109356749 852957994 /nfs/dbraw/zinc/95/79/94/852957994.db2.gz TYLVAFXRZWGSMY-UHFFFAOYSA-N 1 1 424.508 4.043 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000116781329 853332672 /nfs/dbraw/zinc/33/26/72/853332672.db2.gz JCGWTEZPDPENMS-QGZVFWFLSA-N 1 1 407.499 4.226 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000116781329 853332678 /nfs/dbraw/zinc/33/26/78/853332678.db2.gz JCGWTEZPDPENMS-QGZVFWFLSA-N 1 1 407.499 4.226 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362767 853384333 /nfs/dbraw/zinc/38/43/33/853384333.db2.gz PTHIGSIKEIHAMG-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362767 853384339 /nfs/dbraw/zinc/38/43/39/853384339.db2.gz PTHIGSIKEIHAMG-OXQOHEQNSA-N 1 1 409.555 4.289 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236982358 853946629 /nfs/dbraw/zinc/94/66/29/853946629.db2.gz DGQMIYMWSUXAIH-RTBURBONSA-N 1 1 410.537 4.109 20 30 HIEDMO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237474432 854041321 /nfs/dbraw/zinc/04/13/21/854041321.db2.gz MIBOJQDAHLHHPV-RUZDIDTESA-N 1 1 419.546 4.371 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965688 854192936 /nfs/dbraw/zinc/19/29/36/854192936.db2.gz NPZOYMYISYZCDP-VGSWGCGISA-N 1 1 404.539 4.303 20 30 HIEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301363441 854371824 /nfs/dbraw/zinc/37/18/24/854371824.db2.gz RDBHPIMZAFXLCR-UHFFFAOYSA-N 1 1 421.888 4.380 20 30 HIEDMO C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301450419 854398072 /nfs/dbraw/zinc/39/80/72/854398072.db2.gz PUIHFQKFRDVUSU-QGZVFWFLSA-N 1 1 401.470 4.115 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3cncc(SCc4ccccc4)n3)CC2)cc1 ZINC000301766379 854462379 /nfs/dbraw/zinc/46/23/79/854462379.db2.gz HHDAOCKGLVXYLX-UHFFFAOYSA-N 1 1 415.566 4.353 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1OC ZINC000302807861 854640997 /nfs/dbraw/zinc/64/09/97/854640997.db2.gz FMTOFJRGKAEOCJ-UHFFFAOYSA-N 1 1 405.498 4.195 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1OC ZINC000302807861 854641000 /nfs/dbraw/zinc/64/10/00/854641000.db2.gz FMTOFJRGKAEOCJ-UHFFFAOYSA-N 1 1 405.498 4.195 20 30 HIEDMO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)c2c1 ZINC000302875397 854663182 /nfs/dbraw/zinc/66/31/82/854663182.db2.gz FJIIQBYYVYSVHM-QFIPXVFZSA-N 1 1 400.526 4.292 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303230808 854827707 /nfs/dbraw/zinc/82/77/07/854827707.db2.gz VLRAADZSJZEQMF-XMMPIXPASA-N 1 1 404.558 4.044 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000303494621 854983860 /nfs/dbraw/zinc/98/38/60/854983860.db2.gz SYGGXTPPCYAOBM-UHFFFAOYSA-N 1 1 420.582 4.015 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000303505934 854994324 /nfs/dbraw/zinc/99/43/24/854994324.db2.gz BHMDERFJLPWTCP-IBGZPJMESA-N 1 1 401.514 4.307 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000303505934 854994328 /nfs/dbraw/zinc/99/43/28/854994328.db2.gz BHMDERFJLPWTCP-IBGZPJMESA-N 1 1 401.514 4.307 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303562775 855041775 /nfs/dbraw/zinc/04/17/75/855041775.db2.gz IHZXRKYGEHAJQX-PCCBWWKXSA-N 1 1 403.636 4.238 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1C#N ZINC000303563449 855041868 /nfs/dbraw/zinc/04/18/68/855041868.db2.gz LONNZMDBKNPKMD-DEOSSOPVSA-N 1 1 406.530 4.379 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000303647937 855103340 /nfs/dbraw/zinc/10/33/40/855103340.db2.gz SOJVWLVZBWGEDX-UHFFFAOYSA-N 1 1 411.505 4.095 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740033 855165132 /nfs/dbraw/zinc/16/51/32/855165132.db2.gz YUECUFZMDKJVCH-JLGINSKQSA-N 1 1 413.583 4.342 20 30 HIEDMO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000303775117 855190552 /nfs/dbraw/zinc/19/05/52/855190552.db2.gz RKBZRMGVIQZZAM-NZQKXSOJSA-N 1 1 422.569 4.314 20 30 HIEDMO C=CCc1ccc(OCC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000303775118 855190979 /nfs/dbraw/zinc/19/09/79/855190979.db2.gz RKBZRMGVIQZZAM-OFNKIYASSA-N 1 1 422.569 4.314 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000303799306 855204476 /nfs/dbraw/zinc/20/44/76/855204476.db2.gz GMGMTFTWCOFREQ-UHFFFAOYSA-N 1 1 401.304 4.373 20 30 HIEDMO CN1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305666556 855361070 /nfs/dbraw/zinc/36/10/70/855361070.db2.gz IGMXVADHRSSCON-LAUBAEHRSA-N 1 1 400.929 4.387 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(OC(F)F)c1 ZINC000437392835 862724610 /nfs/dbraw/zinc/72/46/10/862724610.db2.gz DHTCGPROFDBPCH-UHFFFAOYSA-N 1 1 420.847 4.059 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000425976255 856025658 /nfs/dbraw/zinc/02/56/58/856025658.db2.gz PRLOHODKOUTDPR-FQEVSTJZSA-N 1 1 405.477 4.041 20 30 HIEDMO O=C(NC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000426426709 856284368 /nfs/dbraw/zinc/28/43/68/856284368.db2.gz ZJFCUSSXAUXXHN-LJQANCHMSA-N 1 1 400.444 4.199 20 30 HIEDMO CC(C)O[C@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000428360323 857172112 /nfs/dbraw/zinc/17/21/12/857172112.db2.gz CSTOYNFNNBCVTL-OAQYLSRUSA-N 1 1 406.486 4.095 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811621 857356314 /nfs/dbraw/zinc/35/63/14/857356314.db2.gz JUIDGMCYTJTLNG-LADGPHEKSA-N 1 1 412.493 4.095 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811621 857356319 /nfs/dbraw/zinc/35/63/19/857356319.db2.gz JUIDGMCYTJTLNG-LADGPHEKSA-N 1 1 412.493 4.095 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935118 857424804 /nfs/dbraw/zinc/42/48/04/857424804.db2.gz YNRSAZGNFAVNTE-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935118 857424811 /nfs/dbraw/zinc/42/48/11/857424811.db2.gz YNRSAZGNFAVNTE-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429029038 857464440 /nfs/dbraw/zinc/46/44/40/857464440.db2.gz DGBDWXUWAVZXOC-LJQANCHMSA-N 1 1 401.601 4.063 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429029038 857464447 /nfs/dbraw/zinc/46/44/47/857464447.db2.gz DGBDWXUWAVZXOC-LJQANCHMSA-N 1 1 401.601 4.063 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069937 857491843 /nfs/dbraw/zinc/49/18/43/857491843.db2.gz SHPQJKWOYRKPCQ-YJBOKZPZSA-N 1 1 414.456 4.192 20 30 HIEDMO C=CCn1c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124062 858042032 /nfs/dbraw/zinc/04/20/32/858042032.db2.gz RMKUQFWULPOSAG-HXUWFJFHSA-N 1 1 424.570 4.416 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177531 858067668 /nfs/dbraw/zinc/06/76/68/858067668.db2.gz MQHSDXXAZABXPH-OAQYLSRUSA-N 1 1 415.493 4.291 20 30 HIEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCc1ccccc1 ZINC000430178765 858068509 /nfs/dbraw/zinc/06/85/09/858068509.db2.gz NBELRNAUZAMWKG-JOCHJYFZSA-N 1 1 415.493 4.194 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 ZINC000430182684 858070512 /nfs/dbraw/zinc/07/05/12/858070512.db2.gz ZMNZZWLURKQMGH-JOCHJYFZSA-N 1 1 413.525 4.145 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000430592212 858230269 /nfs/dbraw/zinc/23/02/69/858230269.db2.gz LZHJQLUOTMATQX-DEOSSOPVSA-N 1 1 405.567 4.431 20 30 HIEDMO N#CCSc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696779 858272128 /nfs/dbraw/zinc/27/21/28/858272128.db2.gz CTUKSUQTKAIOBG-SFHVURJKSA-N 1 1 419.472 4.325 20 30 HIEDMO N#CCSc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696778 858272425 /nfs/dbraw/zinc/27/24/25/858272425.db2.gz CTUKSUQTKAIOBG-GOSISDBHSA-N 1 1 419.472 4.325 20 30 HIEDMO C=CCN1C(=O)N(Cc2ccccc2C[N@H+](C)C(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000430749280 858287584 /nfs/dbraw/zinc/28/75/84/858287584.db2.gz ULYLKDOSFJQXAR-QHCPKHFHSA-N 1 1 405.542 4.088 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765091 858296217 /nfs/dbraw/zinc/29/62/17/858296217.db2.gz DUSWLHZAWUOWHM-FHAGJXEFSA-N 1 1 406.526 4.296 20 30 HIEDMO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826148 858318891 /nfs/dbraw/zinc/31/88/91/858318891.db2.gz GAGAMBYIDHBOMZ-AVRDEDQJSA-N 1 1 401.514 4.093 20 30 HIEDMO C=CCN1C(=O)N([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431520390 858654586 /nfs/dbraw/zinc/65/45/86/858654586.db2.gz OSULUIGAPXVJQZ-FDDCHVKYSA-N 1 1 414.509 4.303 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873427 858849788 /nfs/dbraw/zinc/84/97/88/858849788.db2.gz UCCCQNLGQUZDDB-HYBUGGRVSA-N 1 1 420.557 4.142 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873427 858849789 /nfs/dbraw/zinc/84/97/89/858849789.db2.gz UCCCQNLGQUZDDB-HYBUGGRVSA-N 1 1 420.557 4.142 20 30 HIEDMO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)s1 ZINC000433136247 859535680 /nfs/dbraw/zinc/53/56/80/859535680.db2.gz WXDDRLGFYMLDPE-INIZCTEOSA-N 1 1 400.523 4.105 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433233563 859582233 /nfs/dbraw/zinc/58/22/33/859582233.db2.gz GUBLBCFIBCYEIR-HNNXBMFYSA-N 1 1 403.885 4.255 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433233563 859582241 /nfs/dbraw/zinc/58/22/41/859582241.db2.gz GUBLBCFIBCYEIR-HNNXBMFYSA-N 1 1 403.885 4.255 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433295837 859622399 /nfs/dbraw/zinc/62/23/99/859622399.db2.gz GDNOPTFKPMMVJR-HNNXBMFYSA-N 1 1 418.360 4.275 20 30 HIEDMO C[C@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329267 859647022 /nfs/dbraw/zinc/64/70/22/859647022.db2.gz GDLPKMXIEANPIN-RDPSFJRHSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329267 859647030 /nfs/dbraw/zinc/64/70/30/859647030.db2.gz GDLPKMXIEANPIN-RDPSFJRHSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406485 859681537 /nfs/dbraw/zinc/68/15/37/859681537.db2.gz PLYJBEGMZXZFJL-UXHICEINSA-N 1 1 420.557 4.086 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434671363 860453624 /nfs/dbraw/zinc/45/36/24/860453624.db2.gz HGMYQTMTVXJCRY-KRWDZBQOSA-N 1 1 414.546 4.385 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CCCCCO)sc2C1 ZINC000434683373 860458283 /nfs/dbraw/zinc/45/82/83/860458283.db2.gz GGJRRNYNARHIGL-INIZCTEOSA-N 1 1 405.608 4.194 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000434766377 860488402 /nfs/dbraw/zinc/48/84/02/860488402.db2.gz FMXXOQGUKKBXKU-UHFFFAOYSA-N 1 1 405.498 4.449 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000434766377 860488410 /nfs/dbraw/zinc/48/84/10/860488410.db2.gz FMXXOQGUKKBXKU-UHFFFAOYSA-N 1 1 405.498 4.449 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124287 860652121 /nfs/dbraw/zinc/65/21/21/860652121.db2.gz NVMMIWXQSGULEN-QHCPKHFHSA-N 1 1 401.514 4.040 20 30 HIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435127714 860653702 /nfs/dbraw/zinc/65/37/02/860653702.db2.gz YEICUUSVEAGRLP-QHCPKHFHSA-N 1 1 400.530 4.262 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435138001 860660126 /nfs/dbraw/zinc/66/01/26/860660126.db2.gz PCQLEXJXLFGZNO-OAQYLSRUSA-N 1 1 417.513 4.213 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2ccc(F)cc2)c1 ZINC000467772583 881592129 /nfs/dbraw/zinc/59/21/29/881592129.db2.gz QLPSIYBPFJBATG-JOCHJYFZSA-N 1 1 412.461 4.119 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000437744605 863069889 /nfs/dbraw/zinc/06/98/89/863069889.db2.gz KQTAQAASCIGCEO-XMSQKQJNSA-N 1 1 406.530 4.278 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000437844863 863201230 /nfs/dbraw/zinc/20/12/30/863201230.db2.gz IXMFBNLXYNAOQG-OAQYLSRUSA-N 1 1 420.513 4.069 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@H+]1C ZINC000437960107 863331578 /nfs/dbraw/zinc/33/15/78/863331578.db2.gz HWQOEKMRZLIQRY-HNAYVOBHSA-N 1 1 412.921 4.395 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@H+]1C ZINC000437960102 863332230 /nfs/dbraw/zinc/33/22/30/863332230.db2.gz HWQOEKMRZLIQRY-BEFAXECRSA-N 1 1 412.921 4.395 20 30 HIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438064589 863439118 /nfs/dbraw/zinc/43/91/18/863439118.db2.gz KCSZVGQURSDCGK-XMMPIXPASA-N 1 1 424.548 4.467 20 30 HIEDMO O=C(NC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072832 863457086 /nfs/dbraw/zinc/45/70/86/863457086.db2.gz LJFZGODRQGCBPH-IBGZPJMESA-N 1 1 416.443 4.079 20 30 HIEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000438204023 863633757 /nfs/dbraw/zinc/63/37/57/863633757.db2.gz UOQSYKHDKRJYCY-UHFFFAOYSA-N 1 1 408.542 4.182 20 30 HIEDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000438396148 863844998 /nfs/dbraw/zinc/84/49/98/863844998.db2.gz MSLFJHWNEFFKCR-UHFFFAOYSA-N 1 1 406.530 4.394 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccncc2OC)cc1OC ZINC000438471113 863891050 /nfs/dbraw/zinc/89/10/50/863891050.db2.gz RFQDFUSSRSBYFM-CYBMUJFWSA-N 1 1 407.308 4.277 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557392 864883163 /nfs/dbraw/zinc/88/31/63/864883163.db2.gz MBWCFHCKRDLWNA-FCHUYYIVSA-N 1 1 418.585 4.486 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557392 864883164 /nfs/dbraw/zinc/88/31/64/864883164.db2.gz MBWCFHCKRDLWNA-FCHUYYIVSA-N 1 1 418.585 4.486 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440230568 865466494 /nfs/dbraw/zinc/46/64/94/865466494.db2.gz HOULDXQQKKZLTG-JDBUVZGPSA-N 1 1 404.558 4.487 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000440543406 865812132 /nfs/dbraw/zinc/81/21/32/865812132.db2.gz MOFPXBWXVZDWFX-RDGATRHJSA-N 1 1 419.569 4.332 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000441055045 866130587 /nfs/dbraw/zinc/13/05/87/866130587.db2.gz AGRXPEDPSWBXNM-UHFFFAOYSA-N 1 1 420.340 4.125 20 30 HIEDMO N#CCCN(C(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000441055045 866130602 /nfs/dbraw/zinc/13/06/02/866130602.db2.gz AGRXPEDPSWBXNM-UHFFFAOYSA-N 1 1 420.340 4.125 20 30 HIEDMO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260960 866335372 /nfs/dbraw/zinc/33/53/72/866335372.db2.gz OKNQFCJRLWMXRL-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260960 866335389 /nfs/dbraw/zinc/33/53/89/866335389.db2.gz OKNQFCJRLWMXRL-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368530 866438090 /nfs/dbraw/zinc/43/80/90/866438090.db2.gz ZPWRJQVPUSGEHE-DHIUTWEWSA-N 1 1 410.558 4.067 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442187719 867211652 /nfs/dbraw/zinc/21/16/52/867211652.db2.gz WXXHLFIVUYVRMS-UHFFFAOYSA-N 1 1 412.456 4.433 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)cc(F)c3F)CC2)cc1 ZINC000442200941 867222740 /nfs/dbraw/zinc/22/27/40/867222740.db2.gz NHFWDOTWOGYKTP-UHFFFAOYSA-N 1 1 404.848 4.230 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)cc(F)c3F)CC2)cc1 ZINC000442200941 867222750 /nfs/dbraw/zinc/22/27/50/867222750.db2.gz NHFWDOTWOGYKTP-UHFFFAOYSA-N 1 1 404.848 4.230 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443646021 868234625 /nfs/dbraw/zinc/23/46/25/868234625.db2.gz CNKAVLJACMJZEV-OAHLLOKOSA-N 1 1 424.501 4.401 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443646021 868234655 /nfs/dbraw/zinc/23/46/55/868234655.db2.gz CNKAVLJACMJZEV-OAHLLOKOSA-N 1 1 424.501 4.401 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229761 868679051 /nfs/dbraw/zinc/67/90/51/868679051.db2.gz XLKIJTYXWGRVMX-VQTJNVASSA-N 1 1 401.576 4.300 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444640050 868925416 /nfs/dbraw/zinc/92/54/16/868925416.db2.gz MUOAIDUICDKMSW-QFIPXVFZSA-N 1 1 401.554 4.221 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000444648608 868929211 /nfs/dbraw/zinc/92/92/11/868929211.db2.gz JSIQXYPVZNOZRB-XXBNENTESA-N 1 1 420.557 4.292 20 30 HIEDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667208 868945463 /nfs/dbraw/zinc/94/54/63/868945463.db2.gz SIHSNEZJBQZKBP-UBFVSLLYSA-N 1 1 403.570 4.070 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)c1C#N ZINC000444682971 868957282 /nfs/dbraw/zinc/95/72/82/868957282.db2.gz CMDFPIFREJPFMR-UHFFFAOYSA-N 1 1 416.525 4.220 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC2(c3ccccc3)CC2)c1C#N ZINC000444682971 868957293 /nfs/dbraw/zinc/95/72/93/868957293.db2.gz CMDFPIFREJPFMR-UHFFFAOYSA-N 1 1 416.525 4.220 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445881873 869870480 /nfs/dbraw/zinc/87/04/80/869870480.db2.gz WTTXVJAFCWQWQH-KRWDZBQOSA-N 1 1 417.303 4.164 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000447368409 871276722 /nfs/dbraw/zinc/27/67/22/871276722.db2.gz RCTXBJDJFYLQIG-LJQANCHMSA-N 1 1 424.520 4.016 20 30 HIEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447396697 871305835 /nfs/dbraw/zinc/30/58/35/871305835.db2.gz WUBGPZJPERPHQN-GOSISDBHSA-N 1 1 413.587 4.423 20 30 HIEDMO N#Cc1cccnc1OC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000447594149 871500097 /nfs/dbraw/zinc/50/00/97/871500097.db2.gz XERNBDHSTUDUQY-PFZMCEHDSA-N 1 1 416.569 4.428 20 30 HIEDMO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000447594148 871501451 /nfs/dbraw/zinc/50/14/51/871501451.db2.gz XERNBDHSTUDUQY-KMVVVDKLSA-N 1 1 416.569 4.428 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448201661 872092094 /nfs/dbraw/zinc/09/20/94/872092094.db2.gz HURSEIZEHSIFJQ-PXDATVDWSA-N 1 1 415.537 4.226 20 30 HIEDMO CC1=CC[N@@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000460232590 872819970 /nfs/dbraw/zinc/81/99/70/872819970.db2.gz PTVVFILWNZTCMS-UHFFFAOYSA-N 1 1 406.505 4.061 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460283804 872872115 /nfs/dbraw/zinc/87/21/15/872872115.db2.gz OJSALGRXNBKIAK-CVDCTZTESA-N 1 1 414.557 4.326 20 30 HIEDMO CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460316229 872902909 /nfs/dbraw/zinc/90/29/09/872902909.db2.gz ZXTFWEOBUIYUMB-UHFFFAOYSA-N 1 1 420.948 4.202 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460378826 873019086 /nfs/dbraw/zinc/01/90/86/873019086.db2.gz ZVBMJWDGRFFMIY-AZUAARDMSA-N 1 1 404.562 4.378 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460380208 873021977 /nfs/dbraw/zinc/02/19/77/873021977.db2.gz MDWFNCILHIJNAU-PGRDOPGGSA-N 1 1 406.578 4.093 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460764996 873607057 /nfs/dbraw/zinc/60/70/57/873607057.db2.gz ADTZJCRAYAAHQG-APWZRJJASA-N 1 1 417.985 4.350 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460794516 873661989 /nfs/dbraw/zinc/66/19/89/873661989.db2.gz XRZUHJITWZCAQV-UHFFFAOYSA-N 1 1 418.589 4.381 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@H+](CC)CC1 ZINC000460795365 873664250 /nfs/dbraw/zinc/66/42/50/873664250.db2.gz CNFOLLADHKZVTH-UHFFFAOYSA-N 1 1 424.376 4.272 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460810552 873688938 /nfs/dbraw/zinc/68/89/38/873688938.db2.gz DADCBDPTWXBGIP-FPOVZHCZSA-N 1 1 406.578 4.024 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460935815 873836668 /nfs/dbraw/zinc/83/66/68/873836668.db2.gz WXRPMBKXCHTHIP-WOJBJXKFSA-N 1 1 402.546 4.015 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460961248 873858525 /nfs/dbraw/zinc/85/85/25/873858525.db2.gz SUDNNBWRCLMXSV-RXVVDRJESA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460962992 873859427 /nfs/dbraw/zinc/85/94/27/873859427.db2.gz MQRSTPKCHWIOLH-FPOVZHCZSA-N 1 1 406.578 4.166 20 30 HIEDMO C=CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000461432743 874478449 /nfs/dbraw/zinc/47/84/49/874478449.db2.gz VJIXBCGUBYEKQN-FYYLOGMGSA-N 1 1 420.553 4.026 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461448170 874506333 /nfs/dbraw/zinc/50/63/33/874506333.db2.gz KFZXEHSLANGGOF-ZEQRLZLVSA-N 1 1 417.553 4.088 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461478749 874536459 /nfs/dbraw/zinc/53/64/59/874536459.db2.gz KFMQHOZJHXJDRU-UTKZUKDTSA-N 1 1 420.586 4.093 20 30 HIEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1 ZINC000461797602 874912424 /nfs/dbraw/zinc/91/24/24/874912424.db2.gz LFFFVHGADJFEKQ-KRWDZBQOSA-N 1 1 415.459 4.415 20 30 HIEDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067417 875178991 /nfs/dbraw/zinc/17/89/91/875178991.db2.gz NDHNOYMYGVBFNJ-FOIQADDNSA-N 1 1 401.432 4.071 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237498 875350044 /nfs/dbraw/zinc/35/00/44/875350044.db2.gz LODOMZQGYXRXRR-CVDCTZTESA-N 1 1 413.525 4.252 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1C ZINC000463195171 876254547 /nfs/dbraw/zinc/25/45/47/876254547.db2.gz VUCFLCSLHYDWHO-CJOZULMCSA-N 1 1 411.590 4.202 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000463774985 876895454 /nfs/dbraw/zinc/89/54/54/876895454.db2.gz KDAPOQIOJXWRHE-HRAATJIYSA-N 1 1 400.544 4.134 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000464839128 878102642 /nfs/dbraw/zinc/10/26/42/878102642.db2.gz OZJVSRHIKLNEGC-QFIPXVFZSA-N 1 1 418.585 4.147 20 30 HIEDMO Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1-c1cccc(C#N)c1 ZINC000503398527 912378405 /nfs/dbraw/zinc/37/84/05/912378405.db2.gz JDUNXDYJAFJEEF-KRWDZBQOSA-N 1 1 410.481 4.038 20 30 HIEDMO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000465889834 879545719 /nfs/dbraw/zinc/54/57/19/879545719.db2.gz JAHNSMZQVISERI-HXUWFJFHSA-N 1 1 414.912 4.205 20 30 HIEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000466089679 879808508 /nfs/dbraw/zinc/80/85/08/879808508.db2.gz WPNLVMHQGRFYIQ-FQEVSTJZSA-N 1 1 414.937 4.085 20 30 HIEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000466702995 880494275 /nfs/dbraw/zinc/49/42/75/880494275.db2.gz FZPBNTNDIHPDRQ-MRXNPFEDSA-N 1 1 421.364 4.207 20 30 HIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000466702995 880494280 /nfs/dbraw/zinc/49/42/80/880494280.db2.gz FZPBNTNDIHPDRQ-MRXNPFEDSA-N 1 1 421.364 4.207 20 30 HIEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1nccs1 ZINC000467144376 880885142 /nfs/dbraw/zinc/88/51/42/880885142.db2.gz OEUUZFKRFYRPNB-QFIPXVFZSA-N 1 1 407.543 4.276 20 30 HIEDMO N#Cc1ccccc1OCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301413 881049616 /nfs/dbraw/zinc/04/96/16/881049616.db2.gz NKLKVXNOUGJWAW-UHFFFAOYSA-N 1 1 415.331 4.381 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000469122389 883215980 /nfs/dbraw/zinc/21/59/80/883215980.db2.gz YXSRHRBXLQGNDJ-CYBMUJFWSA-N 1 1 402.951 4.080 20 30 HIEDMO CC[C@H](C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736150 883894190 /nfs/dbraw/zinc/89/41/90/883894190.db2.gz WCQSFJKNKGINMC-BEFAXECRSA-N 1 1 406.313 4.181 20 30 HIEDMO CC[C@H](C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736150 883894195 /nfs/dbraw/zinc/89/41/95/883894195.db2.gz WCQSFJKNKGINMC-BEFAXECRSA-N 1 1 406.313 4.181 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccc(Cl)cc1 ZINC000469761343 883927319 /nfs/dbraw/zinc/92/73/19/883927319.db2.gz SSIVWMYPEGSGOL-CHWSQXEVSA-N 1 1 402.951 4.374 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000470212290 884532802 /nfs/dbraw/zinc/53/28/02/884532802.db2.gz SOWRQWUOOJZESN-HXUWFJFHSA-N 1 1 411.933 4.125 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000470239862 884568311 /nfs/dbraw/zinc/56/83/11/884568311.db2.gz XMJMMNXSXZQHGQ-NRFANRHFSA-N 1 1 403.526 4.349 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000470417386 884819919 /nfs/dbraw/zinc/81/99/19/884819919.db2.gz YMEPIBPYFDZROJ-UHFFFAOYSA-N 1 1 417.465 4.117 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccncc4)cc3F)C2=O)cc1 ZINC000503926737 912867138 /nfs/dbraw/zinc/86/71/38/912867138.db2.gz HBJZZMRSYNNFLU-QHCPKHFHSA-N 1 1 400.457 4.045 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1 ZINC000470852929 885350708 /nfs/dbraw/zinc/35/07/08/885350708.db2.gz USSXJRHJMZYMPY-JOCHJYFZSA-N 1 1 424.932 4.164 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169508 885725757 /nfs/dbraw/zinc/72/57/57/885725757.db2.gz OXOIMOQFBILCHW-TZIWHRDSSA-N 1 1 422.598 4.478 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169982 885727384 /nfs/dbraw/zinc/72/73/84/885727384.db2.gz PJSFQLAPQFIITN-GOSISDBHSA-N 1 1 408.571 4.038 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)c2ccccc21 ZINC000472230130 887035387 /nfs/dbraw/zinc/03/53/87/887035387.db2.gz NYYDHZVNQBNMIU-DEOSSOPVSA-N 1 1 401.510 4.110 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c2ccccc21 ZINC000472241855 887051437 /nfs/dbraw/zinc/05/14/37/887051437.db2.gz QJVTZSBAAZWQRW-QFIPXVFZSA-N 1 1 415.493 4.346 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c2ccccc21 ZINC000472241855 887051459 /nfs/dbraw/zinc/05/14/59/887051459.db2.gz QJVTZSBAAZWQRW-QFIPXVFZSA-N 1 1 415.493 4.346 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472311814 887139270 /nfs/dbraw/zinc/13/92/70/887139270.db2.gz IYCKGOXZJSTMOB-GHTZIAJQSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472311814 887139272 /nfs/dbraw/zinc/13/92/72/887139272.db2.gz IYCKGOXZJSTMOB-GHTZIAJQSA-N 1 1 414.456 4.191 20 30 HIEDMO Cc1nsc(N2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472586583 887465419 /nfs/dbraw/zinc/46/54/19/887465419.db2.gz PCJWFSBUNWQPIM-UHFFFAOYSA-N 1 1 417.582 4.259 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000504309892 913158691 /nfs/dbraw/zinc/15/86/91/913158691.db2.gz LOKBQXOJXZQLSR-VXKWHMMOSA-N 1 1 404.514 4.080 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472925800 887774279 /nfs/dbraw/zinc/77/42/79/887774279.db2.gz CFPFEPMGAGKWCN-HXUWFJFHSA-N 1 1 412.361 4.029 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000473493899 888215266 /nfs/dbraw/zinc/21/52/66/888215266.db2.gz GCGWDVFEASIFGF-AREMUKBSSA-N 1 1 420.553 4.388 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473758023 888550251 /nfs/dbraw/zinc/55/02/51/888550251.db2.gz XKOXDFBNYGJQDZ-DHIUTWEWSA-N 1 1 420.557 4.289 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473758023 888550263 /nfs/dbraw/zinc/55/02/63/888550263.db2.gz XKOXDFBNYGJQDZ-DHIUTWEWSA-N 1 1 420.557 4.289 20 30 HIEDMO CC(C)(C#N)c1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000475185880 890055643 /nfs/dbraw/zinc/05/56/43/890055643.db2.gz ZADLJHWIMOCRRF-UHFFFAOYSA-N 1 1 424.976 4.083 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396497 890323975 /nfs/dbraw/zinc/32/39/75/890323975.db2.gz IJMVYEQAPSZPIN-VWNXMTODSA-N 1 1 420.532 4.251 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000475561296 890490952 /nfs/dbraw/zinc/49/09/52/890490952.db2.gz LREOSXXRWLDVHN-QFIPXVFZSA-N 1 1 407.558 4.427 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000475567644 890498029 /nfs/dbraw/zinc/49/80/29/890498029.db2.gz LIHNLYIHQNRDHU-RUZDIDTESA-N 1 1 407.558 4.297 20 30 HIEDMO N#CCC[C@H](C#N)C[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475682497 890623326 /nfs/dbraw/zinc/62/33/26/890623326.db2.gz RPESYLRYHOOBBH-VQIMIIECSA-N 1 1 422.392 4.469 20 30 HIEDMO N#CCC[C@H](C#N)C[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475682497 890623332 /nfs/dbraw/zinc/62/33/32/890623332.db2.gz RPESYLRYHOOBBH-VQIMIIECSA-N 1 1 422.392 4.469 20 30 HIEDMO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)sc1SCC#N ZINC000504836792 913556991 /nfs/dbraw/zinc/55/69/91/913556991.db2.gz JNIRRWJZFRVFME-OAHLLOKOSA-N 1 1 404.536 4.057 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948238 891885717 /nfs/dbraw/zinc/88/57/17/891885717.db2.gz CDIXHVJTSLCZKO-WMZHIEFXSA-N 1 1 413.512 4.446 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948240 891886641 /nfs/dbraw/zinc/88/66/41/891886641.db2.gz CDIXHVJTSLCZKO-XXBNENTESA-N 1 1 413.512 4.446 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000479110070 894377485 /nfs/dbraw/zinc/37/74/85/894377485.db2.gz ZRGUMFUYGNDVIV-HUTZZIEHSA-N 1 1 424.589 4.071 20 30 HIEDMO N#CC1(NC(=O)c2coc(-c3ccccc3Cl)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479221751 894484483 /nfs/dbraw/zinc/48/44/83/894484483.db2.gz UECXKZTUHFCYTE-UHFFFAOYSA-N 1 1 420.900 4.283 20 30 HIEDMO Cc1ccccc1-c1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000479305042 894592230 /nfs/dbraw/zinc/59/22/30/894592230.db2.gz GJMLHHMHQFIPCO-UHFFFAOYSA-N 1 1 416.550 4.407 20 30 HIEDMO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OCCCC#N ZINC000479416556 894727571 /nfs/dbraw/zinc/72/75/71/894727571.db2.gz FDMHXECAIHBLAV-QHCPKHFHSA-N 1 1 408.477 4.130 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479697657 894989709 /nfs/dbraw/zinc/98/97/09/894989709.db2.gz YJDZQPKCMBIJDA-OYRHEFFESA-N 1 1 403.615 4.310 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000505273282 913929609 /nfs/dbraw/zinc/92/96/09/913929609.db2.gz OJDWZIVIEBWCDL-UHFFFAOYSA-N 1 1 423.557 4.094 20 30 HIEDMO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000505273282 913929635 /nfs/dbraw/zinc/92/96/35/913929635.db2.gz OJDWZIVIEBWCDL-UHFFFAOYSA-N 1 1 423.557 4.094 20 30 HIEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000505273282 913929645 /nfs/dbraw/zinc/92/96/45/913929645.db2.gz OJDWZIVIEBWCDL-UHFFFAOYSA-N 1 1 423.557 4.094 20 30 HIEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480171657 895562136 /nfs/dbraw/zinc/56/21/36/895562136.db2.gz QKPCERPNHHHVIC-CYFREDJKSA-N 1 1 414.557 4.008 20 30 HIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480784764 896150694 /nfs/dbraw/zinc/15/06/94/896150694.db2.gz IARBLERAXDACJE-UHFFFAOYSA-N 1 1 405.473 4.320 20 30 HIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480784764 896150707 /nfs/dbraw/zinc/15/07/07/896150707.db2.gz IARBLERAXDACJE-UHFFFAOYSA-N 1 1 405.473 4.320 20 30 HIEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1Br ZINC000481241689 896592214 /nfs/dbraw/zinc/59/22/14/896592214.db2.gz VJBPYWREKRKYDS-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481579939 896959599 /nfs/dbraw/zinc/95/95/99/896959599.db2.gz RBHPXLCBJMCVNE-PEBXRYMYSA-N 1 1 404.457 4.066 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1 ZINC000481610928 896993430 /nfs/dbraw/zinc/99/34/30/896993430.db2.gz CEGVILAHXVONBE-QFIPXVFZSA-N 1 1 415.484 4.292 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481864193 897232284 /nfs/dbraw/zinc/23/22/84/897232284.db2.gz NRVJEHZLGCIVFA-GMAHTHKFSA-N 1 1 405.567 4.163 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262458 897747108 /nfs/dbraw/zinc/74/71/08/897747108.db2.gz CKDOMNFFAFUTPY-IGKWTDBASA-N 1 1 402.542 4.315 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC2)cc1 ZINC000482282667 897777037 /nfs/dbraw/zinc/77/70/37/897777037.db2.gz NHFDSMQHQZLEGP-FQEVSTJZSA-N 1 1 422.495 4.287 20 30 HIEDMO C=C(C)[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(F)c(F)c1 ZINC000482504150 898086314 /nfs/dbraw/zinc/08/63/14/898086314.db2.gz WBVQABKSZKDVFO-IBGZPJMESA-N 1 1 409.473 4.224 20 30 HIEDMO N#CC1(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000482581106 898177354 /nfs/dbraw/zinc/17/73/54/898177354.db2.gz PZRUUKHPEVNDGJ-UHFFFAOYSA-N 1 1 420.900 4.283 20 30 HIEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000483025955 898685740 /nfs/dbraw/zinc/68/57/40/898685740.db2.gz ZFNJKYIUHGWLRU-QHCPKHFHSA-N 1 1 400.567 4.311 20 30 HIEDMO OC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)cc1C(F)(F)F ZINC000483231016 898874830 /nfs/dbraw/zinc/87/48/30/898874830.db2.gz MYDXUGIQRHIJJG-QGZVFWFLSA-N 1 1 416.212 4.282 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383942 899017754 /nfs/dbraw/zinc/01/77/54/899017754.db2.gz QUICVTDPJZSJOE-VXKWHMMOSA-N 1 1 420.532 4.251 20 30 HIEDMO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000485048826 900381429 /nfs/dbraw/zinc/38/14/29/900381429.db2.gz KCCDHAHDDRUZMY-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000485048826 900381440 /nfs/dbraw/zinc/38/14/40/900381440.db2.gz KCCDHAHDDRUZMY-UHFFFAOYSA-N 1 1 419.312 4.154 20 30 HIEDMO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000485349730 900641602 /nfs/dbraw/zinc/64/16/02/900641602.db2.gz RZPJSJXXHMEOQE-CABCVRRESA-N 1 1 408.449 4.270 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485469742 900764096 /nfs/dbraw/zinc/76/40/96/900764096.db2.gz WWTAQZOOHORZGX-FCHUYYIVSA-N 1 1 410.583 4.374 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485469742 900764104 /nfs/dbraw/zinc/76/41/04/900764104.db2.gz WWTAQZOOHORZGX-FCHUYYIVSA-N 1 1 410.583 4.374 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)Cc2ccccc2)cc1OC ZINC000505887118 914531092 /nfs/dbraw/zinc/53/10/92/914531092.db2.gz SGPUCPCWGIQOBO-UHFFFAOYSA-N 1 1 406.320 4.017 20 30 HIEDMO CC(C)[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000486245676 901428206 /nfs/dbraw/zinc/42/82/06/901428206.db2.gz SDQOBQNBKBMPPY-HSZRJFAPSA-N 1 1 406.530 4.136 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000486460932 901620844 /nfs/dbraw/zinc/62/08/44/901620844.db2.gz BSHKABATDRRPPZ-HYBUGGRVSA-N 1 1 406.530 4.258 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000505935919 914587520 /nfs/dbraw/zinc/58/75/20/914587520.db2.gz QWILGVPSAGWLKP-DLBZAZTESA-N 1 1 412.603 4.279 20 30 HIEDMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487404551 902185988 /nfs/dbraw/zinc/18/59/88/902185988.db2.gz UKRODBIYDXNHFQ-LJQANCHMSA-N 1 1 415.541 4.417 20 30 HIEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000487513065 902230199 /nfs/dbraw/zinc/23/01/99/902230199.db2.gz VJDKHIUTTHUDQR-UHFFFAOYSA-N 1 1 422.532 4.152 20 30 HIEDMO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC000487782653 902362768 /nfs/dbraw/zinc/36/27/68/902362768.db2.gz KFVFTLBDILKNLV-INIZCTEOSA-N 1 1 407.461 4.146 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503494 902858956 /nfs/dbraw/zinc/85/89/56/902858956.db2.gz OQVMPSNXKFDLMR-UGSOOPFHSA-N 1 1 419.859 4.265 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000488614953 902900378 /nfs/dbraw/zinc/90/03/78/902900378.db2.gz SSVZYHCGOCUBPF-FCHUYYIVSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000488614953 902900406 /nfs/dbraw/zinc/90/04/06/902900406.db2.gz SSVZYHCGOCUBPF-FCHUYYIVSA-N 1 1 412.484 4.202 20 30 HIEDMO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)cc(OC)c1 ZINC000490041481 903737879 /nfs/dbraw/zinc/73/78/79/903737879.db2.gz MUVPFWZIQGPMHI-KRWDZBQOSA-N 1 1 417.456 4.253 20 30 HIEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)cc(OC)c1 ZINC000490041481 903737888 /nfs/dbraw/zinc/73/78/88/903737888.db2.gz MUVPFWZIQGPMHI-KRWDZBQOSA-N 1 1 417.456 4.253 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330009 903917246 /nfs/dbraw/zinc/91/72/46/903917246.db2.gz YJKPSKOUAOKBMK-VXKWHMMOSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330009 903917259 /nfs/dbraw/zinc/91/72/59/903917259.db2.gz YJKPSKOUAOKBMK-VXKWHMMOSA-N 1 1 409.480 4.208 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000490538432 904085180 /nfs/dbraw/zinc/08/51/80/904085180.db2.gz DRTQCIXITZXDQM-UHFFFAOYSA-N 1 1 400.404 4.489 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000492076870 904789671 /nfs/dbraw/zinc/78/96/71/904789671.db2.gz BHLCEMWRDMSYED-OFNKIYASSA-N 1 1 404.514 4.004 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000492402531 904845206 /nfs/dbraw/zinc/84/52/06/904845206.db2.gz SQINCTJMXCOZAS-QHCPKHFHSA-N 1 1 423.605 4.116 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000492818657 904916632 /nfs/dbraw/zinc/91/66/32/904916632.db2.gz OWXOPZXXCKYDSQ-UHFFFAOYSA-N 1 1 403.295 4.029 20 30 HIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1F ZINC000493888925 905248281 /nfs/dbraw/zinc/24/82/81/905248281.db2.gz QPZQIPUJLKEZOY-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000493986806 905331113 /nfs/dbraw/zinc/33/11/13/905331113.db2.gz HHDQVKYEZYVPJI-UHFFFAOYSA-N 1 1 402.325 4.142 20 30 HIEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443732 921164324 /nfs/dbraw/zinc/16/43/24/921164324.db2.gz GOEDTNORORFDBK-QHCPKHFHSA-N 1 1 405.542 4.121 20 30 HIEDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000494769455 905965360 /nfs/dbraw/zinc/96/53/60/905965360.db2.gz JYDBICMCQPXKGJ-AWEZNQCLSA-N 1 1 421.482 4.049 20 30 HIEDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000494769455 905965361 /nfs/dbraw/zinc/96/53/61/905965361.db2.gz JYDBICMCQPXKGJ-AWEZNQCLSA-N 1 1 421.482 4.049 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000494844169 906033762 /nfs/dbraw/zinc/03/37/62/906033762.db2.gz GEQCHOSXBHMTAW-UHFFFAOYSA-N 1 1 419.422 4.453 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CO[C@@H](C)Cc3[nH]cc[nH+]3)sc2C1 ZINC000495250438 906338868 /nfs/dbraw/zinc/33/88/68/906338868.db2.gz BBSAZAFYYNHVET-GJZGRUSLSA-N 1 1 414.575 4.470 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C2CC2)n1 ZINC000495484396 906479592 /nfs/dbraw/zinc/47/95/92/906479592.db2.gz IRHLWFXZAHRFLP-OAQYLSRUSA-N 1 1 419.554 4.410 20 30 HIEDMO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(OC(F)F)c1 ZINC000512638242 921270295 /nfs/dbraw/zinc/27/02/95/921270295.db2.gz HFVJBGONQIWTMO-UHFFFAOYSA-N 1 1 415.440 4.019 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593377 907075083 /nfs/dbraw/zinc/07/50/83/907075083.db2.gz AUYCSISQESUVGU-AVRDEDQJSA-N 1 1 419.525 4.076 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497599745 907079368 /nfs/dbraw/zinc/07/93/68/907079368.db2.gz KPXQRNAZLLLUPL-QZTJIDSGSA-N 1 1 409.530 4.144 20 30 HIEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620019 907099467 /nfs/dbraw/zinc/09/94/67/907099467.db2.gz MALJFIDIBQZUGX-QGZVFWFLSA-N 1 1 413.443 4.128 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000512769468 921304492 /nfs/dbraw/zinc/30/44/92/921304492.db2.gz VBFMCXBKUQKLMC-SFHVURJKSA-N 1 1 404.514 4.218 20 30 HIEDMO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512801484 921314166 /nfs/dbraw/zinc/31/41/66/921314166.db2.gz MDXWSFPSHHBDNG-KKWNJKKUSA-N 1 1 401.576 4.107 20 30 HIEDMO CCOC1CC2(C1)CC[N@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512801484 921314169 /nfs/dbraw/zinc/31/41/69/921314169.db2.gz MDXWSFPSHHBDNG-KKWNJKKUSA-N 1 1 401.576 4.107 20 30 HIEDMO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512835887 921338187 /nfs/dbraw/zinc/33/81/87/921338187.db2.gz ZGAFRWSTJAESSW-UHFFFAOYSA-N 1 1 402.853 4.181 20 30 HIEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498701923 908126265 /nfs/dbraw/zinc/12/62/65/908126265.db2.gz HUEKCVPXPXHJDZ-WMZHIEFXSA-N 1 1 402.542 4.143 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2cccc(O)c2)CC2CC2)sc2c1CCCC2 ZINC000499074242 908438793 /nfs/dbraw/zinc/43/87/93/908438793.db2.gz HOZXFBBHEIABOI-UHFFFAOYSA-N 1 1 409.555 4.445 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499194578 908549309 /nfs/dbraw/zinc/54/93/09/908549309.db2.gz PLFUBALSEHLXJN-REWPJTCUSA-N 1 1 409.578 4.215 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000499592626 908849937 /nfs/dbraw/zinc/84/99/37/908849937.db2.gz PWLMHRLZZFCAJV-OALUTQOASA-N 1 1 406.530 4.278 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618053 908857079 /nfs/dbraw/zinc/85/70/79/908857079.db2.gz INNKLGLGUZWOMR-UXHICEINSA-N 1 1 404.432 4.180 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499936625 909042398 /nfs/dbraw/zinc/04/23/98/909042398.db2.gz AZIAGYNHLRMIMH-KXBFYZLASA-N 1 1 413.459 4.409 20 30 HIEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502171551 911093168 /nfs/dbraw/zinc/09/31/68/911093168.db2.gz KGOJNLGFAKZDOL-INIZCTEOSA-N 1 1 424.932 4.198 20 30 HIEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502173433 911097320 /nfs/dbraw/zinc/09/73/20/911097320.db2.gz KHEZLLRJXBCXNK-MRXNPFEDSA-N 1 1 424.932 4.198 20 30 HIEDMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502175768 911099441 /nfs/dbraw/zinc/09/94/41/911099441.db2.gz SGQPDSKEYBFXGR-MRXNPFEDSA-N 1 1 401.470 4.020 20 30 HIEDMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178187 911103776 /nfs/dbraw/zinc/10/37/76/911103776.db2.gz YQUITAPZVHERJM-AWEZNQCLSA-N 1 1 407.499 4.081 20 30 HIEDMO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502205053 911149923 /nfs/dbraw/zinc/14/99/23/911149923.db2.gz IAEINJITTYAMDN-AWEZNQCLSA-N 1 1 407.499 4.081 20 30 HIEDMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507459 911511452 /nfs/dbraw/zinc/51/14/52/911511452.db2.gz OEFJWEZYFJQDEO-GYLQWBMOSA-N 1 1 404.510 4.129 20 30 HIEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549466 911557754 /nfs/dbraw/zinc/55/77/54/911557754.db2.gz YZZUVZAHKGSSNJ-OAHLLOKOSA-N 1 1 401.426 4.367 20 30 HIEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549466 911557773 /nfs/dbraw/zinc/55/77/73/911557773.db2.gz YZZUVZAHKGSSNJ-OAHLLOKOSA-N 1 1 401.426 4.367 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502933930 911919008 /nfs/dbraw/zinc/91/90/08/911919008.db2.gz DMETYZSNZVIZJH-QGZVFWFLSA-N 1 1 403.486 4.238 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077359 912048062 /nfs/dbraw/zinc/04/80/62/912048062.db2.gz UEIOKOFSQKOVHZ-AUSIDOKSSA-N 1 1 416.525 4.425 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000503146318 912109581 /nfs/dbraw/zinc/10/95/81/912109581.db2.gz MRPDFNRXUQMWNL-JOCHJYFZSA-N 1 1 417.513 4.179 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000506295381 914890472 /nfs/dbraw/zinc/89/04/72/914890472.db2.gz QBSHCBVMXFZSBM-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000506295381 914890473 /nfs/dbraw/zinc/89/04/73/914890473.db2.gz QBSHCBVMXFZSBM-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000506295381 914890475 /nfs/dbraw/zinc/89/04/75/914890475.db2.gz QBSHCBVMXFZSBM-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310652 914899658 /nfs/dbraw/zinc/89/96/58/914899658.db2.gz XVJGTPZAAWCQIH-DEOSSOPVSA-N 1 1 422.475 4.435 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000506462057 915060763 /nfs/dbraw/zinc/06/07/63/915060763.db2.gz ZKCUJDHMABNSPQ-DEOSSOPVSA-N 1 1 415.493 4.011 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000506462057 915060776 /nfs/dbraw/zinc/06/07/76/915060776.db2.gz ZKCUJDHMABNSPQ-DEOSSOPVSA-N 1 1 415.493 4.011 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(Br)c1 ZINC000506887496 915680175 /nfs/dbraw/zinc/68/01/75/915680175.db2.gz WLYRWXKVUNOTCA-UHFFFAOYSA-N 1 1 418.360 4.332 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506937167 915740821 /nfs/dbraw/zinc/74/08/21/915740821.db2.gz NPIDRDYNPBSSCA-LJQANCHMSA-N 1 1 411.509 4.089 20 30 HIEDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C#N)CCCCC1 ZINC000507218149 915970795 /nfs/dbraw/zinc/97/07/95/915970795.db2.gz JUPLVOGUTAXZAE-UHFFFAOYSA-N 1 1 408.546 4.329 20 30 HIEDMO C=C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241478 916001084 /nfs/dbraw/zinc/00/10/84/916001084.db2.gz YLQBFPPCFJFYQW-ILBGXUMGSA-N 1 1 418.581 4.391 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507651305 916413169 /nfs/dbraw/zinc/41/31/69/916413169.db2.gz DPAKRYXQAHKAHR-UHFFFAOYSA-N 1 1 421.932 4.495 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507785861 916568752 /nfs/dbraw/zinc/56/87/52/916568752.db2.gz VMBDEIHZPZDDRB-OAHLLOKOSA-N 1 1 415.440 4.030 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508466615 917251495 /nfs/dbraw/zinc/25/14/95/917251495.db2.gz VIYXMWQGCLPGFS-UHFFFAOYSA-N 1 1 416.573 4.183 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508497638 917280954 /nfs/dbraw/zinc/28/09/54/917280954.db2.gz MRZANLIFTFGCAN-OAQYLSRUSA-N 1 1 417.557 4.098 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508504023 917288102 /nfs/dbraw/zinc/28/81/02/917288102.db2.gz ISFOOVBYWKBPMG-LJQANCHMSA-N 1 1 404.562 4.156 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508505712 917291843 /nfs/dbraw/zinc/29/18/43/917291843.db2.gz OAXXZDNBQHHOLG-VQTJNVASSA-N 1 1 409.578 4.231 20 30 HIEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620372 917388183 /nfs/dbraw/zinc/38/81/83/917388183.db2.gz JGAJAIXNLRFIAR-QFIPXVFZSA-N 1 1 400.526 4.325 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508738526 917498221 /nfs/dbraw/zinc/49/82/21/917498221.db2.gz GSSWQNJPVKCACQ-UHFFFAOYSA-N 1 1 414.557 4.019 20 30 HIEDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000509548753 918198804 /nfs/dbraw/zinc/19/88/04/918198804.db2.gz JIYRDSQCNWCJNA-QFIPXVFZSA-N 1 1 408.546 4.319 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000510056515 918625985 /nfs/dbraw/zinc/62/59/85/918625985.db2.gz PIOVETOPPCVCKN-IBGZPJMESA-N 1 1 415.459 4.393 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510071917 918640555 /nfs/dbraw/zinc/64/05/55/918640555.db2.gz NFUKFCMGTDWRQY-SIKLNZKXSA-N 1 1 405.542 4.133 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319244 918828632 /nfs/dbraw/zinc/82/86/32/918828632.db2.gz LRJMLWBKNFELHE-OALUTQOASA-N 1 1 403.860 4.178 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)sc2c1CCCC2 ZINC000510706074 919146295 /nfs/dbraw/zinc/14/62/95/919146295.db2.gz RRYSNVJWKHPUJG-XMMPIXPASA-N 1 1 421.566 4.001 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)sc2c1CCCC2 ZINC000510706074 919146299 /nfs/dbraw/zinc/14/62/99/919146299.db2.gz RRYSNVJWKHPUJG-XMMPIXPASA-N 1 1 421.566 4.001 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511094383 919699040 /nfs/dbraw/zinc/69/90/40/919699040.db2.gz GQCFYDYTYNRGQJ-UHFFFAOYSA-N 1 1 423.460 4.314 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511094383 919699047 /nfs/dbraw/zinc/69/90/47/919699047.db2.gz GQCFYDYTYNRGQJ-UHFFFAOYSA-N 1 1 423.460 4.314 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC000511135834 919751813 /nfs/dbraw/zinc/75/18/13/919751813.db2.gz IBQUFGKXHMUTNZ-UHFFFAOYSA-N 1 1 401.432 4.105 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000511217569 919827104 /nfs/dbraw/zinc/82/71/04/919827104.db2.gz PQFRYZRNYDUGMP-UHFFFAOYSA-N 1 1 420.557 4.151 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511328343 919918532 /nfs/dbraw/zinc/91/85/32/919918532.db2.gz RVVXOIPVYUJQSC-DEOSSOPVSA-N 1 1 420.532 4.456 20 30 HIEDMO CC[N@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)[C@@H](C)C1 ZINC000511608044 920258109 /nfs/dbraw/zinc/25/81/09/920258109.db2.gz ZKIYGDOIHTVLAT-IRXDYDNUSA-N 1 1 416.635 4.125 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658315 920323956 /nfs/dbraw/zinc/32/39/56/920323956.db2.gz XGOSGHZXSTVFJS-WIYYLYMNSA-N 1 1 402.460 4.379 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512262829 921020195 /nfs/dbraw/zinc/02/01/95/921020195.db2.gz RXCQLTSNNBEMCM-IBGZPJMESA-N 1 1 407.562 4.139 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512262829 921020211 /nfs/dbraw/zinc/02/02/11/921020211.db2.gz RXCQLTSNNBEMCM-IBGZPJMESA-N 1 1 407.562 4.139 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666870 921990158 /nfs/dbraw/zinc/99/01/58/921990158.db2.gz PUDISPTUFCWTBG-BCHFMIIMSA-N 1 1 411.505 4.472 20 30 HIEDMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513666870 921990171 /nfs/dbraw/zinc/99/01/71/921990171.db2.gz PUDISPTUFCWTBG-BCHFMIIMSA-N 1 1 411.505 4.472 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000513684071 922005678 /nfs/dbraw/zinc/00/56/78/922005678.db2.gz OQLFQTAYUAINQL-NRFANRHFSA-N 1 1 413.525 4.055 20 30 HIEDMO Cc1[nH]c2ccccc2c1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000513789831 922117232 /nfs/dbraw/zinc/11/72/32/922117232.db2.gz OCEMNBWZUMDEFO-UHFFFAOYSA-N 1 1 407.539 4.001 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000514046210 922367014 /nfs/dbraw/zinc/36/70/14/922367014.db2.gz NZKTVYULIDQGFL-XZOQPEGZSA-N 1 1 406.505 4.036 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000514864935 922826780 /nfs/dbraw/zinc/82/67/80/922826780.db2.gz BIVCOARTPFBGLZ-ZDUSSCGKSA-N 1 1 411.431 4.441 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cccc(F)c2)c1C#N ZINC000514917863 922843996 /nfs/dbraw/zinc/84/39/96/922843996.db2.gz PNKBQNPVQIHZDK-UHFFFAOYSA-N 1 1 408.477 4.218 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540118 924253151 /nfs/dbraw/zinc/25/31/51/924253151.db2.gz NTLQHGQJWGWPPC-UWJYYQICSA-N 1 1 415.459 4.192 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000518905858 927615714 /nfs/dbraw/zinc/61/57/14/927615714.db2.gz HEMFURTXVIAQCN-BGYRXZFFSA-N 1 1 421.541 4.355 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000518905858 927615722 /nfs/dbraw/zinc/61/57/22/927615722.db2.gz HEMFURTXVIAQCN-BGYRXZFFSA-N 1 1 421.541 4.355 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000518905860 927615734 /nfs/dbraw/zinc/61/57/34/927615734.db2.gz HEMFURTXVIAQCN-WOJBJXKFSA-N 1 1 421.541 4.355 20 30 HIEDMO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000519201716 927824143 /nfs/dbraw/zinc/82/41/43/927824143.db2.gz WCBIVZPTUBNYEE-CYFREDJKSA-N 1 1 405.542 4.448 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520195543 928381519 /nfs/dbraw/zinc/38/15/19/928381519.db2.gz CKYAGWXUGPOSSL-BBWFWOEESA-N 1 1 404.580 4.090 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520195543 928381534 /nfs/dbraw/zinc/38/15/34/928381534.db2.gz CKYAGWXUGPOSSL-BBWFWOEESA-N 1 1 404.580 4.090 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc2)nc1 ZINC000520322826 928486007 /nfs/dbraw/zinc/48/60/07/928486007.db2.gz HDRARMLFIOWPDI-OAQYLSRUSA-N 1 1 410.477 4.370 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000520366620 928522607 /nfs/dbraw/zinc/52/26/07/928522607.db2.gz WRYBOEZFJGQVBP-VNXZQDSDSA-N 1 1 403.526 4.029 20 30 HIEDMO Cn1cc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898828 928865188 /nfs/dbraw/zinc/86/51/88/928865188.db2.gz BUFOKHKXDXYKAO-HSZRJFAPSA-N 1 1 413.569 4.351 20 30 HIEDMO Cn1cc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898828 928865195 /nfs/dbraw/zinc/86/51/95/928865195.db2.gz BUFOKHKXDXYKAO-HSZRJFAPSA-N 1 1 413.569 4.351 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810853 929468147 /nfs/dbraw/zinc/46/81/47/929468147.db2.gz HJDYWQNBGXYFFS-INIZCTEOSA-N 1 1 417.435 4.353 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000525570775 930336437 /nfs/dbraw/zinc/33/64/37/930336437.db2.gz UDSWQXSNHHCQMA-UTKZUKDTSA-N 1 1 400.544 4.134 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638754 930783214 /nfs/dbraw/zinc/78/32/14/930783214.db2.gz ABXWYEFCLJOWHX-ICSRJNTNSA-N 1 1 417.431 4.178 20 30 HIEDMO Cc1ccc(NCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)[nH+]c1 ZINC000530884024 930848156 /nfs/dbraw/zinc/84/81/56/930848156.db2.gz XYKMDCLEGCOGCG-UHFFFAOYSA-N 1 1 400.482 4.073 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000532483547 931456503 /nfs/dbraw/zinc/45/65/03/931456503.db2.gz NYJRVDAHNTZMNQ-JOCHJYFZSA-N 1 1 424.541 4.064 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000532483547 931456506 /nfs/dbraw/zinc/45/65/06/931456506.db2.gz NYJRVDAHNTZMNQ-JOCHJYFZSA-N 1 1 424.541 4.064 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1sccc1C#N ZINC000532526224 931474946 /nfs/dbraw/zinc/47/49/46/931474946.db2.gz TWXYWNFTXUZTPK-UHFFFAOYSA-N 1 1 411.506 4.042 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554332 931520475 /nfs/dbraw/zinc/52/04/75/931520475.db2.gz GTZBZTMGAWPOQW-HXUWFJFHSA-N 1 1 413.529 4.214 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560907 931524743 /nfs/dbraw/zinc/52/47/43/931524743.db2.gz ZPWWMBKERWJEBC-RTBURBONSA-N 1 1 416.525 4.082 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cc2ccccc2o1 ZINC000532560907 931524759 /nfs/dbraw/zinc/52/47/59/931524759.db2.gz ZPWWMBKERWJEBC-RTBURBONSA-N 1 1 416.525 4.082 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000532590545 931547718 /nfs/dbraw/zinc/54/77/18/931547718.db2.gz NQNGICFPERMLGM-UPVQGACJSA-N 1 1 415.537 4.226 20 30 HIEDMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533260735 931821815 /nfs/dbraw/zinc/82/18/15/931821815.db2.gz LZOSXEWMPKLQMC-QHCPKHFHSA-N 1 1 420.488 4.224 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[N@H+](C4CCCC4)CC3)sc2C1 ZINC000533289795 931829106 /nfs/dbraw/zinc/82/91/06/931829106.db2.gz CVHDIESSFFEIAD-QGZVFWFLSA-N 1 1 414.619 4.023 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374838 931852719 /nfs/dbraw/zinc/85/27/19/931852719.db2.gz CWRZMOFXANTETN-WCIQWLHISA-N 1 1 414.619 4.357 20 30 HIEDMO COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533406577 931860395 /nfs/dbraw/zinc/86/03/95/931860395.db2.gz PKDHCMALDMYTRO-UHFFFAOYSA-N 1 1 407.558 4.450 20 30 HIEDMO COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533406577 931860396 /nfs/dbraw/zinc/86/03/96/931860396.db2.gz PKDHCMALDMYTRO-UHFFFAOYSA-N 1 1 407.558 4.450 20 30 HIEDMO COc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533406577 931860399 /nfs/dbraw/zinc/86/03/99/931860399.db2.gz PKDHCMALDMYTRO-UHFFFAOYSA-N 1 1 407.558 4.450 20 30 HIEDMO COc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533406577 931860401 /nfs/dbraw/zinc/86/04/01/931860401.db2.gz PKDHCMALDMYTRO-UHFFFAOYSA-N 1 1 407.558 4.450 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000533416922 931861979 /nfs/dbraw/zinc/86/19/79/931861979.db2.gz JTQMBRWIZFSLGT-UHFFFAOYSA-N 1 1 412.342 4.140 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419511 931862374 /nfs/dbraw/zinc/86/23/74/931862374.db2.gz GIGZSFANCBUXLX-IRXDYDNUSA-N 1 1 403.592 4.497 20 30 HIEDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419511 931862378 /nfs/dbraw/zinc/86/23/78/931862378.db2.gz GIGZSFANCBUXLX-IRXDYDNUSA-N 1 1 403.592 4.497 20 30 HIEDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000533448041 931872576 /nfs/dbraw/zinc/87/25/76/931872576.db2.gz NOVYYMCKPJFPMY-HNNXBMFYSA-N 1 1 412.921 4.124 20 30 HIEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000533501533 931885593 /nfs/dbraw/zinc/88/55/93/931885593.db2.gz HNPVLTZMMSFSBG-QGZVFWFLSA-N 1 1 421.888 4.080 20 30 HIEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000533501533 931885595 /nfs/dbraw/zinc/88/55/95/931885595.db2.gz HNPVLTZMMSFSBG-QGZVFWFLSA-N 1 1 421.888 4.080 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000533522685 931893149 /nfs/dbraw/zinc/89/31/49/931893149.db2.gz NUPJMJXTLLCLOW-FQEVSTJZSA-N 1 1 412.559 4.106 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000533522685 931893152 /nfs/dbraw/zinc/89/31/52/931893152.db2.gz NUPJMJXTLLCLOW-FQEVSTJZSA-N 1 1 412.559 4.106 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753517 932730801 /nfs/dbraw/zinc/73/08/01/932730801.db2.gz KWAHKNWNKBMYJC-RPBOFIJWSA-N 1 1 411.505 4.312 20 30 HIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)nc2c1 ZINC000534951647 932854844 /nfs/dbraw/zinc/85/48/44/932854844.db2.gz XFHKOXXNNIWSCD-MRXNPFEDSA-N 1 1 407.905 4.215 20 30 HIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)nc2c1 ZINC000534951647 932854849 /nfs/dbraw/zinc/85/48/49/932854849.db2.gz XFHKOXXNNIWSCD-MRXNPFEDSA-N 1 1 407.905 4.215 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OC4CCC4)cc3Cl)CC2)cc1 ZINC000535371155 933098284 /nfs/dbraw/zinc/09/82/84/933098284.db2.gz GXBXMUQNKZYHES-UHFFFAOYSA-N 1 1 423.944 4.491 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OC4CCC4)cc3Cl)CC2)cc1 ZINC000535371155 933098290 /nfs/dbraw/zinc/09/82/90/933098290.db2.gz GXBXMUQNKZYHES-UHFFFAOYSA-N 1 1 423.944 4.491 20 30 HIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535664557 933308289 /nfs/dbraw/zinc/30/82/89/933308289.db2.gz BNDAYQCDMYFCLV-GOSISDBHSA-N 1 1 411.575 4.394 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000537333953 933720759 /nfs/dbraw/zinc/72/07/59/933720759.db2.gz KNSGMDXXBBCJQN-UHFFFAOYSA-N 1 1 422.529 4.173 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000538110475 938504703 /nfs/dbraw/zinc/50/47/03/938504703.db2.gz GUCOHYPDSLMYJR-OAQYLSRUSA-N 1 1 402.542 4.099 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1 ZINC000538223800 938563620 /nfs/dbraw/zinc/56/36/20/938563620.db2.gz VYASLXHQZWFWKG-AUUYWEPGSA-N 1 1 419.497 4.275 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538557660 938648627 /nfs/dbraw/zinc/64/86/27/938648627.db2.gz QXHHLRGSFLLNML-SFTDATJTSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538557660 938648628 /nfs/dbraw/zinc/64/86/28/938648628.db2.gz QXHHLRGSFLLNML-SFTDATJTSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600925 938659146 /nfs/dbraw/zinc/65/91/46/938659146.db2.gz LSLZUSOMYLIHPJ-KNQAVFIVSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600925 938659151 /nfs/dbraw/zinc/65/91/51/938659151.db2.gz LSLZUSOMYLIHPJ-KNQAVFIVSA-N 1 1 415.896 4.070 20 30 HIEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539247776 938825245 /nfs/dbraw/zinc/82/52/45/938825245.db2.gz NFSGXXADSFZQHG-VXGBXAGGSA-N 1 1 405.470 4.388 20 30 HIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000539270193 938831048 /nfs/dbraw/zinc/83/10/48/938831048.db2.gz HWJQTUVTWNHLGW-LSDHHAIUSA-N 1 1 401.507 4.375 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccccc1 ZINC000539313056 938839280 /nfs/dbraw/zinc/83/92/80/938839280.db2.gz OCNZVTSGEQKPHM-JOCHJYFZSA-N 1 1 420.488 4.021 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000539457635 938863495 /nfs/dbraw/zinc/86/34/95/938863495.db2.gz GNDYVJKMZWZTSP-LEWJYISDSA-N 1 1 417.985 4.013 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000539899159 938972145 /nfs/dbraw/zinc/97/21/45/938972145.db2.gz ADUOUCXIUPXUPL-SJORKVTESA-N 1 1 410.352 4.271 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c(C#N)c1C ZINC000540365095 939212157 /nfs/dbraw/zinc/21/21/57/939212157.db2.gz GDCDVBMHOXJOCM-HXUWFJFHSA-N 1 1 407.445 4.256 20 30 HIEDMO C=CCOc1cccnc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540394213 939232406 /nfs/dbraw/zinc/23/24/06/939232406.db2.gz JBOTXUYKQNNNQF-UHFFFAOYSA-N 1 1 419.447 4.013 20 30 HIEDMO C=CCOc1cccnc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540394213 939232413 /nfs/dbraw/zinc/23/24/13/939232413.db2.gz JBOTXUYKQNNNQF-UHFFFAOYSA-N 1 1 419.447 4.013 20 30 HIEDMO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540441092 939251149 /nfs/dbraw/zinc/25/11/49/939251149.db2.gz APWHXNZMOQLGRL-HNNXBMFYSA-N 1 1 403.885 4.394 20 30 HIEDMO N#CCC1CCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000541033583 939436843 /nfs/dbraw/zinc/43/68/43/939436843.db2.gz ALXFMZULYABESH-OAQYLSRUSA-N 1 1 408.571 4.183 20 30 HIEDMO N#CCC1CCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000541033583 939436849 /nfs/dbraw/zinc/43/68/49/939436849.db2.gz ALXFMZULYABESH-OAQYLSRUSA-N 1 1 408.571 4.183 20 30 HIEDMO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1 ZINC000541353882 939496209 /nfs/dbraw/zinc/49/62/09/939496209.db2.gz CGUICPZYGMFODD-QFIPXVFZSA-N 1 1 413.525 4.127 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1 ZINC000541353882 939496210 /nfs/dbraw/zinc/49/62/10/939496210.db2.gz CGUICPZYGMFODD-QFIPXVFZSA-N 1 1 413.525 4.127 20 30 HIEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000541379522 939501448 /nfs/dbraw/zinc/50/14/48/939501448.db2.gz RNQUUXXKHFPHSH-UONOGXRCSA-N 1 1 402.589 4.265 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1c(C)noc1C ZINC000541638031 939580606 /nfs/dbraw/zinc/58/06/06/939580606.db2.gz FBEJQALNURTRFF-FQEVSTJZSA-N 1 1 405.502 4.250 20 30 HIEDMO Cn1ccc([C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccc(Cl)cc2)n1 ZINC000541735576 939617018 /nfs/dbraw/zinc/61/70/18/939617018.db2.gz XNOPKTAWVKIGOQ-WMZHIEFXSA-N 1 1 423.923 4.432 20 30 HIEDMO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c(Cl)c1 ZINC000542075284 939702984 /nfs/dbraw/zinc/70/29/84/939702984.db2.gz RDCMBDRPZNQIIG-FQEVSTJZSA-N 1 1 405.889 4.000 20 30 HIEDMO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)n2)c(Cl)c1 ZINC000542075284 939702986 /nfs/dbraw/zinc/70/29/86/939702986.db2.gz RDCMBDRPZNQIIG-FQEVSTJZSA-N 1 1 405.889 4.000 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c1C#N ZINC000542319462 939798913 /nfs/dbraw/zinc/79/89/13/939798913.db2.gz OGOZJRJUTGSPLB-NRFANRHFSA-N 1 1 416.525 4.354 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c1C#N ZINC000542319462 939798919 /nfs/dbraw/zinc/79/89/19/939798919.db2.gz OGOZJRJUTGSPLB-NRFANRHFSA-N 1 1 416.525 4.354 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000542410485 939816585 /nfs/dbraw/zinc/81/65/85/939816585.db2.gz OSWISUATWFTYQH-YADHBBJMSA-N 1 1 408.933 4.331 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000542410485 939816586 /nfs/dbraw/zinc/81/65/86/939816586.db2.gz OSWISUATWFTYQH-YADHBBJMSA-N 1 1 408.933 4.331 20 30 HIEDMO CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000542420018 939818456 /nfs/dbraw/zinc/81/84/56/939818456.db2.gz YPJDQTHAAAWQBQ-QHCPKHFHSA-N 1 1 402.542 4.069 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543023399 939897358 /nfs/dbraw/zinc/89/73/58/939897358.db2.gz GHBTZVBPJJCFRL-IEBWSBKVSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543023399 939897359 /nfs/dbraw/zinc/89/73/59/939897359.db2.gz GHBTZVBPJJCFRL-IEBWSBKVSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2C1 ZINC000543131772 939963049 /nfs/dbraw/zinc/96/30/49/939963049.db2.gz UIBXHKHSJDKUMH-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2C1 ZINC000543131772 939963053 /nfs/dbraw/zinc/96/30/53/939963053.db2.gz UIBXHKHSJDKUMH-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756892 945286533 /nfs/dbraw/zinc/28/65/33/945286533.db2.gz YMINAFSRLLJYEY-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756892 945286537 /nfs/dbraw/zinc/28/65/37/945286537.db2.gz YMINAFSRLLJYEY-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756892 945286553 /nfs/dbraw/zinc/28/65/53/945286553.db2.gz YMINAFSRLLJYEY-GOSISDBHSA-N 1 1 410.949 4.137 20 30 HIEDMO N#CCC1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000543178411 939986889 /nfs/dbraw/zinc/98/68/89/939986889.db2.gz FGTSBXJRTZSWFJ-UHFFFAOYSA-N 1 1 409.361 4.293 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000543240327 940005121 /nfs/dbraw/zinc/00/51/21/940005121.db2.gz VIUAMJRGYCZPHC-HNNXBMFYSA-N 1 1 407.543 4.096 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000543240327 940005122 /nfs/dbraw/zinc/00/51/22/940005122.db2.gz VIUAMJRGYCZPHC-HNNXBMFYSA-N 1 1 407.543 4.096 20 30 HIEDMO N#Cc1ccc(CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C2CC2)cc1 ZINC000543331774 940033251 /nfs/dbraw/zinc/03/32/51/940033251.db2.gz FDRWZGGLRCZVMO-UHFFFAOYSA-N 1 1 406.555 4.304 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459544 940069430 /nfs/dbraw/zinc/06/94/30/940069430.db2.gz VYNCXFWGTRKMER-BHIFYINESA-N 1 1 410.606 4.181 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000543638484 940145784 /nfs/dbraw/zinc/14/57/84/940145784.db2.gz YXXNIDZSSOPQTP-DEOSSOPVSA-N 1 1 400.526 4.297 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000543638484 940145788 /nfs/dbraw/zinc/14/57/88/940145788.db2.gz YXXNIDZSSOPQTP-DEOSSOPVSA-N 1 1 400.526 4.297 20 30 HIEDMO N#Cc1ccc(-c2ccccc2)nc1SC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000544023626 940302252 /nfs/dbraw/zinc/30/22/52/940302252.db2.gz CLJWKWIKDFDKIX-QFIPXVFZSA-N 1 1 401.535 4.132 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(F)cc2)c1 ZINC000544084181 940321772 /nfs/dbraw/zinc/32/17/72/940321772.db2.gz OSWWSUNQJZEMBH-HSZRJFAPSA-N 1 1 408.498 4.174 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000544474399 940447617 /nfs/dbraw/zinc/44/76/17/940447617.db2.gz IHBQYUXBKPOJAO-KRWDZBQOSA-N 1 1 401.532 4.096 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000544486812 940453384 /nfs/dbraw/zinc/45/33/84/940453384.db2.gz QUGXLLGWBMMMGY-HZPDHXFCSA-N 1 1 414.575 4.435 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000544486811 940453501 /nfs/dbraw/zinc/45/35/01/940453501.db2.gz QUGXLLGWBMMMGY-HOTGVXAUSA-N 1 1 414.575 4.435 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)Oc4ccc(C#N)cc4)n3)cc2F)CC1 ZINC000545661653 940579428 /nfs/dbraw/zinc/57/94/28/940579428.db2.gz RVMCLSKSTPNWKK-MRXNPFEDSA-N 1 1 421.476 4.029 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483239 941107955 /nfs/dbraw/zinc/10/79/55/941107955.db2.gz JAPGHKCOXZJLGT-AJSBUHFISA-N 1 1 406.549 4.166 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636823 941116935 /nfs/dbraw/zinc/11/69/35/941116935.db2.gz LGAYFJRDHRRORB-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636823 941116936 /nfs/dbraw/zinc/11/69/36/941116936.db2.gz LGAYFJRDHRRORB-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO Cc1cc(Cl)c2ncc(C#N)c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000548987756 941139236 /nfs/dbraw/zinc/13/92/36/941139236.db2.gz UUWXFXUCVMSXRY-LJQANCHMSA-N 1 1 406.917 4.247 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000549185723 941169399 /nfs/dbraw/zinc/16/93/99/941169399.db2.gz BWFZNOWJBZFECH-MRXNPFEDSA-N 1 1 418.497 4.426 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000549185723 941169401 /nfs/dbraw/zinc/16/94/01/941169401.db2.gz BWFZNOWJBZFECH-MRXNPFEDSA-N 1 1 418.497 4.426 20 30 HIEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000549541983 941198763 /nfs/dbraw/zinc/19/87/63/941198763.db2.gz JIMWLLZMSSEUBJ-KXBFYZLASA-N 1 1 416.447 4.270 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000549637169 941202324 /nfs/dbraw/zinc/20/23/24/941202324.db2.gz KSCKYCJBXZCURW-GOSISDBHSA-N 1 1 411.575 4.177 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549685414 941204408 /nfs/dbraw/zinc/20/44/08/941204408.db2.gz KKCZBSWBRIOFAJ-OALUTQOASA-N 1 1 415.557 4.301 20 30 HIEDMO CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC000549806946 941207922 /nfs/dbraw/zinc/20/79/22/941207922.db2.gz BIWDATMUAFTJLI-RBUKOAKNSA-N 1 1 400.320 4.041 20 30 HIEDMO C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1OC ZINC000551086518 941406834 /nfs/dbraw/zinc/40/68/34/941406834.db2.gz SENMNCFMONSTSF-JOCHJYFZSA-N 1 1 423.557 4.038 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1OCC ZINC000552086156 941582156 /nfs/dbraw/zinc/58/21/56/941582156.db2.gz ZIAOHSXICHNCIH-SFHVURJKSA-N 1 1 410.352 4.292 20 30 HIEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989505 941812638 /nfs/dbraw/zinc/81/26/38/941812638.db2.gz CFBVJTBWSDDQCL-HXUWFJFHSA-N 1 1 416.997 4.199 20 30 HIEDMO N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000553174329 941844900 /nfs/dbraw/zinc/84/49/00/941844900.db2.gz QAFVYOIUWPIFOX-AREMUKBSSA-N 1 1 424.548 4.189 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000553541260 941905026 /nfs/dbraw/zinc/90/50/26/941905026.db2.gz WOVMZNVRZDESTD-HSZRJFAPSA-N 1 1 421.516 4.122 20 30 HIEDMO N#CCC[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681728 941943605 /nfs/dbraw/zinc/94/36/05/941943605.db2.gz YNJGYOSEDUCZJO-ZCYQVOJMSA-N 1 1 402.542 4.339 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000553899783 941994002 /nfs/dbraw/zinc/99/40/02/941994002.db2.gz RTJUENBYBOGYIS-VWLOTQADSA-N 1 1 405.542 4.059 20 30 HIEDMO COc1cc2c(cc1F)C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000554397387 942126040 /nfs/dbraw/zinc/12/60/40/942126040.db2.gz MNLYJKFNTKXJAJ-UHFFFAOYSA-N 1 1 413.518 4.033 20 30 HIEDMO COc1cc2c(cc1F)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000554397387 942126043 /nfs/dbraw/zinc/12/60/43/942126043.db2.gz MNLYJKFNTKXJAJ-UHFFFAOYSA-N 1 1 413.518 4.033 20 30 HIEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554640777 942184087 /nfs/dbraw/zinc/18/40/87/942184087.db2.gz PLTJHRNNBGKAEW-UHFFFAOYSA-N 1 1 406.578 4.093 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)c1C#N ZINC000554977192 942340803 /nfs/dbraw/zinc/34/08/03/942340803.db2.gz ZIYNWKFHGBWSLP-DEOSSOPVSA-N 1 1 400.478 4.427 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000555253505 942447668 /nfs/dbraw/zinc/44/76/68/942447668.db2.gz IRZLVAXHWIFJFF-SFHVURJKSA-N 1 1 408.575 4.169 20 30 HIEDMO C=C(C)Cn1c(N2CC[C@@H](C[N@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555273148 942458660 /nfs/dbraw/zinc/45/86/60/942458660.db2.gz RRJYVDALOLRAGG-SFHVURJKSA-N 1 1 419.520 4.151 20 30 HIEDMO C[N@@H+](CCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1)C1CC1 ZINC000556960021 942979259 /nfs/dbraw/zinc/97/92/59/942979259.db2.gz LABQCQXYPAWFMF-UHFFFAOYSA-N 1 1 420.532 4.189 20 30 HIEDMO N#Cc1cc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000557494047 943165723 /nfs/dbraw/zinc/16/57/23/943165723.db2.gz WKBFNCLLLKZFPL-KRWDZBQOSA-N 1 1 403.845 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000557523124 943189889 /nfs/dbraw/zinc/18/98/89/943189889.db2.gz IYBQQPAVPHWRHC-TZMCWYRMSA-N 1 1 414.365 4.370 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000557584138 943220599 /nfs/dbraw/zinc/22/05/99/943220599.db2.gz WNQABXVZFCTSEA-QGZVFWFLSA-N 1 1 414.600 4.392 20 30 HIEDMO Cc1cc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(N2CCCC2)[nH+]1 ZINC000558487320 943572709 /nfs/dbraw/zinc/57/27/09/943572709.db2.gz VOFRTRNKSWTLRU-UHFFFAOYSA-N 1 1 411.509 4.107 20 30 HIEDMO C=CCCO[C@@H](C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074127 944428989 /nfs/dbraw/zinc/42/89/89/944428989.db2.gz GOWCGFQOLWEFDN-URXFXBBRSA-N 1 1 407.558 4.056 20 30 HIEDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Br)cc3C#N)ccc2NC1=O ZINC000561857391 944823329 /nfs/dbraw/zinc/82/33/29/944823329.db2.gz LKSRDBKEIQNFOO-KZULUSFZSA-N 1 1 414.303 4.281 20 30 HIEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000562015882 944895285 /nfs/dbraw/zinc/89/52/85/944895285.db2.gz QZFRIEUSKZOMPS-QGZVFWFLSA-N 1 1 407.518 4.052 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243393 945038952 /nfs/dbraw/zinc/03/89/52/945038952.db2.gz IXPDVPMEOWNGCL-FPOVZHCZSA-N 1 1 423.532 4.424 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243292 945039481 /nfs/dbraw/zinc/03/94/81/945039481.db2.gz IXPDVPMEOWNGCL-CTNGQTDRSA-N 1 1 423.532 4.424 20 30 HIEDMO C[N@@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCCC1 ZINC000564236885 945455163 /nfs/dbraw/zinc/45/51/63/945455163.db2.gz RIWJKGFEVHBIJV-UHFFFAOYSA-N 1 1 416.997 4.199 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000565335511 945815220 /nfs/dbraw/zinc/81/52/20/945815220.db2.gz FQVQSPTVZUAWQM-IBGZPJMESA-N 1 1 409.555 4.204 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000565335511 945815222 /nfs/dbraw/zinc/81/52/22/945815222.db2.gz FQVQSPTVZUAWQM-IBGZPJMESA-N 1 1 409.555 4.204 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000566380458 946013838 /nfs/dbraw/zinc/01/38/38/946013838.db2.gz CQYMCXPLDYSGFZ-SFHVURJKSA-N 1 1 407.823 4.468 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000566380458 946013844 /nfs/dbraw/zinc/01/38/44/946013844.db2.gz CQYMCXPLDYSGFZ-SFHVURJKSA-N 1 1 407.823 4.468 20 30 HIEDMO C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OCC ZINC000567393316 946322805 /nfs/dbraw/zinc/32/28/05/946322805.db2.gz BXXOHWHXGTZWSS-DQEYMECFSA-N 1 1 421.585 4.446 20 30 HIEDMO C[C@@H]1[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000570425944 947237610 /nfs/dbraw/zinc/23/76/10/947237610.db2.gz HIAOHPUPZTUMOT-WZONZLPQSA-N 1 1 415.493 4.123 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000570601312 947309937 /nfs/dbraw/zinc/30/99/37/947309937.db2.gz RGXRXOUZVOQRSB-CALCHBBNSA-N 1 1 411.468 4.385 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000570671144 947325340 /nfs/dbraw/zinc/32/53/40/947325340.db2.gz UADDOJPLRYSJRS-TZIWHRDSSA-N 1 1 404.432 4.130 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000571830073 947797789 /nfs/dbraw/zinc/79/77/89/947797789.db2.gz MYZUAZXZAFZQLT-UHFFFAOYSA-N 1 1 414.500 4.473 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000572108878 947846204 /nfs/dbraw/zinc/84/62/04/947846204.db2.gz IYITWHKDZAPJRH-NSHDSACASA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000572108878 947846210 /nfs/dbraw/zinc/84/62/10/947846210.db2.gz IYITWHKDZAPJRH-NSHDSACASA-N 1 1 400.338 4.125 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c1C#N ZINC000572736139 947994650 /nfs/dbraw/zinc/99/46/50/947994650.db2.gz WBPZCBOTWKKGAQ-RTWAWAEBSA-N 1 1 408.546 4.457 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575089833 948589433 /nfs/dbraw/zinc/58/94/33/948589433.db2.gz OVWULYFDBUTDDQ-SJLPKXTDSA-N 1 1 422.454 4.482 20 30 HIEDMO Cc1[nH+]cc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164447661 718993178 /nfs/dbraw/zinc/99/31/78/718993178.db2.gz DDGUQKPIWDJQTK-UHFFFAOYSA-N 1 1 408.239 4.483 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(cc2C#N)CCCC4)CC3)cs1 ZINC001164693524 719813469 /nfs/dbraw/zinc/81/34/69/719813469.db2.gz WCIWSQPFYLWBJW-UHFFFAOYSA-N 1 1 407.587 4.232 20 30 HIEDMO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706892 719905681 /nfs/dbraw/zinc/90/56/81/719905681.db2.gz LKMJFWCSFGNUBH-UHFFFAOYSA-N 1 1 423.369 4.193 20 30 HIEDMO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729029 720489176 /nfs/dbraw/zinc/48/91/76/720489176.db2.gz QRTXCQCKMFWONZ-NHCUHLMSSA-N 1 1 403.917 4.317 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731177 720489226 /nfs/dbraw/zinc/48/92/26/720489226.db2.gz WJTVZCVJIDBCAO-VQTJNVASSA-N 1 1 403.917 4.317 20 30 HIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164725336 720490402 /nfs/dbraw/zinc/49/04/02/720490402.db2.gz JUHUNRYJKBQUOB-VQTJNVASSA-N 1 1 421.907 4.456 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842755 720666816 /nfs/dbraw/zinc/66/68/16/720666816.db2.gz UATNENOTBKSMDN-JOCHJYFZSA-N 1 1 404.558 4.337 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908870 721746442 /nfs/dbraw/zinc/74/64/42/721746442.db2.gz MYYUXEYPOVBJAQ-UHFFFAOYSA-N 1 1 401.514 4.259 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908870 721746449 /nfs/dbraw/zinc/74/64/49/721746449.db2.gz MYYUXEYPOVBJAQ-UHFFFAOYSA-N 1 1 401.514 4.259 20 30 HIEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C#N)c5ccccc5n4)CC3)C2)cc1 ZINC001164938620 721930613 /nfs/dbraw/zinc/93/06/13/721930613.db2.gz BDFPUEHHVNXIMO-UHFFFAOYSA-N 1 1 412.537 4.286 20 30 HIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955358 722013738 /nfs/dbraw/zinc/01/37/38/722013738.db2.gz VAAXZLPKSZXPMS-UHFFFAOYSA-N 1 1 418.932 4.042 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c1C#N ZINC000007607316 845371949 /nfs/dbraw/zinc/37/19/49/845371949.db2.gz IFMLVFLIWDMPHF-AWEZNQCLSA-N 1 1 412.440 4.185 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(-c2ccccc2)c1 ZINC000011459924 845799434 /nfs/dbraw/zinc/79/94/34/845799434.db2.gz UNWYPPYEARFNQC-UHFFFAOYSA-N 1 1 419.554 4.145 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015301091 846031303 /nfs/dbraw/zinc/03/13/03/846031303.db2.gz UGEIEWDUNRPBFC-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015301091 846031314 /nfs/dbraw/zinc/03/13/14/846031314.db2.gz UGEIEWDUNRPBFC-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778939 846619445 /nfs/dbraw/zinc/61/94/45/846619445.db2.gz FLFBGDLHOORVOY-UHFFFAOYSA-N 1 1 405.933 4.024 20 30 HIEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000022836081 846627678 /nfs/dbraw/zinc/62/76/78/846627678.db2.gz DFRWRWLCDGSJNS-UHFFFAOYSA-N 1 1 410.521 4.128 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000022836081 846627682 /nfs/dbraw/zinc/62/76/82/846627682.db2.gz DFRWRWLCDGSJNS-UHFFFAOYSA-N 1 1 410.521 4.128 20 30 HIEDMO N#Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)sc2c1CCCCC2 ZINC000023468150 846703722 /nfs/dbraw/zinc/70/37/22/846703722.db2.gz IXXWGCZCCDRKSL-UHFFFAOYSA-N 1 1 422.598 4.035 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSCc3cccc(Cl)c3)CC2)cc1 ZINC000023752624 846745521 /nfs/dbraw/zinc/74/55/21/846745521.db2.gz HFFQHDVRXAUCAE-UHFFFAOYSA-N 1 1 413.974 4.179 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSCc3cccc(Cl)c3)CC2)cc1 ZINC000023752624 846745525 /nfs/dbraw/zinc/74/55/25/846745525.db2.gz HFFQHDVRXAUCAE-UHFFFAOYSA-N 1 1 413.974 4.179 20 30 HIEDMO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000026618907 847176986 /nfs/dbraw/zinc/17/69/86/847176986.db2.gz XOARUWAMJRGMBR-UHFFFAOYSA-N 1 1 411.505 4.192 20 30 HIEDMO N#Cc1ccc(OCC[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000026926695 847223754 /nfs/dbraw/zinc/22/37/54/847223754.db2.gz UMKJUIVCOVJNBS-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000026926695 847223759 /nfs/dbraw/zinc/22/37/59/847223759.db2.gz UMKJUIVCOVJNBS-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208192 847266999 /nfs/dbraw/zinc/26/69/99/847266999.db2.gz RJDCVFAVPSKWOV-FTJBHMTQSA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1C#N ZINC000027558165 847320221 /nfs/dbraw/zinc/32/02/21/847320221.db2.gz UWKKMCUKXCSHGO-KRWDZBQOSA-N 1 1 408.477 4.389 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1C#N ZINC000027558165 847320228 /nfs/dbraw/zinc/32/02/28/847320228.db2.gz UWKKMCUKXCSHGO-KRWDZBQOSA-N 1 1 408.477 4.389 20 30 HIEDMO CC(C)C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)[NH+]1CCOCC1 ZINC000032058219 847983882 /nfs/dbraw/zinc/98/38/82/847983882.db2.gz ARASTYYHRSEQLD-HXUWFJFHSA-N 1 1 423.582 4.186 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000046530195 848867685 /nfs/dbraw/zinc/86/76/85/848867685.db2.gz GHAGERRVJFRSLD-GOSISDBHSA-N 1 1 401.510 4.199 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000046530195 848867690 /nfs/dbraw/zinc/86/76/90/848867690.db2.gz GHAGERRVJFRSLD-GOSISDBHSA-N 1 1 401.510 4.199 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047127610 848990229 /nfs/dbraw/zinc/99/02/29/848990229.db2.gz MGTAXFLHBIWFDH-SFTDATJTSA-N 1 1 407.558 4.194 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000047257476 849015681 /nfs/dbraw/zinc/01/56/81/849015681.db2.gz CYQTYJQFIHKTEE-INIZCTEOSA-N 1 1 400.482 4.164 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000047257476 849015688 /nfs/dbraw/zinc/01/56/88/849015688.db2.gz CYQTYJQFIHKTEE-INIZCTEOSA-N 1 1 400.482 4.164 20 30 HIEDMO CC(C)COc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048117899 849170439 /nfs/dbraw/zinc/17/04/39/849170439.db2.gz XZNBMVINYGBTJM-UHFFFAOYSA-N 1 1 406.530 4.333 20 30 HIEDMO CC(C)COc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048117899 849170448 /nfs/dbraw/zinc/17/04/48/849170448.db2.gz XZNBMVINYGBTJM-UHFFFAOYSA-N 1 1 406.530 4.333 20 30 HIEDMO COc1cc(OC)c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 ZINC000048747185 849262528 /nfs/dbraw/zinc/26/25/28/849262528.db2.gz DQXAZIQEXSPKFI-UHFFFAOYSA-N 1 1 418.493 4.453 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136861 849356906 /nfs/dbraw/zinc/35/69/06/849356906.db2.gz ZEIHTKJREMISQH-GOSISDBHSA-N 1 1 401.551 4.497 20 30 HIEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000053986383 849786430 /nfs/dbraw/zinc/78/64/30/849786430.db2.gz SXDKJDNHTWSELZ-GOSISDBHSA-N 1 1 402.498 4.283 20 30 HIEDMO COc1cccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)c1 ZINC000055172556 849981936 /nfs/dbraw/zinc/98/19/36/849981936.db2.gz PQAACTREBIAMHT-UHFFFAOYSA-N 1 1 418.566 4.398 20 30 HIEDMO CCCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000056747348 850464075 /nfs/dbraw/zinc/46/40/75/850464075.db2.gz ATFDJOLJMYPMJV-UHFFFAOYSA-N 1 1 406.530 4.395 20 30 HIEDMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057042236 850538619 /nfs/dbraw/zinc/53/86/19/850538619.db2.gz PPFSPHYZMRNUJD-HSZRJFAPSA-N 1 1 417.553 4.111 20 30 HIEDMO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Br ZINC000058580378 850861088 /nfs/dbraw/zinc/86/10/88/850861088.db2.gz UJIXDQVYYPMSLJ-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1Br ZINC000058580378 850861090 /nfs/dbraw/zinc/86/10/90/850861090.db2.gz UJIXDQVYYPMSLJ-UHFFFAOYSA-N 1 1 400.320 4.042 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000060467692 851109659 /nfs/dbraw/zinc/10/96/59/851109659.db2.gz QNFKZPLBCOCADK-GJZUVCINSA-N 1 1 418.537 4.070 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000060467692 851109664 /nfs/dbraw/zinc/10/96/64/851109664.db2.gz QNFKZPLBCOCADK-GJZUVCINSA-N 1 1 418.537 4.070 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000064738979 851973021 /nfs/dbraw/zinc/97/30/21/851973021.db2.gz WMZPQFKZDQDUMW-UHFFFAOYSA-N 1 1 405.542 4.330 20 30 HIEDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000065473113 852147204 /nfs/dbraw/zinc/14/72/04/852147204.db2.gz FPHQPKLNKVSRSK-UHFFFAOYSA-N 1 1 406.530 4.394 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000065613411 852198866 /nfs/dbraw/zinc/19/88/66/852198866.db2.gz GCGIUFDWYDVOAD-UHFFFAOYSA-N 1 1 421.541 4.123 20 30 HIEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1Br ZINC000105422521 852704558 /nfs/dbraw/zinc/70/45/58/852704558.db2.gz YQZLMJCDBZOYES-UHFFFAOYSA-N 1 1 418.360 4.332 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1Br ZINC000105422521 852704563 /nfs/dbraw/zinc/70/45/63/852704563.db2.gz YQZLMJCDBZOYES-UHFFFAOYSA-N 1 1 418.360 4.332 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000107715144 852789500 /nfs/dbraw/zinc/78/95/00/852789500.db2.gz CREZBGDCRNVSGO-LJQANCHMSA-N 1 1 407.583 4.340 20 30 HIEDMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000116912902 853337168 /nfs/dbraw/zinc/33/71/68/853337168.db2.gz KHVGVVKIZMAQPC-UHFFFAOYSA-N 1 1 409.458 4.080 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000139936720 853427171 /nfs/dbraw/zinc/42/71/71/853427171.db2.gz ZYEZDMCRMYEKKG-PGRDOPGGSA-N 1 1 411.571 4.052 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000140116344 853434550 /nfs/dbraw/zinc/43/45/50/853434550.db2.gz ZDENTJLWEJPXKR-NHCUHLMSSA-N 1 1 414.347 4.183 20 30 HIEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195612766 853714068 /nfs/dbraw/zinc/71/40/68/853714068.db2.gz TZJNCSXARHSTQU-FQEVSTJZSA-N 1 1 420.557 4.127 20 30 HIEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195612766 853714077 /nfs/dbraw/zinc/71/40/77/853714077.db2.gz TZJNCSXARHSTQU-FQEVSTJZSA-N 1 1 420.557 4.127 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000195630648 853725921 /nfs/dbraw/zinc/72/59/21/853725921.db2.gz HTLKAAPISWOCNU-UHFFFAOYSA-N 1 1 418.541 4.059 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](Nc4ccccc4)C3)sc2C1 ZINC000229550787 853891809 /nfs/dbraw/zinc/89/18/09/853891809.db2.gz WYZMUTDOIMMSMG-SJLPKXTDSA-N 1 1 408.571 4.260 20 30 HIEDMO N#Cc1cccc(COc2cccc(CNCC3([NH+]4CCCCC4)CCOCC3)c2)c1 ZINC000237853511 854108229 /nfs/dbraw/zinc/10/82/29/854108229.db2.gz WWKMOEFYQGPDFX-UHFFFAOYSA-N 1 1 419.569 4.262 20 30 HIEDMO Cc1nnc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295767 854350779 /nfs/dbraw/zinc/35/07/79/854350779.db2.gz RNYBTZXPVVRCSU-QFBILLFUSA-N 1 1 403.452 4.479 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301418020 854389147 /nfs/dbraw/zinc/38/91/47/854389147.db2.gz RKEVSOBIVZRRKH-UHFFFAOYSA-N 1 1 415.497 4.363 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000302938903 854688981 /nfs/dbraw/zinc/68/89/81/854688981.db2.gz KLGGQAZIQQFQPR-HDICACEKSA-N 1 1 409.496 4.114 20 30 HIEDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000303355499 854889464 /nfs/dbraw/zinc/88/94/64/854889464.db2.gz GBNNPAXZVRPGFH-QFIPXVFZSA-N 1 1 422.573 4.245 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000303355499 854889468 /nfs/dbraw/zinc/88/94/68/854889468.db2.gz GBNNPAXZVRPGFH-QFIPXVFZSA-N 1 1 422.573 4.245 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000303365557 854893552 /nfs/dbraw/zinc/89/35/52/854893552.db2.gz IKEXYIRBQDETEG-INIZCTEOSA-N 1 1 401.507 4.169 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000303365557 854893554 /nfs/dbraw/zinc/89/35/54/854893554.db2.gz IKEXYIRBQDETEG-INIZCTEOSA-N 1 1 401.507 4.169 20 30 HIEDMO CCC(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000303414585 854916079 /nfs/dbraw/zinc/91/60/79/854916079.db2.gz VVFQXEIAWTYCAO-PXNSSMCTSA-N 1 1 418.607 4.197 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000303685035 855131364 /nfs/dbraw/zinc/13/13/64/855131364.db2.gz LGLMCXQMLZWWLL-IBGZPJMESA-N 1 1 409.505 4.313 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)c1 ZINC000303821367 855223052 /nfs/dbraw/zinc/22/30/52/855223052.db2.gz FPSBNLGANRCZBN-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)c1 ZINC000303821367 855223060 /nfs/dbraw/zinc/22/30/60/855223060.db2.gz FPSBNLGANRCZBN-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO N#CC1(CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCOCC1 ZINC000410306894 855918661 /nfs/dbraw/zinc/91/86/61/855918661.db2.gz CQKCMRLGJIVBJB-UHFFFAOYSA-N 1 1 403.570 4.494 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000425976258 856025586 /nfs/dbraw/zinc/02/55/86/856025586.db2.gz PRLOHODKOUTDPR-HXUWFJFHSA-N 1 1 405.477 4.041 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCN(c4cc(C5CC5)[nH]n4)CC3)c2)c1 ZINC000428402982 857192158 /nfs/dbraw/zinc/19/21/58/857192158.db2.gz OEWAXQQHRFIBQE-UHFFFAOYSA-N 1 1 413.525 4.060 20 30 HIEDMO OC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(F)c1 ZINC000429002420 857451120 /nfs/dbraw/zinc/45/11/20/857451120.db2.gz HOMTVWPGGGRKPI-KRWDZBQOSA-N 1 1 416.212 4.282 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429246885 857572490 /nfs/dbraw/zinc/57/24/90/857572490.db2.gz UNOCHNIIAWSPGR-HNNXBMFYSA-N 1 1 412.515 4.310 20 30 HIEDMO CSC[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429277412 857587647 /nfs/dbraw/zinc/58/76/47/857587647.db2.gz VPQSUCYMPSLIGE-GOSISDBHSA-N 1 1 414.575 4.022 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188660 858073540 /nfs/dbraw/zinc/07/35/40/858073540.db2.gz UWDCWGPZAMXHBK-GOSISDBHSA-N 1 1 406.467 4.243 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(SCC#N)c1 ZINC000430690744 858270718 /nfs/dbraw/zinc/27/07/18/858270718.db2.gz HMRHNCXNJUHSQJ-UHFFFAOYSA-N 1 1 405.523 4.457 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(SCC#N)c1 ZINC000430690744 858270726 /nfs/dbraw/zinc/27/07/26/858270726.db2.gz HMRHNCXNJUHSQJ-UHFFFAOYSA-N 1 1 405.523 4.457 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000430742171 858284020 /nfs/dbraw/zinc/28/40/20/858284020.db2.gz OCJLQANLMLOZPB-VQIMIIECSA-N 1 1 420.582 4.335 20 30 HIEDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@H](C)O2 ZINC000430765095 858296434 /nfs/dbraw/zinc/29/64/34/858296434.db2.gz DUSWLHZAWUOWHM-RNHFSVANSA-N 1 1 406.526 4.296 20 30 HIEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000431304029 858555310 /nfs/dbraw/zinc/55/53/10/858555310.db2.gz CVJOWPCKGUHUJO-SGNDLWITSA-N 1 1 420.557 4.183 20 30 HIEDMO CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000431304029 858555316 /nfs/dbraw/zinc/55/53/16/858555316.db2.gz CVJOWPCKGUHUJO-SGNDLWITSA-N 1 1 420.557 4.183 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700318 858749845 /nfs/dbraw/zinc/74/98/45/858749845.db2.gz VBNPCNWFSNHNMZ-SIKLNZKXSA-N 1 1 422.529 4.346 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935164 858877164 /nfs/dbraw/zinc/87/71/64/858877164.db2.gz GFYDQZSQFKIFDZ-VWNXMTODSA-N 1 1 404.558 4.285 20 30 HIEDMO C[C@@H](c1cccc(NCC#Cc2ccc(OC(F)(F)F)cc2)c1)[NH+]1CCOCC1 ZINC000433489802 859729839 /nfs/dbraw/zinc/72/98/39/859729839.db2.gz SRHBPXZPFJBEFQ-KRWDZBQOSA-N 1 1 404.432 4.442 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000434312764 860273333 /nfs/dbraw/zinc/27/33/33/860273333.db2.gz POXFITFQRJCCIT-QFIPXVFZSA-N 1 1 416.525 4.456 20 30 HIEDMO N#CCCn1cc(C(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc21 ZINC000434684426 860459344 /nfs/dbraw/zinc/45/93/44/860459344.db2.gz IMMSCVMVTNYWPL-UHFFFAOYSA-N 1 1 415.541 4.150 20 30 HIEDMO C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000434903474 860548060 /nfs/dbraw/zinc/54/80/60/860548060.db2.gz ATALRQNRIPELAH-RUZDIDTESA-N 1 1 413.525 4.027 20 30 HIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000434903474 860548063 /nfs/dbraw/zinc/54/80/63/860548063.db2.gz ATALRQNRIPELAH-RUZDIDTESA-N 1 1 413.525 4.027 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000434985865 860585917 /nfs/dbraw/zinc/58/59/17/860585917.db2.gz KZQOGIJGOUUTPJ-GOTSBHOMSA-N 1 1 419.504 4.350 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000467765689 881583963 /nfs/dbraw/zinc/58/39/63/881583963.db2.gz AYRYZJZWPSMWCL-QHCPKHFHSA-N 1 1 407.876 4.346 20 30 HIEDMO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000438003197 863363889 /nfs/dbraw/zinc/36/38/89/863363889.db2.gz VUFXCUUTKASGGO-MRXNPFEDSA-N 1 1 414.456 4.288 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COCc2cccs2)cc1 ZINC000438728685 864212607 /nfs/dbraw/zinc/21/26/07/864212607.db2.gz CATIALWOJMPVQS-QFIPXVFZSA-N 1 1 410.514 4.339 20 30 HIEDMO Cc1ccc(-c2cnc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 ZINC000439012618 864463887 /nfs/dbraw/zinc/46/38/87/864463887.db2.gz YGMXDUPZUHZFSI-UHFFFAOYSA-N 1 1 400.482 4.372 20 30 HIEDMO CC[C@](C)(O)C[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000439277079 864694706 /nfs/dbraw/zinc/69/47/06/864694706.db2.gz RQBOFKXNEZSGLY-VWLOTQADSA-N 1 1 407.558 4.213 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315948 864749619 /nfs/dbraw/zinc/74/96/19/864749619.db2.gz QEACFCQDPMHTRC-MBSDFSHPSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315948 864749637 /nfs/dbraw/zinc/74/96/37/864749637.db2.gz QEACFCQDPMHTRC-MBSDFSHPSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315946 864750189 /nfs/dbraw/zinc/75/01/89/864750189.db2.gz QEACFCQDPMHTRC-FDDCHVKYSA-N 1 1 405.546 4.221 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000439315946 864750202 /nfs/dbraw/zinc/75/02/02/864750202.db2.gz QEACFCQDPMHTRC-FDDCHVKYSA-N 1 1 405.546 4.221 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557397 864883645 /nfs/dbraw/zinc/88/36/45/864883645.db2.gz MBWCFHCKRDLWNA-YADHBBJMSA-N 1 1 418.585 4.486 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557397 864883651 /nfs/dbraw/zinc/88/36/51/864883651.db2.gz MBWCFHCKRDLWNA-YADHBBJMSA-N 1 1 418.585 4.486 20 30 HIEDMO CCCc1c(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439693388 865029315 /nfs/dbraw/zinc/02/93/15/865029315.db2.gz LGIRZSCWESYAQO-FQEVSTJZSA-N 1 1 420.561 4.082 20 30 HIEDMO COc1cc(CNc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)ccc1C#N ZINC000440625583 865845741 /nfs/dbraw/zinc/84/57/41/865845741.db2.gz PDPXGAWWPKRYCW-MRXNPFEDSA-N 1 1 410.493 4.131 20 30 HIEDMO CCOc1ccccc1C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000440666019 865860841 /nfs/dbraw/zinc/86/08/41/865860841.db2.gz GRCSYBLVYSLNFZ-HNNXBMFYSA-N 1 1 404.436 4.081 20 30 HIEDMO CCOc1ccccc1C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000440666019 865860842 /nfs/dbraw/zinc/86/08/42/865860842.db2.gz GRCSYBLVYSLNFZ-HNNXBMFYSA-N 1 1 404.436 4.081 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000440982179 866064065 /nfs/dbraw/zinc/06/40/65/866064065.db2.gz ALJJHKVLKSEMAP-OVSDUUTQSA-N 1 1 406.933 4.101 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000440982185 866064671 /nfs/dbraw/zinc/06/46/71/866064671.db2.gz ALJJHKVLKSEMAP-VQIVBJKUSA-N 1 1 406.933 4.101 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441033233 866096642 /nfs/dbraw/zinc/09/66/42/866096642.db2.gz MNRPHALVWLIFIR-LLGFUMIMSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441033233 866096655 /nfs/dbraw/zinc/09/66/55/866096655.db2.gz MNRPHALVWLIFIR-LLGFUMIMSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059494 866140090 /nfs/dbraw/zinc/14/00/90/866140090.db2.gz HBHAZUALLYKHSE-UONOGXRCSA-N 1 1 414.497 4.072 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059494 866140096 /nfs/dbraw/zinc/14/00/96/866140096.db2.gz HBHAZUALLYKHSE-UONOGXRCSA-N 1 1 414.497 4.072 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441232865 866307987 /nfs/dbraw/zinc/30/79/87/866307987.db2.gz SSIARSWWBPOOSM-WOJBJXKFSA-N 1 1 412.578 4.169 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000441290042 866364048 /nfs/dbraw/zinc/36/40/48/866364048.db2.gz WWCDYCFVBLONCF-HTAPYJJXSA-N 1 1 406.505 4.034 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1C ZINC000441358301 866426882 /nfs/dbraw/zinc/42/68/82/866426882.db2.gz PJBTXUIUVMIMQR-HSZRJFAPSA-N 1 1 405.542 4.089 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368532 866437755 /nfs/dbraw/zinc/43/77/55/866437755.db2.gz ZPWRJQVPUSGEHE-GOTSBHOMSA-N 1 1 410.558 4.067 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368534 866438063 /nfs/dbraw/zinc/43/80/63/866438063.db2.gz ZPWRJQVPUSGEHE-PKTZIBPZSA-N 1 1 410.558 4.067 20 30 HIEDMO C=CCC[C@H](NC(=O)N1CC[NH+](CCOCC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442287668 867308427 /nfs/dbraw/zinc/30/84/27/867308427.db2.gz BOVOFCOMMWJSRJ-IBGZPJMESA-N 1 1 413.484 4.076 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800994 867679319 /nfs/dbraw/zinc/67/93/19/867679319.db2.gz LLQPMLPFJWQUJD-INIZCTEOSA-N 1 1 415.419 4.008 20 30 HIEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442893619 867726505 /nfs/dbraw/zinc/72/65/05/867726505.db2.gz TVROYWZFIRCNDZ-MRXNPFEDSA-N 1 1 413.381 4.086 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961567 867765907 /nfs/dbraw/zinc/76/59/07/867765907.db2.gz BJZFZRMPHSTPBI-PXNSSMCTSA-N 1 1 417.431 4.096 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c2cccc(Cl)c2)cc1 ZINC000443455280 868043387 /nfs/dbraw/zinc/04/33/87/868043387.db2.gz RBQHGZJZTJBINO-UZUQRXQVSA-N 1 1 413.949 4.426 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c2cccc(Cl)c2)cc1 ZINC000443455278 868044360 /nfs/dbraw/zinc/04/43/60/868044360.db2.gz RBQHGZJZTJBINO-SBUREZEXSA-N 1 1 413.949 4.426 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1Cl ZINC000443660288 868265763 /nfs/dbraw/zinc/26/57/63/868265763.db2.gz QWQLQLUIZSMNSO-AWEZNQCLSA-N 1 1 412.852 4.310 20 30 HIEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1Cl ZINC000443660288 868265786 /nfs/dbraw/zinc/26/57/86/868265786.db2.gz QWQLQLUIZSMNSO-AWEZNQCLSA-N 1 1 412.852 4.310 20 30 HIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444233982 868682798 /nfs/dbraw/zinc/68/27/98/868682798.db2.gz CBBWBAJAENXUMA-ROUUACIJSA-N 1 1 411.571 4.448 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)(c1ccccc1)c1ccccc1 ZINC000444609904 868902965 /nfs/dbraw/zinc/90/29/65/868902965.db2.gz NOKCYFHXSKZWOC-NRFANRHFSA-N 1 1 411.553 4.304 20 30 HIEDMO N#CC(CC[N@H+]1CCCC[C@@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000444649135 868931567 /nfs/dbraw/zinc/93/15/67/868931567.db2.gz IRVNHURRCKETOD-RUZDIDTESA-N 1 1 403.570 4.073 20 30 HIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000444663706 868942422 /nfs/dbraw/zinc/94/24/22/868942422.db2.gz LAIZXXMGFOUAIU-GOTSBHOMSA-N 1 1 410.583 4.174 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000444663706 868942433 /nfs/dbraw/zinc/94/24/33/868942433.db2.gz LAIZXXMGFOUAIU-GOTSBHOMSA-N 1 1 410.583 4.174 20 30 HIEDMO CCC[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1CCOC ZINC000444688473 868958240 /nfs/dbraw/zinc/95/82/40/868958240.db2.gz KCBODKUKMOWZIP-VWLOTQADSA-N 1 1 405.586 4.319 20 30 HIEDMO CCC[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CCOC ZINC000444688473 868958244 /nfs/dbraw/zinc/95/82/44/868958244.db2.gz KCBODKUKMOWZIP-VWLOTQADSA-N 1 1 405.586 4.319 20 30 HIEDMO CCC[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CCOC ZINC000444688473 868958249 /nfs/dbraw/zinc/95/82/49/868958249.db2.gz KCBODKUKMOWZIP-VWLOTQADSA-N 1 1 405.586 4.319 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000444726561 868979711 /nfs/dbraw/zinc/97/97/11/868979711.db2.gz AZSBJZROJMOLJN-ZBFHGGJFSA-N 1 1 407.358 4.097 20 30 HIEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776383 868998066 /nfs/dbraw/zinc/99/80/66/868998066.db2.gz CLPDIMGLHBGTLO-SFHVURJKSA-N 1 1 401.507 4.329 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000444793394 869011458 /nfs/dbraw/zinc/01/14/58/869011458.db2.gz PJNOKRMENQNBPG-LJQANCHMSA-N 1 1 422.577 4.033 20 30 HIEDMO COc1ccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCOCC2)cc1F ZINC000444797899 869013488 /nfs/dbraw/zinc/01/34/88/869013488.db2.gz DSOCRDNTAGRHLL-UHFFFAOYSA-N 1 1 419.294 4.264 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cc(C(C)(C)C)n[nH]3)sc2C1 ZINC000447403308 871314060 /nfs/dbraw/zinc/31/40/60/871314060.db2.gz DLYOCQQLLMGNPE-CQSZACIVSA-N 1 1 413.591 4.226 20 30 HIEDMO N#C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000447730267 871677955 /nfs/dbraw/zinc/67/79/55/871677955.db2.gz QXVMYDKNRHPYSI-BVZFJXPGSA-N 1 1 413.452 4.463 20 30 HIEDMO N#C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000447730267 871677980 /nfs/dbraw/zinc/67/79/80/871677980.db2.gz QXVMYDKNRHPYSI-BVZFJXPGSA-N 1 1 413.452 4.463 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448201659 872092289 /nfs/dbraw/zinc/09/22/89/872092289.db2.gz HURSEIZEHSIFJQ-BWKNWUBXSA-N 1 1 415.537 4.226 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000448314960 872250383 /nfs/dbraw/zinc/25/03/83/872250383.db2.gz VSCCJLHXDTXHIK-JOCHJYFZSA-N 1 1 405.542 4.235 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448450854 872396931 /nfs/dbraw/zinc/39/69/31/872396931.db2.gz WGAYNWSWTCZFSS-RDPSFJRHSA-N 1 1 400.526 4.391 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460195409 872769093 /nfs/dbraw/zinc/76/90/93/872769093.db2.gz IAQHLOJZOFFXJO-CVDCTZTESA-N 1 1 414.557 4.326 20 30 HIEDMO CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460284500 872873445 /nfs/dbraw/zinc/87/34/45/872873445.db2.gz QNTYGIHQCBYJQA-UHFFFAOYSA-N 1 1 420.948 4.202 20 30 HIEDMO CSCC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000460346959 872964895 /nfs/dbraw/zinc/96/48/95/872964895.db2.gz BRSARSKQIBFYBJ-QGZVFWFLSA-N 1 1 404.461 4.184 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460380207 873021446 /nfs/dbraw/zinc/02/14/46/873021446.db2.gz MDWFNCILHIJNAU-GCJKJVERSA-N 1 1 406.578 4.093 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460572892 873306853 /nfs/dbraw/zinc/30/68/53/873306853.db2.gz CEDNFRNZRPQIGJ-ITTUMRLJSA-N 1 1 409.578 4.051 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460572888 873307370 /nfs/dbraw/zinc/30/73/70/873307370.db2.gz CEDNFRNZRPQIGJ-CUXKYVRBSA-N 1 1 409.578 4.051 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460786519 873645088 /nfs/dbraw/zinc/64/50/88/873645088.db2.gz KCXITTYUFGLQNS-SJLPKXTDSA-N 1 1 417.985 4.492 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460810553 873688741 /nfs/dbraw/zinc/68/87/41/873688741.db2.gz DADCBDPTWXBGIP-PZJWPPBQSA-N 1 1 406.578 4.024 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460935814 873836163 /nfs/dbraw/zinc/83/61/63/873836163.db2.gz WXRPMBKXCHTHIP-VQTJNVASSA-N 1 1 402.546 4.015 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460935812 873836579 /nfs/dbraw/zinc/83/65/79/873836579.db2.gz WXRPMBKXCHTHIP-PMACEKPBSA-N 1 1 402.546 4.015 20 30 HIEDMO N#CCC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460936921 873837316 /nfs/dbraw/zinc/83/73/16/873837316.db2.gz ZYUDUSOYSQDTPF-SMIHKQSGSA-N 1 1 402.542 4.195 20 30 HIEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460947308 873845673 /nfs/dbraw/zinc/84/56/73/873845673.db2.gz QUHQZYVVCXQLBQ-UHFFFAOYSA-N 1 1 423.605 4.103 20 30 HIEDMO CC1(C)OCc2cc(C[NH+]3CCN(c4c(C#N)cnc5ccccc54)CC3)ccc2O1 ZINC000468754323 882844493 /nfs/dbraw/zinc/84/44/93/882844493.db2.gz ABSCVRBGDIQBLH-UHFFFAOYSA-N 1 1 414.509 4.074 20 30 HIEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000461581578 874687853 /nfs/dbraw/zinc/68/78/53/874687853.db2.gz HPTIXCCFPZNXLH-IBGZPJMESA-N 1 1 419.525 4.114 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000461985939 875104924 /nfs/dbraw/zinc/10/49/24/875104924.db2.gz OOJBOGYOPXLIJJ-SFHVURJKSA-N 1 1 404.514 4.033 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462258141 875382003 /nfs/dbraw/zinc/38/20/03/875382003.db2.gz QRPRXEQIUHKUPD-NRYAXDJKSA-N 1 1 404.558 4.124 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462258141 875382017 /nfs/dbraw/zinc/38/20/17/875382017.db2.gz QRPRXEQIUHKUPD-NRYAXDJKSA-N 1 1 404.558 4.124 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463201305 876260286 /nfs/dbraw/zinc/26/02/86/876260286.db2.gz DMVJLHNUQFDQIP-VURPSTOHSA-N 1 1 415.603 4.282 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCCOc3ccccc3)C3CCOCC3)o2)c1 ZINC000464589790 877815127 /nfs/dbraw/zinc/81/51/27/877815127.db2.gz WVKZKTGUWJXDCQ-UHFFFAOYSA-N 1 1 418.497 4.058 20 30 HIEDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]2CCCO2)cc1 ZINC000464771212 878015244 /nfs/dbraw/zinc/01/52/44/878015244.db2.gz CIHDTTRZSQPQIH-JOCHJYFZSA-N 1 1 402.498 4.140 20 30 HIEDMO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464781411 878028986 /nfs/dbraw/zinc/02/89/86/878028986.db2.gz ZEXXXPXECQWINE-GOSISDBHSA-N 1 1 411.546 4.160 20 30 HIEDMO C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464781411 878029005 /nfs/dbraw/zinc/02/90/05/878029005.db2.gz ZEXXXPXECQWINE-GOSISDBHSA-N 1 1 411.546 4.160 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829891 878085494 /nfs/dbraw/zinc/08/54/94/878085494.db2.gz OXUJJACADKKQRR-AZUAARDMSA-N 1 1 404.539 4.209 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829891 878085504 /nfs/dbraw/zinc/08/55/04/878085504.db2.gz OXUJJACADKKQRR-AZUAARDMSA-N 1 1 404.539 4.209 20 30 HIEDMO C=CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000464944771 878280584 /nfs/dbraw/zinc/28/05/84/878280584.db2.gz PRPOKDMNCUVXAZ-NRFANRHFSA-N 1 1 408.542 4.244 20 30 HIEDMO C=CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000464944772 878281083 /nfs/dbraw/zinc/28/10/83/878281083.db2.gz PRPOKDMNCUVXAZ-OAQYLSRUSA-N 1 1 408.542 4.244 20 30 HIEDMO C[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000465632716 879144501 /nfs/dbraw/zinc/14/45/01/879144501.db2.gz LOLBFBJZTOLOFT-FQEVSTJZSA-N 1 1 422.598 4.097 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000465887069 879541756 /nfs/dbraw/zinc/54/17/56/879541756.db2.gz GUHYWLLQFXZPMH-QLBJFCOMSA-N 1 1 416.569 4.032 20 30 HIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000503488578 912533222 /nfs/dbraw/zinc/53/32/22/912533222.db2.gz NZECGDIIWKXGDT-IBGZPJMESA-N 1 1 410.493 4.130 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265988 881004820 /nfs/dbraw/zinc/00/48/20/881004820.db2.gz LJKXGCJKJDQKQW-UHFFFAOYSA-N 1 1 403.320 4.102 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265988 881004836 /nfs/dbraw/zinc/00/48/36/881004836.db2.gz LJKXGCJKJDQKQW-UHFFFAOYSA-N 1 1 403.320 4.102 20 30 HIEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469372097 883497951 /nfs/dbraw/zinc/49/79/51/883497951.db2.gz WAQSARVTIMQASJ-QFIPXVFZSA-N 1 1 402.498 4.357 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442302 883635867 /nfs/dbraw/zinc/63/58/67/883635867.db2.gz GWHSRFRKTMZKDS-VBSBHUPXSA-N 1 1 410.480 4.186 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)sc2c1CCC2 ZINC000469452718 883655836 /nfs/dbraw/zinc/65/58/36/883655836.db2.gz QMRYRWUXOXUPRG-CYBMUJFWSA-N 1 1 401.482 4.205 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592405 883827991 /nfs/dbraw/zinc/82/79/91/883827991.db2.gz FQBLEWSMXNCLHA-QGZVFWFLSA-N 1 1 412.509 4.076 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)c(F)c1 ZINC000470170111 884448388 /nfs/dbraw/zinc/44/83/88/884448388.db2.gz OTQGDCICQNIBOL-XALAGWIPSA-N 1 1 418.560 4.451 20 30 HIEDMO Cc1cccc(NC2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000470220076 884547728 /nfs/dbraw/zinc/54/77/28/884547728.db2.gz WRKMXGDYJVXYMB-UHFFFAOYSA-N 1 1 410.949 4.472 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471004517 885505297 /nfs/dbraw/zinc/50/52/97/885505297.db2.gz HYCXDYZMWUOOPL-IBGZPJMESA-N 1 1 406.452 4.278 20 30 HIEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000471146346 885691717 /nfs/dbraw/zinc/69/17/17/885691717.db2.gz ZEKXVPJFQLDLOH-VWLOTQADSA-N 1 1 410.521 4.321 20 30 HIEDMO COc1cc(C[N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)ccc1O ZINC000471162498 885717580 /nfs/dbraw/zinc/71/75/80/885717580.db2.gz PURSGNKNPMTQOA-UHFFFAOYSA-N 1 1 418.493 4.492 20 30 HIEDMO CSCC[C@H](C)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472238123 887045200 /nfs/dbraw/zinc/04/52/00/887045200.db2.gz JMJKXGUZLBFXSE-HNNXBMFYSA-N 1 1 402.564 4.020 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1 ZINC000472573664 887458573 /nfs/dbraw/zinc/45/85/73/887458573.db2.gz JAJMIXYHGQUPEP-NRFANRHFSA-N 1 1 416.550 4.446 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1 ZINC000472573664 887458577 /nfs/dbraw/zinc/45/85/77/887458577.db2.gz JAJMIXYHGQUPEP-NRFANRHFSA-N 1 1 416.550 4.446 20 30 HIEDMO Cc1cc(CN2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)on1 ZINC000472760151 887606834 /nfs/dbraw/zinc/60/68/34/887606834.db2.gz RRXKCXUBYPLYOS-UHFFFAOYSA-N 1 1 400.526 4.001 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473013060 887840358 /nfs/dbraw/zinc/84/03/58/887840358.db2.gz ZQMIRNVIOLNWSA-HXUWFJFHSA-N 1 1 420.557 4.022 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000504421197 913235906 /nfs/dbraw/zinc/23/59/06/913235906.db2.gz FBNHOHYSROFUAL-GZOXUSKESA-N 1 1 419.569 4.017 20 30 HIEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000473668178 888425753 /nfs/dbraw/zinc/42/57/53/888425753.db2.gz ZNNCVRMDOBZFBB-UHFFFAOYSA-N 1 1 412.921 4.349 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473989386 888851461 /nfs/dbraw/zinc/85/14/61/888851461.db2.gz ZWVZKXZWOOQWQW-LJQANCHMSA-N 1 1 419.529 4.006 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000474169394 889008539 /nfs/dbraw/zinc/00/85/39/889008539.db2.gz CFQYVHRBUMKBFG-UHFFFAOYSA-N 1 1 401.532 4.266 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000474235275 889080202 /nfs/dbraw/zinc/08/02/02/889080202.db2.gz UYPIOLVAFNKVLP-UHFFFAOYSA-N 1 1 401.432 4.073 20 30 HIEDMO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000474273650 889138110 /nfs/dbraw/zinc/13/81/10/889138110.db2.gz DYPUPCGQZHHLSE-DEOSSOPVSA-N 1 1 414.505 4.238 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)cc1 ZINC000504547281 913325374 /nfs/dbraw/zinc/32/53/74/913325374.db2.gz QIQVXIMXSKGWOQ-UHFFFAOYSA-N 1 1 423.376 4.214 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](CCNC(C)=O)Cc2ccc(Br)s2)cc1 ZINC000504547281 913325392 /nfs/dbraw/zinc/32/53/92/913325392.db2.gz QIQVXIMXSKGWOQ-UHFFFAOYSA-N 1 1 423.376 4.214 20 30 HIEDMO N#CC[C@@H](CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000475184729 890053993 /nfs/dbraw/zinc/05/39/93/890053993.db2.gz UMWAURHOBGMEJU-NRFANRHFSA-N 1 1 424.976 4.056 20 30 HIEDMO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312401 890227205 /nfs/dbraw/zinc/22/72/05/890227205.db2.gz XZBAFCRSOVECNV-QFIPXVFZSA-N 1 1 412.493 4.092 20 30 HIEDMO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475315165 890230106 /nfs/dbraw/zinc/23/01/06/890230106.db2.gz IZXZHUYMRVSATA-OAQYLSRUSA-N 1 1 415.493 4.077 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396494 890323757 /nfs/dbraw/zinc/32/37/57/890323757.db2.gz IJMVYEQAPSZPIN-UPVQGACJSA-N 1 1 420.532 4.251 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578321 890508587 /nfs/dbraw/zinc/50/85/87/890508587.db2.gz ABDMSFXPSMYLHW-LPHOPBHVSA-N 1 1 417.962 4.058 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000475579702 890510052 /nfs/dbraw/zinc/51/00/52/890510052.db2.gz CCUBEAYUCPBACO-VXKWHMMOSA-N 1 1 407.558 4.295 20 30 HIEDMO N#CCC[C@@H](C#N)C[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475682496 890623884 /nfs/dbraw/zinc/62/38/84/890623884.db2.gz RPESYLRYHOOBBH-QFBILLFUSA-N 1 1 422.392 4.469 20 30 HIEDMO N#CCC[C@@H](C#N)C[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475682496 890623893 /nfs/dbraw/zinc/62/38/93/890623893.db2.gz RPESYLRYHOOBBH-QFBILLFUSA-N 1 1 422.392 4.469 20 30 HIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000476762704 891735781 /nfs/dbraw/zinc/73/57/81/891735781.db2.gz DHQPWJTZYKHXQN-KMFTYDHNSA-N 1 1 412.578 4.058 20 30 HIEDMO N#Cc1ccc(CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C2CC2)cc1 ZINC000477224467 892159569 /nfs/dbraw/zinc/15/95/69/892159569.db2.gz SUVMKQKNXJNMAF-WINZOAQQSA-N 1 1 414.553 4.428 20 30 HIEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477288430 892246158 /nfs/dbraw/zinc/24/61/58/892246158.db2.gz GHQOJDPEBFUPMO-QHCPKHFHSA-N 1 1 408.521 4.284 20 30 HIEDMO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477409682 892362847 /nfs/dbraw/zinc/36/28/47/892362847.db2.gz YKDSPIXVRUOEDZ-YUVSOPLDSA-N 1 1 420.557 4.068 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482446 892470714 /nfs/dbraw/zinc/47/07/14/892470714.db2.gz IJOBTMVTKAUYJF-SFHVURJKSA-N 1 1 423.538 4.393 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000477753419 892845279 /nfs/dbraw/zinc/84/52/79/892845279.db2.gz FEDWKLWVFRRSDD-UHFFFAOYSA-N 1 1 412.921 4.220 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477829134 892892890 /nfs/dbraw/zinc/89/28/90/892892890.db2.gz SDHZGUMJZZGBGZ-QGZVFWFLSA-N 1 1 410.493 4.272 20 30 HIEDMO Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000477934896 893024241 /nfs/dbraw/zinc/02/42/41/893024241.db2.gz FXEJLIOLODKQJF-FQEVSTJZSA-N 1 1 408.550 4.090 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000477984595 893085011 /nfs/dbraw/zinc/08/50/11/893085011.db2.gz KVSMRQAKLFOBGB-FFZOFVMBSA-N 1 1 401.576 4.299 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C12CCC2 ZINC000477984595 893085032 /nfs/dbraw/zinc/08/50/32/893085032.db2.gz KVSMRQAKLFOBGB-FFZOFVMBSA-N 1 1 401.576 4.299 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036483 893168087 /nfs/dbraw/zinc/16/80/87/893168087.db2.gz KZBAMUPKQUMVNP-MJGOQNOKSA-N 1 1 416.587 4.192 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478052027 893199869 /nfs/dbraw/zinc/19/98/69/893199869.db2.gz FCMVGDMSGFWOGY-INIZCTEOSA-N 1 1 402.608 4.152 20 30 HIEDMO Cn1cc([C@H]([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000478307698 893528833 /nfs/dbraw/zinc/52/88/33/893528833.db2.gz PDBMJIGHSSWLBG-HXUWFJFHSA-N 1 1 403.379 4.189 20 30 HIEDMO Cc1nc(-c2cccs2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479256147 894523516 /nfs/dbraw/zinc/52/35/16/894523516.db2.gz YMOPBHHQRGKCGK-UHFFFAOYSA-N 1 1 422.579 4.468 20 30 HIEDMO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OCCCC#N ZINC000479416549 894727446 /nfs/dbraw/zinc/72/74/46/894727446.db2.gz FDMHXECAIHBLAV-HSZRJFAPSA-N 1 1 408.477 4.130 20 30 HIEDMO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000479955670 895309426 /nfs/dbraw/zinc/30/94/26/895309426.db2.gz FWNZOTIBHFULML-LJQANCHMSA-N 1 1 419.525 4.128 20 30 HIEDMO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000479955670 895309435 /nfs/dbraw/zinc/30/94/35/895309435.db2.gz FWNZOTIBHFULML-LJQANCHMSA-N 1 1 419.525 4.128 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(Br)c1 ZINC000481053321 896376230 /nfs/dbraw/zinc/37/62/30/896376230.db2.gz JGBIWEHCTITMOK-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185375 896529224 /nfs/dbraw/zinc/52/92/24/896529224.db2.gz UWVGAVZGJMKEGG-HYFFOGBASA-N 1 1 410.949 4.039 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185375 896529233 /nfs/dbraw/zinc/52/92/33/896529233.db2.gz UWVGAVZGJMKEGG-HYFFOGBASA-N 1 1 410.949 4.039 20 30 HIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185844 896533364 /nfs/dbraw/zinc/53/33/64/896533364.db2.gz UWVGAVZGJMKEGG-PNLZDCPESA-N 1 1 410.949 4.039 20 30 HIEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185844 896533383 /nfs/dbraw/zinc/53/33/83/896533383.db2.gz UWVGAVZGJMKEGG-PNLZDCPESA-N 1 1 410.949 4.039 20 30 HIEDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC000481221391 896573213 /nfs/dbraw/zinc/57/32/13/896573213.db2.gz BDKGSBKUXSDYKO-CQSZACIVSA-N 1 1 419.319 4.205 20 30 HIEDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000481398308 896804893 /nfs/dbraw/zinc/80/48/93/896804893.db2.gz DXMOKOKIVQFCRB-XMMPIXPASA-N 1 1 409.493 4.153 20 30 HIEDMO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481452686 896848375 /nfs/dbraw/zinc/84/83/75/896848375.db2.gz SYQKJZSUPNTWDS-LJQANCHMSA-N 1 1 408.550 4.102 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481597853 896978345 /nfs/dbraw/zinc/97/83/45/896978345.db2.gz KYUDGLNDQSNLBY-HXPMCKFVSA-N 1 1 405.401 4.116 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000481622340 897006464 /nfs/dbraw/zinc/00/64/64/897006464.db2.gz IHISXFZJCZKZHB-FQEVSTJZSA-N 1 1 405.542 4.379 20 30 HIEDMO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2OC)o1 ZINC000481929596 897313975 /nfs/dbraw/zinc/31/39/75/897313975.db2.gz XCXYPUFCLDXQNH-UHFFFAOYSA-N 1 1 420.465 4.157 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccc4ccccc4c3)CC2)cc1 ZINC000505475717 914153729 /nfs/dbraw/zinc/15/37/29/914153729.db2.gz FKAOIMCQDFKMEW-UHFFFAOYSA-N 1 1 412.537 4.171 20 30 HIEDMO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000482013502 897412933 /nfs/dbraw/zinc/41/29/33/897412933.db2.gz VQSAYLZSINABTR-UHFFFAOYSA-N 1 1 402.473 4.090 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000482098624 897544255 /nfs/dbraw/zinc/54/42/55/897544255.db2.gz LJFHOPJBUDURLE-KNQAVFIVSA-N 1 1 405.542 4.227 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262461 897746685 /nfs/dbraw/zinc/74/66/85/897746685.db2.gz CKDOMNFFAFUTPY-WDJPJFJCSA-N 1 1 402.542 4.315 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482981864 898619487 /nfs/dbraw/zinc/61/94/87/898619487.db2.gz LLMNYYZOSOJLEL-KBPBESRZSA-N 1 1 408.365 4.160 20 30 HIEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000483258457 898901030 /nfs/dbraw/zinc/90/10/30/898901030.db2.gz YRHBERYGQNSDBT-MRXNPFEDSA-N 1 1 417.200 4.302 20 30 HIEDMO Cn1cc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1C#N ZINC000483271981 898910745 /nfs/dbraw/zinc/91/07/45/898910745.db2.gz OOQVRMKPLJOEDA-UHFFFAOYSA-N 1 1 403.461 4.238 20 30 HIEDMO Cn1cc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1C#N ZINC000483271981 898910748 /nfs/dbraw/zinc/91/07/48/898910748.db2.gz OOQVRMKPLJOEDA-UHFFFAOYSA-N 1 1 403.461 4.238 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383944 899018391 /nfs/dbraw/zinc/01/83/91/899018391.db2.gz QUICVTDPJZSJOE-YADHBBJMSA-N 1 1 420.532 4.251 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1F ZINC000483954512 899605525 /nfs/dbraw/zinc/60/55/25/899605525.db2.gz LCWKYYIWFXZGOV-HNNXBMFYSA-N 1 1 403.383 4.138 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000505692083 914381576 /nfs/dbraw/zinc/38/15/76/914381576.db2.gz OWNDWTDHRHZLGD-PKTZIBPZSA-N 1 1 404.514 4.080 20 30 HIEDMO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162926 900461994 /nfs/dbraw/zinc/46/19/94/900461994.db2.gz SQADNZDRFUNOJM-SJLPKXTDSA-N 1 1 401.470 4.337 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485306404 900584418 /nfs/dbraw/zinc/58/44/18/900584418.db2.gz RECGSRSEDPTCLK-OFNKIYASSA-N 1 1 422.960 4.137 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485306400 900584566 /nfs/dbraw/zinc/58/45/66/900584566.db2.gz RECGSRSEDPTCLK-NFBKMPQASA-N 1 1 422.960 4.137 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335663 900622043 /nfs/dbraw/zinc/62/20/43/900622043.db2.gz PEIFGSGUKKZMTB-HARLFGEKSA-N 1 1 420.557 4.082 20 30 HIEDMO Cc1sc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337787 900626770 /nfs/dbraw/zinc/62/67/70/900626770.db2.gz PHHAGWIDNIPDOR-IRLDBZIGSA-N 1 1 422.598 4.162 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485924272 901150539 /nfs/dbraw/zinc/15/05/39/901150539.db2.gz YPIIRNJXIFHFQW-MRXNPFEDSA-N 1 1 408.571 4.168 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485924272 901150546 /nfs/dbraw/zinc/15/05/46/901150546.db2.gz YPIIRNJXIFHFQW-MRXNPFEDSA-N 1 1 408.571 4.168 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1C#N ZINC000505901790 914544275 /nfs/dbraw/zinc/54/42/75/914544275.db2.gz WKFYNCRKPJNUCV-HXUWFJFHSA-N 1 1 420.557 4.431 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1C#N ZINC000505901790 914544288 /nfs/dbraw/zinc/54/42/88/914544288.db2.gz WKFYNCRKPJNUCV-HXUWFJFHSA-N 1 1 420.557 4.431 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1C#N ZINC000486463771 901623437 /nfs/dbraw/zinc/62/34/37/901623437.db2.gz SJIUWDJGUDLRBI-HYBUGGRVSA-N 1 1 400.482 4.171 20 30 HIEDMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)s1 ZINC000486814937 901871702 /nfs/dbraw/zinc/87/17/02/901871702.db2.gz WNUWDNZVSRSSSV-UHFFFAOYSA-N 1 1 416.550 4.190 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000487223026 902107712 /nfs/dbraw/zinc/10/77/12/902107712.db2.gz SNGKTHBXPPEBOB-UHFFFAOYSA-N 1 1 414.465 4.133 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503489 902858724 /nfs/dbraw/zinc/85/87/24/902858724.db2.gz OQVMPSNXKFDLMR-ACJLOTCBSA-N 1 1 419.859 4.265 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489103909 903197692 /nfs/dbraw/zinc/19/76/92/903197692.db2.gz KQGRGKJIVVSMQC-XMMPIXPASA-N 1 1 414.509 4.273 20 30 HIEDMO CC1(C#N)CC[NH+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000506027776 914709147 /nfs/dbraw/zinc/70/91/47/914709147.db2.gz ONLZQQKWNTWDIB-NRFANRHFSA-N 1 1 400.526 4.042 20 30 HIEDMO C=CCC[C@@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000489669693 903532484 /nfs/dbraw/zinc/53/24/84/903532484.db2.gz VTCGEWCFAKRNKN-XMMPIXPASA-N 1 1 419.569 4.082 20 30 HIEDMO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 ZINC000490070531 903758588 /nfs/dbraw/zinc/75/85/88/903758588.db2.gz HTVNUUVVTQFSTF-INIZCTEOSA-N 1 1 404.470 4.221 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000490088111 903764957 /nfs/dbraw/zinc/76/49/57/903764957.db2.gz KEPKTOQWXQYXOY-UHFFFAOYSA-N 1 1 415.459 4.243 20 30 HIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000506113020 914808549 /nfs/dbraw/zinc/80/85/49/914808549.db2.gz LBRDBYYXTKVSGU-UHFFFAOYSA-N 1 1 415.342 4.116 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000506113020 914808550 /nfs/dbraw/zinc/80/85/50/914808550.db2.gz LBRDBYYXTKVSGU-UHFFFAOYSA-N 1 1 415.342 4.116 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491167238 904465770 /nfs/dbraw/zinc/46/57/70/904465770.db2.gz LOLAXFXJCJJPIX-NRFANRHFSA-N 1 1 400.482 4.067 20 30 HIEDMO COc1cccc(NC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000492490345 904858283 /nfs/dbraw/zinc/85/82/83/904858283.db2.gz YXKDENYTTGZHNN-UHFFFAOYSA-N 1 1 400.320 4.406 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515555 904863147 /nfs/dbraw/zinc/86/31/47/904863147.db2.gz OCEADBZZUVQBHB-MGPUTAFESA-N 1 1 419.447 4.154 20 30 HIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493635058 905177688 /nfs/dbraw/zinc/17/76/88/905177688.db2.gz LNFAIUHUJAAGGA-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924341 905275803 /nfs/dbraw/zinc/27/58/03/905275803.db2.gz CLNQPXKALVIADU-ICSRJNTNSA-N 1 1 406.530 4.378 20 30 HIEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443731 921164576 /nfs/dbraw/zinc/16/45/76/921164576.db2.gz GOEDTNORORFDBK-HSZRJFAPSA-N 1 1 405.542 4.121 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000496688949 906735547 /nfs/dbraw/zinc/73/55/47/906735547.db2.gz OCCOOAKNNKLFDT-UHFFFAOYSA-N 1 1 409.530 4.314 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497368360 906857988 /nfs/dbraw/zinc/85/79/88/906857988.db2.gz SRPIUFMREYYLLB-QHCPKHFHSA-N 1 1 410.562 4.281 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000497615533 907092693 /nfs/dbraw/zinc/09/26/93/907092693.db2.gz QNFKZPLBCOCADK-ATIYNZHBSA-N 1 1 418.537 4.070 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000497615533 907092712 /nfs/dbraw/zinc/09/27/12/907092712.db2.gz QNFKZPLBCOCADK-ATIYNZHBSA-N 1 1 418.537 4.070 20 30 HIEDMO CC(C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512811957 921317695 /nfs/dbraw/zinc/31/76/95/921317695.db2.gz NOFWPMKWSLKYNB-XMMPIXPASA-N 1 1 409.505 4.054 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@H+](C)C2CCCCC2)cc1C ZINC000497921733 907390562 /nfs/dbraw/zinc/39/05/62/907390562.db2.gz JSQVAAHWGVEBLB-UHFFFAOYSA-N 1 1 421.589 4.465 20 30 HIEDMO CCC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000497929797 907396657 /nfs/dbraw/zinc/39/66/57/907396657.db2.gz HTEQBOZKPKWURH-IBGZPJMESA-N 1 1 416.447 4.099 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000498526572 907996161 /nfs/dbraw/zinc/99/61/61/907996161.db2.gz OFNHTKOXWMCCID-UHFFFAOYSA-N 1 1 400.592 4.137 20 30 HIEDMO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000498660127 908096098 /nfs/dbraw/zinc/09/60/98/908096098.db2.gz SSOZMLMVVHGZJE-OAHLLOKOSA-N 1 1 409.555 4.324 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@H]12 ZINC000499524020 908828849 /nfs/dbraw/zinc/82/88/49/908828849.db2.gz RRUXIEWWHNBOKS-ITBHCLRTSA-N 1 1 403.611 4.271 20 30 HIEDMO C=CCc1cc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)cc(OC)c1O ZINC000500457540 909870030 /nfs/dbraw/zinc/87/00/30/909870030.db2.gz AFOKVMWJEKHDRN-INIZCTEOSA-N 1 1 408.267 4.254 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513130044 921573599 /nfs/dbraw/zinc/57/35/99/921573599.db2.gz PQFVHBPFWQAASN-UHFFFAOYSA-N 1 1 410.484 4.253 20 30 HIEDMO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578446 /nfs/dbraw/zinc/57/84/46/921578446.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 1 1 405.542 4.203 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c1C ZINC000501378720 910507887 /nfs/dbraw/zinc/50/78/87/910507887.db2.gz XMKDRIUXSRQKRE-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Br)cc2)c1C ZINC000501378720 910507901 /nfs/dbraw/zinc/50/79/01/910507901.db2.gz XMKDRIUXSRQKRE-UHFFFAOYSA-N 1 1 414.347 4.445 20 30 HIEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502171555 911093326 /nfs/dbraw/zinc/09/33/26/911093326.db2.gz KGOJNLGFAKZDOL-MRXNPFEDSA-N 1 1 424.932 4.198 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000502193948 911134188 /nfs/dbraw/zinc/13/41/88/911134188.db2.gz YSQSPJOXORDXGU-NBGIEHNGSA-N 1 1 414.553 4.410 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475119 915073034 /nfs/dbraw/zinc/07/30/34/915073034.db2.gz SKIQGNDBFGQHFO-NJYVYQBISA-N 1 1 414.569 4.047 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506477281 915080510 /nfs/dbraw/zinc/08/05/10/915080510.db2.gz NFUFNOGYEISJPJ-GOSISDBHSA-N 1 1 405.517 4.420 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562837 915209701 /nfs/dbraw/zinc/20/97/01/915209701.db2.gz QAVPEHWXQZXLAP-LSDHHAIUSA-N 1 1 414.600 4.409 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620110 915279181 /nfs/dbraw/zinc/27/91/81/915279181.db2.gz UBVZKROCDNKBCA-HXUWFJFHSA-N 1 1 423.561 4.075 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506937166 915740504 /nfs/dbraw/zinc/74/05/04/915740504.db2.gz NPIDRDYNPBSSCA-IBGZPJMESA-N 1 1 411.509 4.089 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507251347 916013582 /nfs/dbraw/zinc/01/35/82/916013582.db2.gz IPYWFDRTALIVEO-GOSISDBHSA-N 1 1 424.520 4.046 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000507263970 916027846 /nfs/dbraw/zinc/02/78/46/916027846.db2.gz QQPXPWNNRNAOFZ-UHFFFAOYSA-N 1 1 408.521 4.266 20 30 HIEDMO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000507327698 916087881 /nfs/dbraw/zinc/08/78/81/916087881.db2.gz DAKLFWWGBGXWGQ-JXAWBTAJSA-N 1 1 418.497 4.178 20 30 HIEDMO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507719015 916513377 /nfs/dbraw/zinc/51/33/77/916513377.db2.gz QXKSUPFWBRNVIU-NRFANRHFSA-N 1 1 418.585 4.030 20 30 HIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000507806294 916593030 /nfs/dbraw/zinc/59/30/30/916593030.db2.gz ZCURPIGEASNZPT-ROUUACIJSA-N 1 1 417.509 4.414 20 30 HIEDMO CC(C)[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000507818486 916615086 /nfs/dbraw/zinc/61/50/86/916615086.db2.gz GUPWNTPBRDQRCO-UHFFFAOYSA-N 1 1 405.420 4.305 20 30 HIEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000507818486 916615099 /nfs/dbraw/zinc/61/50/99/916615099.db2.gz GUPWNTPBRDQRCO-UHFFFAOYSA-N 1 1 405.420 4.305 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000507896667 916758390 /nfs/dbraw/zinc/75/83/90/916758390.db2.gz XRTJVHNZHDWBOX-HXUWFJFHSA-N 1 1 401.470 4.164 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000507896667 916758423 /nfs/dbraw/zinc/75/84/23/916758423.db2.gz XRTJVHNZHDWBOX-HXUWFJFHSA-N 1 1 401.470 4.164 20 30 HIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000507986276 916829886 /nfs/dbraw/zinc/82/98/86/916829886.db2.gz RXWBIQPZMUPVRV-OAQYLSRUSA-N 1 1 421.541 4.391 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000508497384 917281320 /nfs/dbraw/zinc/28/13/20/917281320.db2.gz KZPCSZIFRJKIIR-PZJWPPBQSA-N 1 1 403.615 4.146 20 30 HIEDMO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508510719 917296411 /nfs/dbraw/zinc/29/64/11/917296411.db2.gz RTENKRABNTZGQO-GGAORHGYSA-N 1 1 405.590 4.093 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508724512 917486744 /nfs/dbraw/zinc/48/67/44/917486744.db2.gz SNWAQKVFCYFZGS-JTHBVZDNSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508733666 917492819 /nfs/dbraw/zinc/49/28/19/917492819.db2.gz NMECFHOLOFZTLE-JTSKRJEESA-N 1 1 402.546 4.066 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508798444 917553958 /nfs/dbraw/zinc/55/39/58/917553958.db2.gz SSAUFOFHWNEBOO-UXHICEINSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508936923 917693443 /nfs/dbraw/zinc/69/34/43/917693443.db2.gz APWYPIJBAVQJPK-UGKGYDQZSA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000509001079 917754553 /nfs/dbraw/zinc/75/45/53/917754553.db2.gz VQBDRMSNUDOIRU-GOSISDBHSA-N 1 1 422.964 4.371 20 30 HIEDMO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181345 917891632 /nfs/dbraw/zinc/89/16/32/917891632.db2.gz VZNRUVUJJZGEHX-AEFFLSMTSA-N 1 1 415.525 4.307 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381478 918048763 /nfs/dbraw/zinc/04/87/63/918048763.db2.gz YTYXHNGYQUXGLG-QGZVFWFLSA-N 1 1 415.921 4.159 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000510535533 918980568 /nfs/dbraw/zinc/98/05/68/918980568.db2.gz BWNZVAGUCVGPHJ-VWLOTQADSA-N 1 1 411.505 4.200 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000510535533 918980575 /nfs/dbraw/zinc/98/05/75/918980575.db2.gz BWNZVAGUCVGPHJ-VWLOTQADSA-N 1 1 411.505 4.200 20 30 HIEDMO N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000510841370 919324811 /nfs/dbraw/zinc/32/48/11/919324811.db2.gz KCYTVMQFTJNOOC-MRXNPFEDSA-N 1 1 421.394 4.256 20 30 HIEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934548 919456193 /nfs/dbraw/zinc/45/61/93/919456193.db2.gz FYQFHGHQOFIKIQ-QZTJIDSGSA-N 1 1 419.529 4.052 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000511389708 919994343 /nfs/dbraw/zinc/99/43/43/919994343.db2.gz DWZXTWZNADRHJE-IBGZPJMESA-N 1 1 420.557 4.156 20 30 HIEDMO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000511476779 920085696 /nfs/dbraw/zinc/08/56/96/920085696.db2.gz OBRUGBMNNXHAGD-QZTJIDSGSA-N 1 1 419.529 4.052 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)Cc1ccccc1F ZINC000511524157 920143050 /nfs/dbraw/zinc/14/30/50/920143050.db2.gz HPKHYJRJJNBIIS-UHFFFAOYSA-N 1 1 412.505 4.024 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)Cc1ccccc1F ZINC000511524157 920143059 /nfs/dbraw/zinc/14/30/59/920143059.db2.gz HPKHYJRJJNBIIS-UHFFFAOYSA-N 1 1 412.505 4.024 20 30 HIEDMO C[C@](CO)([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(Br)cc1 ZINC000511587941 920235306 /nfs/dbraw/zinc/23/53/06/920235306.db2.gz MTEVPBGVFRTMRD-QGZVFWFLSA-N 1 1 424.136 4.081 20 30 HIEDMO CCc1cccc2c(C3CC[NH+](CCS(=O)(=O)c4cccc(C#N)c4)CC3)c[nH]c21 ZINC000513791647 922120239 /nfs/dbraw/zinc/12/02/39/922120239.db2.gz RYKIMOBFUSHLLP-UHFFFAOYSA-N 1 1 421.566 4.255 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000514046209 922367070 /nfs/dbraw/zinc/36/70/70/922367070.db2.gz NZKTVYULIDQGFL-PKTZIBPZSA-N 1 1 406.505 4.036 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000514119814 922452259 /nfs/dbraw/zinc/45/22/59/922452259.db2.gz AHKCMAWGHLAVJK-LJQANCHMSA-N 1 1 413.905 4.395 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000515502210 923137443 /nfs/dbraw/zinc/13/74/43/923137443.db2.gz YDGRKAGQIDCVEM-QFIPXVFZSA-N 1 1 422.573 4.049 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000515780006 923345483 /nfs/dbraw/zinc/34/54/83/923345483.db2.gz COQHGOJVCDLUNM-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000515780006 923345504 /nfs/dbraw/zinc/34/55/04/923345504.db2.gz COQHGOJVCDLUNM-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000515780006 923345520 /nfs/dbraw/zinc/34/55/20/923345520.db2.gz COQHGOJVCDLUNM-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)c(F)c1 ZINC000518000323 926940604 /nfs/dbraw/zinc/94/06/04/926940604.db2.gz LLKVKVLOMDLZME-UHFFFAOYSA-N 1 1 402.853 4.165 20 30 HIEDMO C=CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255325 927111367 /nfs/dbraw/zinc/11/13/67/927111367.db2.gz KFRNYYBKRQARCK-HNNXBMFYSA-N 1 1 406.515 4.436 20 30 HIEDMO C=CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255325 927111374 /nfs/dbraw/zinc/11/13/74/927111374.db2.gz KFRNYYBKRQARCK-HNNXBMFYSA-N 1 1 406.515 4.436 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000519451010 927959089 /nfs/dbraw/zinc/95/90/89/927959089.db2.gz OFZCPNPKXNPDAW-LJQANCHMSA-N 1 1 408.571 4.331 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000520778475 928812948 /nfs/dbraw/zinc/81/29/48/928812948.db2.gz DINNROOVRDOFIQ-AOYPEHQESA-N 1 1 417.553 4.086 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000521070488 928972600 /nfs/dbraw/zinc/97/26/00/928972600.db2.gz YETBTEWAWRTPGW-HSZRJFAPSA-N 1 1 420.553 4.242 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000521070488 928972613 /nfs/dbraw/zinc/97/26/13/928972613.db2.gz YETBTEWAWRTPGW-HSZRJFAPSA-N 1 1 420.553 4.242 20 30 HIEDMO COc1ccc(CN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000521822567 929479677 /nfs/dbraw/zinc/47/96/77/929479677.db2.gz WEMZJCOOCNSGMP-UHFFFAOYSA-N 1 1 405.542 4.216 20 30 HIEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C1CC1 ZINC000524665916 929780394 /nfs/dbraw/zinc/78/03/94/929780394.db2.gz HYOIRQDTRHNCDE-HXUWFJFHSA-N 1 1 409.452 4.138 20 30 HIEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C1CC1 ZINC000524665916 929780412 /nfs/dbraw/zinc/78/04/12/929780412.db2.gz HYOIRQDTRHNCDE-HXUWFJFHSA-N 1 1 409.452 4.138 20 30 HIEDMO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc4c3C[N@@H+](CCC(C)C)C4)CC2)o1 ZINC000527000006 930565133 /nfs/dbraw/zinc/56/51/33/930565133.db2.gz FBADKFHTLKRIGL-UHFFFAOYSA-N 1 1 421.545 4.072 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2Cl)cc1 ZINC000530528539 930739486 /nfs/dbraw/zinc/73/94/86/930739486.db2.gz CJQREKDYYUJCDV-UHFFFAOYSA-N 1 1 413.905 4.445 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638753 930783288 /nfs/dbraw/zinc/78/32/88/930783288.db2.gz ABXWYEFCLJOWHX-AZUAARDMSA-N 1 1 417.431 4.178 20 30 HIEDMO N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000532429912 931431342 /nfs/dbraw/zinc/43/13/42/931431342.db2.gz KZSBFEYLZSVXPF-FCHUYYIVSA-N 1 1 421.566 4.083 20 30 HIEDMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000532756928 931623496 /nfs/dbraw/zinc/62/34/96/931623496.db2.gz WIASQNGNPPLXKG-OAQYLSRUSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000532756928 931623500 /nfs/dbraw/zinc/62/35/00/931623500.db2.gz WIASQNGNPPLXKG-OAQYLSRUSA-N 1 1 416.443 4.019 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000532930014 931700012 /nfs/dbraw/zinc/70/00/12/931700012.db2.gz GXTIAEQPFZFXBL-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532930014 931700016 /nfs/dbraw/zinc/70/00/16/931700016.db2.gz GXTIAEQPFZFXBL-HNNXBMFYSA-N 1 1 418.310 4.355 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000532961140 931716368 /nfs/dbraw/zinc/71/63/68/931716368.db2.gz CDIVXOACXRXQJC-QGZVFWFLSA-N 1 1 416.344 4.428 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000532961140 931716375 /nfs/dbraw/zinc/71/63/75/931716375.db2.gz CDIVXOACXRXQJC-QGZVFWFLSA-N 1 1 416.344 4.428 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(Br)c1 ZINC000533252217 931819871 /nfs/dbraw/zinc/81/98/71/931819871.db2.gz UVVXQTAMOFXERA-GFCCVEGCSA-N 1 1 418.360 4.330 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(Br)c1 ZINC000533252217 931819872 /nfs/dbraw/zinc/81/98/72/931819872.db2.gz UVVXQTAMOFXERA-GFCCVEGCSA-N 1 1 418.360 4.330 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1 ZINC000533360122 931848360 /nfs/dbraw/zinc/84/83/60/931848360.db2.gz USCYQWCVLPYLFF-UHFFFAOYSA-N 1 1 421.888 4.112 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364960 931849249 /nfs/dbraw/zinc/84/92/49/931849249.db2.gz PCNSGZZPHUNBPK-SJLPKXTDSA-N 1 1 414.937 4.159 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379790 931853635 /nfs/dbraw/zinc/85/36/35/931853635.db2.gz AUIVMYUCVIWBBR-KNQAVFIVSA-N 1 1 422.916 4.179 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379790 931853637 /nfs/dbraw/zinc/85/36/37/931853637.db2.gz AUIVMYUCVIWBBR-KNQAVFIVSA-N 1 1 422.916 4.179 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC3(C1)CCCCC3)CCCC2 ZINC000533433032 931866932 /nfs/dbraw/zinc/86/69/32/931866932.db2.gz HDBGSCBPVKGJFC-IBGZPJMESA-N 1 1 424.589 4.012 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491120 931883892 /nfs/dbraw/zinc/88/38/92/931883892.db2.gz KYWDIFINFPMXRU-SJLPKXTDSA-N 1 1 412.555 4.466 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c(OC)c1 ZINC000533491120 931883893 /nfs/dbraw/zinc/88/38/93/931883893.db2.gz KYWDIFINFPMXRU-SJLPKXTDSA-N 1 1 412.555 4.466 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000533523837 931893803 /nfs/dbraw/zinc/89/38/03/931893803.db2.gz NFORDTSKGWQIAH-UHFFFAOYSA-N 1 1 412.559 4.156 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1)c1ccccc1 ZINC000533606555 931919687 /nfs/dbraw/zinc/91/96/87/931919687.db2.gz DJOQXUKMGZSZTO-IBGZPJMESA-N 1 1 411.933 4.378 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1)c1ccccc1 ZINC000533606555 931919702 /nfs/dbraw/zinc/91/97/02/931919702.db2.gz DJOQXUKMGZSZTO-IBGZPJMESA-N 1 1 411.933 4.378 20 30 HIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533761778 932015891 /nfs/dbraw/zinc/01/58/91/932015891.db2.gz PSMOHLSTVNVGBI-IBGZPJMESA-N 1 1 421.932 4.363 20 30 HIEDMO C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000533936333 932110217 /nfs/dbraw/zinc/11/02/17/932110217.db2.gz AYQYYUQCMCTQNL-XXBNENTESA-N 1 1 405.542 4.151 20 30 HIEDMO N#CCc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000533942383 932116227 /nfs/dbraw/zinc/11/62/27/932116227.db2.gz CMLBQCUZIVEAJU-UHFFFAOYSA-N 1 1 402.325 4.454 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534195243 932325397 /nfs/dbraw/zinc/32/53/97/932325397.db2.gz DTHKZCSPYYOQNZ-RTWAWAEBSA-N 1 1 417.985 4.013 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535549481 933238257 /nfs/dbraw/zinc/23/82/57/933238257.db2.gz UGORFRJZAOWFKJ-FCHUYYIVSA-N 1 1 408.933 4.355 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535549481 933238271 /nfs/dbraw/zinc/23/82/71/933238271.db2.gz UGORFRJZAOWFKJ-FCHUYYIVSA-N 1 1 408.933 4.355 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535678298 933329155 /nfs/dbraw/zinc/32/91/55/933329155.db2.gz XXOZLDMYQCZNOQ-OXQOHEQNSA-N 1 1 400.885 4.474 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535678296 933329482 /nfs/dbraw/zinc/32/94/82/933329482.db2.gz XXOZLDMYQCZNOQ-JXFKEZNVSA-N 1 1 400.885 4.474 20 30 HIEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc(OC)c1O ZINC000535822662 933416764 /nfs/dbraw/zinc/41/67/64/933416764.db2.gz OFTSKYYINIAXIQ-FQEVSTJZSA-N 1 1 420.509 4.270 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc(OC)c1O ZINC000535822662 933416770 /nfs/dbraw/zinc/41/67/70/933416770.db2.gz OFTSKYYINIAXIQ-FQEVSTJZSA-N 1 1 420.509 4.270 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)cc1 ZINC000537561861 938325043 /nfs/dbraw/zinc/32/50/43/938325043.db2.gz OXASIJCQXGTQLH-IBGZPJMESA-N 1 1 417.517 4.154 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)cc1 ZINC000537561861 938325045 /nfs/dbraw/zinc/32/50/45/938325045.db2.gz OXASIJCQXGTQLH-IBGZPJMESA-N 1 1 417.517 4.154 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000537841557 938387223 /nfs/dbraw/zinc/38/72/23/938387223.db2.gz PVYGLZVKGVPDPQ-SFHVURJKSA-N 1 1 408.571 4.227 20 30 HIEDMO N#CC1(c2ccccc2)CCC(Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000538834371 938722295 /nfs/dbraw/zinc/72/22/95/938722295.db2.gz OSYGISUNSVOYSY-YFPLAWBCSA-N 1 1 416.569 4.200 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000539287178 938833981 /nfs/dbraw/zinc/83/39/81/938833981.db2.gz MTLGJSOZZLNKMS-LSDHHAIUSA-N 1 1 406.523 4.158 20 30 HIEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OCc1ccccc1 ZINC000539327416 938842291 /nfs/dbraw/zinc/84/22/91/938842291.db2.gz ZINLFIFPGPLBCA-LJQANCHMSA-N 1 1 420.534 4.262 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000539361425 938848480 /nfs/dbraw/zinc/84/84/80/938848480.db2.gz VRMLRLCFEAZADZ-QFIPXVFZSA-N 1 1 403.482 4.254 20 30 HIEDMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C2CC2)no1 ZINC000539492932 938868291 /nfs/dbraw/zinc/86/82/91/938868291.db2.gz CSYVBWMROONHCZ-GOSISDBHSA-N 1 1 413.547 4.074 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000539785380 938934473 /nfs/dbraw/zinc/93/44/73/938934473.db2.gz GNOQCIFWYQFWIR-UHFFFAOYSA-N 1 1 402.473 4.002 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000539829337 938949895 /nfs/dbraw/zinc/94/98/95/938949895.db2.gz RIOQUYSDXDPIOU-OAQYLSRUSA-N 1 1 407.514 4.005 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832465 938951599 /nfs/dbraw/zinc/95/15/99/938951599.db2.gz SPMOACSJBOSWCU-CQSZACIVSA-N 1 1 403.408 4.152 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540423814 939243637 /nfs/dbraw/zinc/24/36/37/939243637.db2.gz RSTLICGCJMGJSB-UONOGXRCSA-N 1 1 412.515 4.475 20 30 HIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540441093 939251465 /nfs/dbraw/zinc/25/14/65/939251465.db2.gz APWHXNZMOQLGRL-OAHLLOKOSA-N 1 1 403.885 4.394 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000540715963 939346735 /nfs/dbraw/zinc/34/67/35/939346735.db2.gz UYROYTUPYBVCCA-HSZRJFAPSA-N 1 1 400.567 4.047 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cc(F)c(F)c(F)c1 ZINC000540830305 939387303 /nfs/dbraw/zinc/38/73/03/939387303.db2.gz BSNZSYAWWRCJSS-UHFFFAOYSA-N 1 1 407.461 4.376 20 30 HIEDMO COc1ccc(CCn2c(C)cc(C(=O)C[NH+]3CCC(CC#N)CC3)c2C)cc1OC ZINC000541022435 939432630 /nfs/dbraw/zinc/43/26/30/939432630.db2.gz DSAFAUKXOXAWED-UHFFFAOYSA-N 1 1 423.557 4.173 20 30 HIEDMO N#CCC1CC[NH+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC000541025168 939433744 /nfs/dbraw/zinc/43/37/44/939433744.db2.gz UJSHKHSQRCHIHI-FQEVSTJZSA-N 1 1 410.905 4.236 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1)C1CC1 ZINC000541070713 939450018 /nfs/dbraw/zinc/45/00/18/939450018.db2.gz LZSCVMSPBCTNDP-UHFFFAOYSA-N 1 1 403.461 4.120 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000541104981 939461943 /nfs/dbraw/zinc/46/19/43/939461943.db2.gz GPEGISDWSDNGKB-UHFFFAOYSA-N 1 1 422.920 4.171 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541107193 939462760 /nfs/dbraw/zinc/46/27/60/939462760.db2.gz NCVDTHDBDICGKB-MOPGFXCFSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541107193 939462766 /nfs/dbraw/zinc/46/27/66/939462766.db2.gz NCVDTHDBDICGKB-MOPGFXCFSA-N 1 1 406.933 4.338 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159261 939480984 /nfs/dbraw/zinc/48/09/84/939480984.db2.gz WVQNRGZBASBRAB-NWVWQQAFSA-N 1 1 402.542 4.412 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1OCCCC#N ZINC000541247767 939487514 /nfs/dbraw/zinc/48/75/14/939487514.db2.gz ZGBZQRCYZWCISE-KRWDZBQOSA-N 1 1 422.451 4.430 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000541383287 939502233 /nfs/dbraw/zinc/50/22/33/939502233.db2.gz ROIBGDOYRPOVTN-INIZCTEOSA-N 1 1 421.570 4.155 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H](C)c2nccs2)c1C#N ZINC000541383287 939502240 /nfs/dbraw/zinc/50/22/40/939502240.db2.gz ROIBGDOYRPOVTN-INIZCTEOSA-N 1 1 421.570 4.155 20 30 HIEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000541589564 939561922 /nfs/dbraw/zinc/56/19/22/939561922.db2.gz CRFYGMMTIVNCRV-QFIPXVFZSA-N 1 1 413.456 4.017 20 30 HIEDMO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nnc2ccccn21 ZINC000541613870 939571203 /nfs/dbraw/zinc/57/12/03/939571203.db2.gz SYJPXCVMJYULJW-HRAATJIYSA-N 1 1 422.558 4.049 20 30 HIEDMO C[C@@H]1[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC12CCOCC2 ZINC000541717683 939613283 /nfs/dbraw/zinc/61/32/83/939613283.db2.gz DLGWGNIPUKPCIL-INIZCTEOSA-N 1 1 401.576 4.108 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000541998693 939675189 /nfs/dbraw/zinc/67/51/89/939675189.db2.gz CZYTZNNVCVWWJX-UHFFFAOYSA-N 1 1 405.477 4.367 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533297 939838709 /nfs/dbraw/zinc/83/87/09/939838709.db2.gz LSZIEDMBXCCGCU-QYZOEREBSA-N 1 1 414.619 4.262 20 30 HIEDMO Cc1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)cn1 ZINC000543060333 939914287 /nfs/dbraw/zinc/91/42/87/939914287.db2.gz CAPWUFFYHQLWLD-UHFFFAOYSA-N 1 1 410.949 4.478 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000543506206 940088768 /nfs/dbraw/zinc/08/87/68/940088768.db2.gz YDSINNVZUHYDDD-UONOGXRCSA-N 1 1 404.967 4.431 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999967 940672905 /nfs/dbraw/zinc/67/29/05/940672905.db2.gz YZYKDXFYSWBRSU-VGSWGCGISA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)cc1OC ZINC000545999967 940672908 /nfs/dbraw/zinc/67/29/08/940672908.db2.gz YZYKDXFYSWBRSU-VGSWGCGISA-N 1 1 421.545 4.035 20 30 HIEDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc(CC#N)cc4)n3)cc2Cl)CC1 ZINC000546446219 940821824 /nfs/dbraw/zinc/82/18/24/940821824.db2.gz WVUIKFWJNDWYSX-UHFFFAOYSA-N 1 1 407.905 4.265 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000547064357 940980936 /nfs/dbraw/zinc/98/09/36/940980936.db2.gz KELLVTLTFRHDQR-NRFANRHFSA-N 1 1 402.498 4.032 20 30 HIEDMO Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000548280710 941093690 /nfs/dbraw/zinc/09/36/90/941093690.db2.gz UCTFATWLMGLRJL-UHFFFAOYSA-N 1 1 410.905 4.197 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c1C#N ZINC000548497481 941109635 /nfs/dbraw/zinc/10/96/35/941109635.db2.gz YIOLEUQLCDAVQO-IBGZPJMESA-N 1 1 417.278 4.487 20 30 HIEDMO CCOc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1OCC(F)(F)F ZINC000548860090 941126881 /nfs/dbraw/zinc/12/68/81/941126881.db2.gz FIJGPJXEBHJFLK-UHFFFAOYSA-N 1 1 419.447 4.479 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173086 941168377 /nfs/dbraw/zinc/16/83/77/941168377.db2.gz RCLUMEGUJYCRNQ-MRXNPFEDSA-N 1 1 412.515 4.102 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173086 941168378 /nfs/dbraw/zinc/16/83/78/941168378.db2.gz RCLUMEGUJYCRNQ-MRXNPFEDSA-N 1 1 412.515 4.102 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549291592 941177531 /nfs/dbraw/zinc/17/75/31/941177531.db2.gz HKISSBVEQFXGQV-FQEVSTJZSA-N 1 1 406.578 4.025 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000549320631 941179713 /nfs/dbraw/zinc/17/97/13/941179713.db2.gz CKIZODWONHNIEE-UHFFFAOYSA-N 1 1 406.578 4.341 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000549419243 941188149 /nfs/dbraw/zinc/18/81/49/941188149.db2.gz BCVUWBHDTTYFNC-QGZVFWFLSA-N 1 1 420.948 4.373 20 30 HIEDMO CC(C)N1CC[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549474177 941193860 /nfs/dbraw/zinc/19/38/60/941193860.db2.gz ZFLVLAOMKIUFMG-UNMCSNQZSA-N 1 1 423.467 4.200 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549723617 941205711 /nfs/dbraw/zinc/20/57/11/941205711.db2.gz BYSOYHWBENFDRN-QGZVFWFLSA-N 1 1 417.985 4.351 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410787 941472324 /nfs/dbraw/zinc/47/23/24/941472324.db2.gz DSTITVCGMVNEPY-NSHDSACASA-N 1 1 407.358 4.107 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410787 941472333 /nfs/dbraw/zinc/47/23/33/941472333.db2.gz DSTITVCGMVNEPY-NSHDSACASA-N 1 1 407.358 4.107 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1Cl ZINC000551815900 941551542 /nfs/dbraw/zinc/55/15/42/941551542.db2.gz FAYOBYAPBAGFPV-LFVRLGFBSA-N 1 1 422.916 4.287 20 30 HIEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767857 941963111 /nfs/dbraw/zinc/96/31/11/941963111.db2.gz LLUZFIVUHWCBOF-AXHZCLLHSA-N 1 1 403.526 4.347 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000553832514 941979687 /nfs/dbraw/zinc/97/96/87/941979687.db2.gz KKTZSJMYAHSGNY-DEOSSOPVSA-N 1 1 421.541 4.350 20 30 HIEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000554797960 942243681 /nfs/dbraw/zinc/24/36/81/942243681.db2.gz SSHFEZBHOGJVEK-JOCHJYFZSA-N 1 1 410.926 4.365 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847806 942284793 /nfs/dbraw/zinc/28/47/93/942284793.db2.gz FUXRWQHYCFTDMK-INIZCTEOSA-N 1 1 411.493 4.492 20 30 HIEDMO N#Cc1cc2c(nc1NC[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CCCC2 ZINC000555231070 942438690 /nfs/dbraw/zinc/43/86/90/942438690.db2.gz UNVOVIIKMNBWMA-QHCPKHFHSA-N 1 1 416.569 4.173 20 30 HIEDMO C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C2CC2)CC1 ZINC000555249627 942446067 /nfs/dbraw/zinc/44/60/67/942446067.db2.gz UMVWZFPMZUWVCB-UHFFFAOYSA-N 1 1 409.578 4.149 20 30 HIEDMO C=C(C)Cn1c(N2CC[C@H](C[N@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555273147 942458768 /nfs/dbraw/zinc/45/87/68/942458768.db2.gz RRJYVDALOLRAGG-GOSISDBHSA-N 1 1 419.520 4.151 20 30 HIEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000555350248 942488779 /nfs/dbraw/zinc/48/87/79/942488779.db2.gz NQMGCJIONZYKIJ-UHFFFAOYSA-N 1 1 408.546 4.408 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000556896604 942956768 /nfs/dbraw/zinc/95/67/68/942956768.db2.gz ZOVYBKMPKGVOSH-PMACEKPBSA-N 1 1 404.558 4.248 20 30 HIEDMO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000557062463 943009365 /nfs/dbraw/zinc/00/93/65/943009365.db2.gz WFANVLZNUZYOBH-IBGZPJMESA-N 1 1 410.468 4.228 20 30 HIEDMO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000557430291 943122230 /nfs/dbraw/zinc/12/22/30/943122230.db2.gz WVWVEDPVRHBPFX-ROUUACIJSA-N 1 1 416.997 4.197 20 30 HIEDMO N#Cc1cc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000557494052 943166553 /nfs/dbraw/zinc/16/65/53/943166553.db2.gz WKBFNCLLLKZFPL-QGZVFWFLSA-N 1 1 403.845 4.090 20 30 HIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000558414057 943553564 /nfs/dbraw/zinc/55/35/64/943553564.db2.gz VZJKTKCETOFNGA-UHFFFAOYSA-N 1 1 422.319 4.274 20 30 HIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000558414057 943553569 /nfs/dbraw/zinc/55/35/69/943553569.db2.gz VZJKTKCETOFNGA-UHFFFAOYSA-N 1 1 422.319 4.274 20 30 HIEDMO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[N@H+](CC)CC1 ZINC000558455388 943564441 /nfs/dbraw/zinc/56/44/41/943564441.db2.gz XULQDVGKRHJGEN-UHFFFAOYSA-N 1 1 424.774 4.079 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000558675216 943626899 /nfs/dbraw/zinc/62/68/99/943626899.db2.gz ZFAZTJZNQWYBGU-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)CC2CCC2)c(OC)c1 ZINC000558736813 943635212 /nfs/dbraw/zinc/63/52/12/943635212.db2.gz VJIUZGQLWGIMTD-UHFFFAOYSA-N 1 1 413.543 4.268 20 30 HIEDMO C=CCOc1c(Br)cc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000559864426 944070012 /nfs/dbraw/zinc/07/00/12/944070012.db2.gz MBIZWMCMGLKLAG-MRXNPFEDSA-N 1 1 411.384 4.233 20 30 HIEDMO Cc1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)ccc1C#N ZINC000560133864 944173015 /nfs/dbraw/zinc/17/30/15/944173015.db2.gz MWVKTKYPUIEHJQ-SFHVURJKSA-N 1 1 424.854 4.270 20 30 HIEDMO Cc1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)ccc1C#N ZINC000560133864 944173018 /nfs/dbraw/zinc/17/30/18/944173018.db2.gz MWVKTKYPUIEHJQ-SFHVURJKSA-N 1 1 424.854 4.270 20 30 HIEDMO Cc1nc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)ccc1C#N ZINC000560133863 944173096 /nfs/dbraw/zinc/17/30/96/944173096.db2.gz MWVKTKYPUIEHJQ-GOSISDBHSA-N 1 1 424.854 4.270 20 30 HIEDMO Cc1nc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)ccc1C#N ZINC000560133863 944173104 /nfs/dbraw/zinc/17/31/04/944173104.db2.gz MWVKTKYPUIEHJQ-GOSISDBHSA-N 1 1 424.854 4.270 20 30 HIEDMO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccco1 ZINC000560538779 944248118 /nfs/dbraw/zinc/24/81/18/944248118.db2.gz PSCIAFRYPVBQNL-HNNXBMFYSA-N 1 1 410.255 4.120 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598170 944269265 /nfs/dbraw/zinc/26/92/65/944269265.db2.gz BCSAEISKTCYCMG-LJQANCHMSA-N 1 1 419.916 4.416 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611797 944273527 /nfs/dbraw/zinc/27/35/27/944273527.db2.gz IQSYGZUBRDQZEZ-OAQYLSRUSA-N 1 1 407.905 4.165 20 30 HIEDMO C=CCCO[C@H](C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561074126 944429560 /nfs/dbraw/zinc/42/95/60/944429560.db2.gz GOWCGFQOLWEFDN-QPPBQGQZSA-N 1 1 407.558 4.056 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000561241030 944525059 /nfs/dbraw/zinc/52/50/59/944525059.db2.gz DPGRRURXKQGOOZ-JOCHJYFZSA-N 1 1 412.553 4.420 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2c1 ZINC000561348501 944559133 /nfs/dbraw/zinc/55/91/33/944559133.db2.gz KEOCLEHZDXEODN-INIZCTEOSA-N 1 1 417.513 4.040 20 30 HIEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000562032193 944903787 /nfs/dbraw/zinc/90/37/87/944903787.db2.gz ZMVCOJULRCRAGS-UHFFFAOYSA-N 1 1 406.534 4.258 20 30 HIEDMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1 ZINC000564313297 945510420 /nfs/dbraw/zinc/51/04/20/945510420.db2.gz OTODJOYLOVJOPB-UHFFFAOYSA-N 1 1 411.505 4.192 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564432526 945580336 /nfs/dbraw/zinc/58/03/36/945580336.db2.gz PIABLDUUEOHCDM-GOSISDBHSA-N 1 1 404.963 4.207 20 30 HIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564432526 945580369 /nfs/dbraw/zinc/58/03/69/945580369.db2.gz PIABLDUUEOHCDM-GOSISDBHSA-N 1 1 404.963 4.207 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565332448 945813446 /nfs/dbraw/zinc/81/34/46/945813446.db2.gz QSEZDRWBCPIKOR-IFMALSPDSA-N 1 1 419.573 4.332 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000565612727 945854744 /nfs/dbraw/zinc/85/47/44/945854744.db2.gz NNBAZTLBUVDBAI-BEFAXECRSA-N 1 1 416.447 4.097 20 30 HIEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565979798 945959560 /nfs/dbraw/zinc/95/95/60/945959560.db2.gz MPWHRGZFGLJENZ-XMSQKQJNSA-N 1 1 400.530 4.016 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000566666411 946069503 /nfs/dbraw/zinc/06/95/03/946069503.db2.gz IZXSGASLVYVLAD-KRWDZBQOSA-N 1 1 407.514 4.205 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702153 946076203 /nfs/dbraw/zinc/07/62/03/946076203.db2.gz XKBHJNJDROCAPO-MSOLQXFVSA-N 1 1 405.498 4.019 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087315 946238102 /nfs/dbraw/zinc/23/81/02/946238102.db2.gz PRGWEEZOPXCZDR-RXVVDRJESA-N 1 1 413.587 4.251 20 30 HIEDMO C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OCC ZINC000567393318 946322657 /nfs/dbraw/zinc/32/26/57/946322657.db2.gz BXXOHWHXGTZWSS-LOSJGSFVSA-N 1 1 421.585 4.446 20 30 HIEDMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640703 946627593 /nfs/dbraw/zinc/62/75/93/946627593.db2.gz GNHXBXVADTZJNV-KGLIPLIRSA-N 1 1 402.589 4.408 20 30 HIEDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000568640703 946627603 /nfs/dbraw/zinc/62/76/03/946627603.db2.gz GNHXBXVADTZJNV-KGLIPLIRSA-N 1 1 402.589 4.408 20 30 HIEDMO C=C(C)[C@H](NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000568642450 946630363 /nfs/dbraw/zinc/63/03/63/946630363.db2.gz KIZUOEPJQWOJQG-NRFANRHFSA-N 1 1 400.473 4.385 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000568642451 946631872 /nfs/dbraw/zinc/63/18/72/946631872.db2.gz KIZUOEPJQWOJQG-OAQYLSRUSA-N 1 1 400.473 4.385 20 30 HIEDMO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 ZINC000571109105 947504986 /nfs/dbraw/zinc/50/49/86/947504986.db2.gz NYIDIHVWYHVHPM-UHFFFAOYSA-N 1 1 413.591 4.360 20 30 HIEDMO Cc1cnc(CC[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 ZINC000571109105 947504998 /nfs/dbraw/zinc/50/49/98/947504998.db2.gz NYIDIHVWYHVHPM-UHFFFAOYSA-N 1 1 413.591 4.360 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2C)c1C#N ZINC000571372400 947629010 /nfs/dbraw/zinc/62/90/10/947629010.db2.gz WCJQWAHLRUHSRX-SFHVURJKSA-N 1 1 418.541 4.428 20 30 HIEDMO COc1cc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1C#N ZINC000573291204 948148245 /nfs/dbraw/zinc/14/82/45/948148245.db2.gz GLTXZEJOKRBUFK-UHFFFAOYSA-N 1 1 403.486 4.257 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cnn(C)c2C)cc1OCC ZINC000573315176 948156014 /nfs/dbraw/zinc/15/60/14/948156014.db2.gz GGXLKYDBWWYCBV-UHFFFAOYSA-N 1 1 408.340 4.087 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cnn(C)c2C)cc1OCC ZINC000573315176 948156026 /nfs/dbraw/zinc/15/60/26/948156026.db2.gz GGXLKYDBWWYCBV-UHFFFAOYSA-N 1 1 408.340 4.087 20 30 HIEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000575625431 948683626 /nfs/dbraw/zinc/68/36/26/948683626.db2.gz OJZPPJUVBJNLLQ-UHFFFAOYSA-N 1 1 424.238 4.054 20 30 HIEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627206 719080881 /nfs/dbraw/zinc/08/08/81/719080881.db2.gz PRYRESSUANGVLI-ROUUACIJSA-N 1 1 402.876 4.252 20 30 HIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810234 720207668 /nfs/dbraw/zinc/20/76/68/720207668.db2.gz AOYPYYWJFDZBTD-UUOWRZLLSA-N 1 1 424.976 4.253 20 30 HIEDMO CC(C)c1ccc(C#N)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842758 720666949 /nfs/dbraw/zinc/66/69/49/720666949.db2.gz UATNENOTBKSMDN-QFIPXVFZSA-N 1 1 404.558 4.337 20 30 HIEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164796394 721500420 /nfs/dbraw/zinc/50/04/20/721500420.db2.gz UBENVTCBLOPDSJ-UHFFFAOYSA-N 1 1 401.558 4.108 20 30 HIEDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164904735 721585615 /nfs/dbraw/zinc/58/56/15/721585615.db2.gz FYTBKOUKRILZER-FQEVSTJZSA-N 1 1 417.891 4.048 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164910493 721760797 /nfs/dbraw/zinc/76/07/97/721760797.db2.gz GVZSYWUGNOVYNT-UHFFFAOYSA-N 1 1 409.493 4.289 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164910493 721760803 /nfs/dbraw/zinc/76/08/03/721760803.db2.gz GVZSYWUGNOVYNT-UHFFFAOYSA-N 1 1 409.493 4.289 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]21 ZINC001165019856 721811986 /nfs/dbraw/zinc/81/19/86/721811986.db2.gz BZYCYBUDEKVGRJ-UEVCKROQSA-N 1 1 401.558 4.159 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]21 ZINC001165022749 721812233 /nfs/dbraw/zinc/81/22/33/721812233.db2.gz HBPODZFIINVTID-LSBZLQRGSA-N 1 1 416.356 4.392 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@H]21 ZINC001165028957 721830178 /nfs/dbraw/zinc/83/01/78/721830178.db2.gz WAIBVYBOIRTFAW-POZUXBRTSA-N 1 1 416.356 4.392 20 30 HIEDMO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000435943254 861208245 /nfs/dbraw/zinc/20/82/45/861208245.db2.gz OMDNTIQDOMLQKI-FPOVZHCZSA-N 1 1 422.598 4.398 20 30 HIEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643473 848338517 /nfs/dbraw/zinc/33/85/17/848338517.db2.gz XLKKVUQBHMUYQC-HXUWFJFHSA-N 1 1 418.585 4.218 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)cc1 ZINC000044308891 848543198 /nfs/dbraw/zinc/54/31/98/848543198.db2.gz ZMZULULZWYZDJV-UHFFFAOYSA-N 1 1 415.497 4.317 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046934123 848962326 /nfs/dbraw/zinc/96/23/26/848962326.db2.gz LMCCMZFEQCMEPN-SFHVURJKSA-N 1 1 407.562 4.217 20 30 HIEDMO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000048051694 849154426 /nfs/dbraw/zinc/15/44/26/849154426.db2.gz FGMSRKMQYGOKLJ-UHFFFAOYSA-N 1 1 402.420 4.363 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000051993084 849536035 /nfs/dbraw/zinc/53/60/35/849536035.db2.gz IFJBTJAYGBDUEO-UHFFFAOYSA-N 1 1 418.541 4.237 20 30 HIEDMO C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1cccc(C#N)c1 ZINC000052580350 849597059 /nfs/dbraw/zinc/59/70/59/849597059.db2.gz KKSOMJPXGLQZKO-DEOSSOPVSA-N 1 1 401.535 4.226 20 30 HIEDMO C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1cccc(C#N)c1 ZINC000052580350 849597064 /nfs/dbraw/zinc/59/70/64/849597064.db2.gz KKSOMJPXGLQZKO-DEOSSOPVSA-N 1 1 401.535 4.226 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000053721011 849749473 /nfs/dbraw/zinc/74/94/73/849749473.db2.gz HVORILKJQTUVPB-UHFFFAOYSA-N 1 1 402.325 4.142 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1 ZINC000054153026 849816821 /nfs/dbraw/zinc/81/68/21/849816821.db2.gz VYOIFCMREWPJSO-UHFFFAOYSA-N 1 1 410.521 4.128 20 30 HIEDMO Cc1ccc(-c2nnc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000054643153 849898421 /nfs/dbraw/zinc/89/84/21/849898421.db2.gz UDFWZWDUHQSBNA-LJQANCHMSA-N 1 1 401.514 4.186 20 30 HIEDMO O=C(NCC#Cc1ccccc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056458897 850368997 /nfs/dbraw/zinc/36/89/97/850368997.db2.gz ZHBQFIXXCJLQEB-UHFFFAOYSA-N 1 1 415.459 4.021 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490825 850837829 /nfs/dbraw/zinc/83/78/29/850837829.db2.gz UIBBUZLYORUIBO-SFHVURJKSA-N 1 1 423.538 4.045 20 30 HIEDMO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000058952292 850966529 /nfs/dbraw/zinc/96/65/29/850966529.db2.gz SRZCMJORJDIXQW-LJQANCHMSA-N 1 1 408.542 4.422 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000063657421 851735900 /nfs/dbraw/zinc/73/59/00/851735900.db2.gz JAHHSPDMBQHJLR-QHCPKHFHSA-N 1 1 403.526 4.104 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063751180 851754412 /nfs/dbraw/zinc/75/44/12/851754412.db2.gz AERTUDZFVLLALN-UHFFFAOYSA-N 1 1 401.457 4.029 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)ccc1F ZINC000063751594 851754612 /nfs/dbraw/zinc/75/46/12/851754612.db2.gz YJMUDHPLDMXBNE-UHFFFAOYSA-N 1 1 404.283 4.311 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000063754606 851756284 /nfs/dbraw/zinc/75/62/84/851756284.db2.gz VRWVNIRUFFDKET-UHFFFAOYSA-N 1 1 413.525 4.170 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000065949470 852330459 /nfs/dbraw/zinc/33/04/59/852330459.db2.gz GTOCNGKLVZONDE-CYBMUJFWSA-N 1 1 414.296 4.340 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000065959728 852332590 /nfs/dbraw/zinc/33/25/90/852332590.db2.gz YETBTEWAWRTPGW-QHCPKHFHSA-N 1 1 420.553 4.242 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000065959728 852332597 /nfs/dbraw/zinc/33/25/97/852332597.db2.gz YETBTEWAWRTPGW-QHCPKHFHSA-N 1 1 420.553 4.242 20 30 HIEDMO N#CCc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000097366085 852605676 /nfs/dbraw/zinc/60/56/76/852605676.db2.gz STMHRAQJHFTNGY-UHFFFAOYSA-N 1 1 401.432 4.120 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000107715147 852789425 /nfs/dbraw/zinc/78/94/25/852789425.db2.gz CREZBGDCRNVSGO-IBGZPJMESA-N 1 1 407.583 4.340 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000107715157 852789469 /nfs/dbraw/zinc/78/94/69/852789469.db2.gz YJIXTKGQTKDUIP-IBGZPJMESA-N 1 1 407.583 4.482 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000108428399 852849631 /nfs/dbraw/zinc/84/96/31/852849631.db2.gz ONZNKUZUGKBJCC-BGYRXZFFSA-N 1 1 408.542 4.133 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000108428399 852849638 /nfs/dbraw/zinc/84/96/38/852849638.db2.gz ONZNKUZUGKBJCC-BGYRXZFFSA-N 1 1 408.542 4.133 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cs1 ZINC000110446140 853101255 /nfs/dbraw/zinc/10/12/55/853101255.db2.gz PZJWIGFQVFCMNO-UHFFFAOYSA-N 1 1 416.550 4.097 20 30 HIEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000139933535 853426841 /nfs/dbraw/zinc/42/68/41/853426841.db2.gz ZGVSYPKVLCJJBH-LPHOPBHVSA-N 1 1 400.548 4.190 20 30 HIEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000139933535 853426849 /nfs/dbraw/zinc/42/68/49/853426849.db2.gz ZGVSYPKVLCJJBH-LPHOPBHVSA-N 1 1 400.548 4.190 20 30 HIEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000147219248 853584791 /nfs/dbraw/zinc/58/47/91/853584791.db2.gz SSXROABHXDDPBN-UHFFFAOYSA-N 1 1 419.319 4.439 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](CC3CCCCC3)CC1)CCC2 ZINC000165672721 853652702 /nfs/dbraw/zinc/65/27/02/853652702.db2.gz WHKSANPIDIPHKN-UHFFFAOYSA-N 1 1 414.619 4.025 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 ZINC000237467462 854039494 /nfs/dbraw/zinc/03/94/94/854039494.db2.gz AKTKWZXZVCTBSM-JOCHJYFZSA-N 1 1 412.461 4.119 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccco1 ZINC000255945661 854226809 /nfs/dbraw/zinc/22/68/09/854226809.db2.gz ATAXBZKZODLCMB-HXUWFJFHSA-N 1 1 405.523 4.476 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](Cc2cccs2)CC1 ZINC000301088685 854292287 /nfs/dbraw/zinc/29/22/87/854292287.db2.gz NGRKNNOAJWTRTR-UHFFFAOYSA-N 1 1 400.454 4.092 20 30 HIEDMO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4c(Br)cccc34)CC2)nc1 ZINC000301143674 854309942 /nfs/dbraw/zinc/30/99/42/854309942.db2.gz HUUQLDYHIBCHEB-UHFFFAOYSA-N 1 1 408.303 4.345 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316713 854357344 /nfs/dbraw/zinc/35/73/44/854357344.db2.gz VYNHTYHSVZNDJE-IBGZPJMESA-N 1 1 420.347 4.058 20 30 HIEDMO C[N@@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302696214 854606975 /nfs/dbraw/zinc/60/69/75/854606975.db2.gz WLHAQGLTEVXPFM-CTNGQTDRSA-N 1 1 409.396 4.150 20 30 HIEDMO C[N@H+]1CC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302696214 854606984 /nfs/dbraw/zinc/60/69/84/854606984.db2.gz WLHAQGLTEVXPFM-CTNGQTDRSA-N 1 1 409.396 4.150 20 30 HIEDMO Cc1nc2sc3c(c2c(N2CCC[N@@H+](Cc4ccc(C#N)cc4)CC2)n1)CCC3 ZINC000302911182 854676300 /nfs/dbraw/zinc/67/63/00/854676300.db2.gz MJBPCIRHJPRKSN-UHFFFAOYSA-N 1 1 403.555 4.072 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000303279151 854848569 /nfs/dbraw/zinc/84/85/69/854848569.db2.gz IDZDONGVDRWQEJ-CYBMUJFWSA-N 1 1 404.308 4.032 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000303298716 854859396 /nfs/dbraw/zinc/85/93/96/854859396.db2.gz CEJVOJQIDBZXIY-INIZCTEOSA-N 1 1 401.507 4.169 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000303298716 854859398 /nfs/dbraw/zinc/85/93/98/854859398.db2.gz CEJVOJQIDBZXIY-INIZCTEOSA-N 1 1 401.507 4.169 20 30 HIEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 ZINC000303408196 854913557 /nfs/dbraw/zinc/91/35/57/854913557.db2.gz TVKKBGGXINCGMN-HXUWFJFHSA-N 1 1 422.598 4.146 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533820 855019996 /nfs/dbraw/zinc/01/99/96/855019996.db2.gz FGDSRRARSVGSLL-LEWJYISDSA-N 1 1 406.574 4.324 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303562776 855041506 /nfs/dbraw/zinc/04/15/06/855041506.db2.gz IHZXRKYGEHAJQX-QHAWAJNXSA-N 1 1 403.636 4.238 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000303589066 855061962 /nfs/dbraw/zinc/06/19/62/855061962.db2.gz UMIKJNIZYYXDHI-HXUWFJFHSA-N 1 1 421.589 4.481 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000303588505 855062261 /nfs/dbraw/zinc/06/22/61/855062261.db2.gz OFUBTVXFFCJSPM-UHFFFAOYSA-N 1 1 409.530 4.314 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303626683 855085723 /nfs/dbraw/zinc/08/57/23/855085723.db2.gz XXJJCJKINIQDLH-GOSISDBHSA-N 1 1 402.420 4.282 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000303661356 855114029 /nfs/dbraw/zinc/11/40/29/855114029.db2.gz VSGZFFIQWVFZHB-VABKMULXSA-N 1 1 410.606 4.217 20 30 HIEDMO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)CCc1ccc(Cl)cc1Cl ZINC000410380232 855963449 /nfs/dbraw/zinc/96/34/49/855963449.db2.gz RYUPVTZLHGXEOD-UHFFFAOYSA-N 1 1 413.345 4.111 20 30 HIEDMO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccc(Cl)cc1Cl ZINC000410380232 855963454 /nfs/dbraw/zinc/96/34/54/855963454.db2.gz RYUPVTZLHGXEOD-UHFFFAOYSA-N 1 1 413.345 4.111 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426137851 856133288 /nfs/dbraw/zinc/13/32/88/856133288.db2.gz GMBDGOXRZDMZJA-IYBDPMFKSA-N 1 1 412.921 4.143 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426137851 856133292 /nfs/dbraw/zinc/13/32/92/856133292.db2.gz GMBDGOXRZDMZJA-IYBDPMFKSA-N 1 1 412.921 4.143 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H](COC)C3)sc2C1 ZINC000426461387 856302082 /nfs/dbraw/zinc/30/20/82/856302082.db2.gz OZAFNGAUELUJDN-HZPDHXFCSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H](COC)C3)sc2C1 ZINC000426461387 856302093 /nfs/dbraw/zinc/30/20/93/856302093.db2.gz OZAFNGAUELUJDN-HZPDHXFCSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](COC)C3)sc2C1 ZINC000426461384 856302303 /nfs/dbraw/zinc/30/23/03/856302303.db2.gz OZAFNGAUELUJDN-HOTGVXAUSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](COC)C3)sc2C1 ZINC000426461384 856302313 /nfs/dbraw/zinc/30/23/13/856302313.db2.gz OZAFNGAUELUJDN-HOTGVXAUSA-N 1 1 403.592 4.068 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000427009083 856593295 /nfs/dbraw/zinc/59/32/95/856593295.db2.gz PEWFOCUQQCZXEY-DLBZAZTESA-N 1 1 417.619 4.458 20 30 HIEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000427018984 856598185 /nfs/dbraw/zinc/59/81/85/856598185.db2.gz FVPXYKIGKMKGGS-UHFFFAOYSA-N 1 1 401.476 4.091 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000427018984 856598187 /nfs/dbraw/zinc/59/81/87/856598187.db2.gz FVPXYKIGKMKGGS-UHFFFAOYSA-N 1 1 401.476 4.091 20 30 HIEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140640 856664596 /nfs/dbraw/zinc/66/45/96/856664596.db2.gz SYCQGGHFPYOLTI-URXFXBBRSA-N 1 1 408.542 4.144 20 30 HIEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140640 856664617 /nfs/dbraw/zinc/66/46/17/856664617.db2.gz SYCQGGHFPYOLTI-URXFXBBRSA-N 1 1 408.542 4.144 20 30 HIEDMO CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)CCC(F)(F)F ZINC000427258344 856740272 /nfs/dbraw/zinc/74/02/72/856740272.db2.gz SLYDILSBSGPVGO-UHFFFAOYSA-N 1 1 404.436 4.306 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000428396214 857189814 /nfs/dbraw/zinc/18/98/14/857189814.db2.gz DSWNUJCTJFVHFK-UHFFFAOYSA-N 1 1 413.525 4.060 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428503207 857229571 /nfs/dbraw/zinc/22/95/71/857229571.db2.gz MLUZCRUSPFJDIB-GOSISDBHSA-N 1 1 424.508 4.449 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783275 857336798 /nfs/dbraw/zinc/33/67/98/857336798.db2.gz MWTPTOJIYQEQBC-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783275 857336802 /nfs/dbraw/zinc/33/68/02/857336802.db2.gz MWTPTOJIYQEQBC-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911330 857408819 /nfs/dbraw/zinc/40/88/19/857408819.db2.gz JIBJYZKFEPXQQR-KNQAVFIVSA-N 1 1 413.525 4.029 20 30 HIEDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000429282393 857590768 /nfs/dbraw/zinc/59/07/68/857590768.db2.gz DWEQYXMDQHTANZ-QGZVFWFLSA-N 1 1 414.550 4.118 20 30 HIEDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000429282393 857590777 /nfs/dbraw/zinc/59/07/77/857590777.db2.gz DWEQYXMDQHTANZ-QGZVFWFLSA-N 1 1 414.550 4.118 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000429718296 857848541 /nfs/dbraw/zinc/84/85/41/857848541.db2.gz ANGODQRFIWJBLT-UHFFFAOYSA-N 1 1 424.570 4.074 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 ZINC000430129828 858045687 /nfs/dbraw/zinc/04/56/87/858045687.db2.gz SHNCXEUVCASEFW-INIZCTEOSA-N 1 1 417.200 4.302 20 30 HIEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188465 858073228 /nfs/dbraw/zinc/07/32/28/858073228.db2.gz SDNJOSDSLKTBQP-FQEVSTJZSA-N 1 1 421.932 4.122 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188662 858073357 /nfs/dbraw/zinc/07/33/57/858073357.db2.gz UWDCWGPZAMXHBK-SFHVURJKSA-N 1 1 406.467 4.243 20 30 HIEDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000431147796 858470602 /nfs/dbraw/zinc/47/06/02/858470602.db2.gz DGZWHFOGIWKKEB-UHFFFAOYSA-N 1 1 406.555 4.389 20 30 HIEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873428 858849899 /nfs/dbraw/zinc/84/98/99/858849899.db2.gz UCCCQNLGQUZDDB-RDPSFJRHSA-N 1 1 420.557 4.142 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873428 858849902 /nfs/dbraw/zinc/84/99/02/858849902.db2.gz UCCCQNLGQUZDDB-RDPSFJRHSA-N 1 1 420.557 4.142 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)NCC[N@@H+]3CC=CCC3)cc2Cl)c1 ZINC000432079905 858973736 /nfs/dbraw/zinc/97/37/36/858973736.db2.gz SVFYMQSQGPXYFE-UHFFFAOYSA-N 1 1 410.905 4.174 20 30 HIEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCO1 ZINC000432540053 859216886 /nfs/dbraw/zinc/21/68/86/859216886.db2.gz BNWLSAYUJLVBDJ-IBGZPJMESA-N 1 1 423.582 4.081 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433008569 859474868 /nfs/dbraw/zinc/47/48/68/859474868.db2.gz DOPLFNIPZUAGMC-RTBURBONSA-N 1 1 409.496 4.452 20 30 HIEDMO COc1cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000433075759 859511826 /nfs/dbraw/zinc/51/18/26/859511826.db2.gz ZLQDVPPCPPXYOP-DEOSSOPVSA-N 1 1 416.521 4.181 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)cc1 ZINC000433128839 859532138 /nfs/dbraw/zinc/53/21/38/859532138.db2.gz XXANVCODRWQMFG-UHFFFAOYSA-N 1 1 413.525 4.096 20 30 HIEDMO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](O)COCC(F)(F)F ZINC000433188299 859560869 /nfs/dbraw/zinc/56/08/69/859560869.db2.gz CHINUAOAZJWYTD-GFCCVEGCSA-N 1 1 413.280 4.096 20 30 HIEDMO CCn1nccc1C1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000434799064 860498816 /nfs/dbraw/zinc/49/88/16/860498816.db2.gz OKGCVVBIXVMLAD-UHFFFAOYSA-N 1 1 422.577 4.126 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N ZINC000434897201 860542276 /nfs/dbraw/zinc/54/22/76/860542276.db2.gz UYLXEHLBWYVGIG-DENIHFKCSA-N 1 1 416.525 4.434 20 30 HIEDMO CC[C@@](C)(O)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000434980721 860584714 /nfs/dbraw/zinc/58/47/14/860584714.db2.gz GWAMKBYUMHDPHZ-XMMPIXPASA-N 1 1 403.530 4.022 20 30 HIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989761 860588005 /nfs/dbraw/zinc/58/80/05/860588005.db2.gz CEQRKPCJMKCBKR-OAQYLSRUSA-N 1 1 409.921 4.332 20 30 HIEDMO N#Cc1ccc2ncc(C[NH+]3CCC(Nc4cccc(Br)c4)CC3)n2c1 ZINC000435027547 860605965 /nfs/dbraw/zinc/60/59/65/860605965.db2.gz MVVCPKLTMVUNQD-UHFFFAOYSA-N 1 1 410.319 4.045 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128155 860653483 /nfs/dbraw/zinc/65/34/83/860653483.db2.gz ZNVJOQJMANWJDT-FGZHOGPDSA-N 1 1 407.562 4.418 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435135915 860658204 /nfs/dbraw/zinc/65/82/04/860658204.db2.gz WKKKEPWYXHYLPB-LJQANCHMSA-N 1 1 403.555 4.473 20 30 HIEDMO N#CCCn1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136100 860658520 /nfs/dbraw/zinc/65/85/20/860658520.db2.gz YKMYMKIQERCDIM-FQEVSTJZSA-N 1 1 407.543 4.101 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435138000 860659187 /nfs/dbraw/zinc/65/91/87/860659187.db2.gz PCQLEXJXLFGZNO-NRFANRHFSA-N 1 1 417.513 4.213 20 30 HIEDMO N#CCCn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136873 860659342 /nfs/dbraw/zinc/65/93/42/860659342.db2.gz IDWBNKNNTNZJRF-QHCPKHFHSA-N 1 1 419.504 4.179 20 30 HIEDMO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000437909583 863284205 /nfs/dbraw/zinc/28/42/05/863284205.db2.gz YSNHUARHWYMFPM-UHFFFAOYSA-N 1 1 400.473 4.293 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000438084292 863483788 /nfs/dbraw/zinc/48/37/88/863483788.db2.gz ZWBOGMOXKVVARR-CTUHWIOQSA-N 1 1 418.541 4.383 20 30 HIEDMO COC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438095417 863503546 /nfs/dbraw/zinc/50/35/46/863503546.db2.gz ISESVBUGRVHMIR-UHFFFAOYSA-N 1 1 417.427 4.144 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445967 863871415 /nfs/dbraw/zinc/87/14/15/863871415.db2.gz DKROZNZHFHAUHC-RPBOFIJWSA-N 1 1 421.585 4.311 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2C1 ZINC000438524291 863949438 /nfs/dbraw/zinc/94/94/38/863949438.db2.gz SBQZKZZYZBDYQU-CQSZACIVSA-N 1 1 424.526 4.040 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2C1 ZINC000438524291 863949453 /nfs/dbraw/zinc/94/94/53/863949453.db2.gz SBQZKZZYZBDYQU-CQSZACIVSA-N 1 1 424.526 4.040 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc1F ZINC000439099552 864539122 /nfs/dbraw/zinc/53/91/22/864539122.db2.gz KHXGUXHTWPBLHY-UHFFFAOYSA-N 1 1 411.362 4.191 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000439360747 864802129 /nfs/dbraw/zinc/80/21/29/864802129.db2.gz QDKRZZBQHBLAKC-LJQANCHMSA-N 1 1 421.541 4.451 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 ZINC000439461896 864841040 /nfs/dbraw/zinc/84/10/40/864841040.db2.gz MZBVBCIHEMEDBZ-MRXNPFEDSA-N 1 1 400.885 4.384 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487790 864849702 /nfs/dbraw/zinc/84/97/02/864849702.db2.gz VYOVVFNIHLDJFY-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487790 864849705 /nfs/dbraw/zinc/84/97/05/864849705.db2.gz VYOVVFNIHLDJFY-AOMKIAJQSA-N 1 1 409.509 4.165 20 30 HIEDMO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000439604650 864927874 /nfs/dbraw/zinc/92/78/74/864927874.db2.gz SBMBEBMIKZDTFA-UHFFFAOYSA-N 1 1 412.578 4.178 20 30 HIEDMO CCCc1c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439664283 864992850 /nfs/dbraw/zinc/99/28/50/864992850.db2.gz NPJCGOKSJBAFPK-UHFFFAOYSA-N 1 1 420.561 4.179 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000439990236 865300304 /nfs/dbraw/zinc/30/03/04/865300304.db2.gz UBWDNLCMDQVCJN-GZEZKRSXSA-N 1 1 424.589 4.071 20 30 HIEDMO CCCc1c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)cnn1-c1cccc(C#N)c1 ZINC000440069122 865336463 /nfs/dbraw/zinc/33/64/63/865336463.db2.gz FRASCUNRWMYUPL-QHCPKHFHSA-N 1 1 401.514 4.328 20 30 HIEDMO CCCc1c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cnn1-c1cccc(C#N)c1 ZINC000440069122 865336479 /nfs/dbraw/zinc/33/64/79/865336479.db2.gz FRASCUNRWMYUPL-QHCPKHFHSA-N 1 1 401.514 4.328 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000441479361 866558108 /nfs/dbraw/zinc/55/81/08/866558108.db2.gz HNKDYMMQVVOKJU-IBGZPJMESA-N 1 1 401.942 4.103 20 30 HIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000442907191 867732919 /nfs/dbraw/zinc/73/29/19/867732919.db2.gz XFJSRKQNVRXSAU-IIBYNOLFSA-N 1 1 409.331 4.264 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000444058074 868597361 /nfs/dbraw/zinc/59/73/61/868597361.db2.gz NHYHVEDEGXAMDN-UHFFFAOYSA-N 1 1 416.294 4.453 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000444170226 868647242 /nfs/dbraw/zinc/64/72/42/868647242.db2.gz LYVLRUBAGUSRBL-SJORKVTESA-N 1 1 402.608 4.022 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC4(CCCCC4)C3)sc2C1 ZINC000444190426 868658711 /nfs/dbraw/zinc/65/87/11/868658711.db2.gz GYDFUUPDHAKFET-MRXNPFEDSA-N 1 1 401.576 4.108 20 30 HIEDMO CC1CCC([N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]2CCCO2)CC1 ZINC000444199144 868661641 /nfs/dbraw/zinc/66/16/41/868661641.db2.gz REBHSYQBNPTGBM-ABHNRTSZSA-N 1 1 415.603 4.497 20 30 HIEDMO Cc1cccc(N2CCC(NC(=O)c3cn(CCCC#N)c4ccccc34)CC2)[nH+]1 ZINC000444248050 868695630 /nfs/dbraw/zinc/69/56/30/868695630.db2.gz OHMJYXBIGCCZGS-UHFFFAOYSA-N 1 1 401.514 4.047 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273491 868709366 /nfs/dbraw/zinc/70/93/66/868709366.db2.gz PWTUMHPRHZAZJT-XXBNENTESA-N 1 1 400.526 4.195 20 30 HIEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F ZINC000444664384 868942081 /nfs/dbraw/zinc/94/20/81/868942081.db2.gz NPZUJDNOLMALEL-LLVKDONJSA-N 1 1 403.820 4.246 20 30 HIEDMO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1 ZINC000444668993 868945721 /nfs/dbraw/zinc/94/57/21/868945721.db2.gz FVXHNEAJVPPCGU-FQEVSTJZSA-N 1 1 408.509 4.213 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666761 868946733 /nfs/dbraw/zinc/94/67/33/868946733.db2.gz RZNGQJTVZRZJMJ-BWKNWUBXSA-N 1 1 413.565 4.362 20 30 HIEDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000445242064 869297331 /nfs/dbraw/zinc/29/73/31/869297331.db2.gz SGQXPUZHKIPQEH-UHFFFAOYSA-N 1 1 419.529 4.054 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cc1 ZINC000448225640 872137361 /nfs/dbraw/zinc/13/73/61/872137361.db2.gz OGCMCOVIKGPIIS-NQIIRXRSSA-N 1 1 421.570 4.086 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460374030 873012347 /nfs/dbraw/zinc/01/23/47/873012347.db2.gz JIGISCZBFGUQBD-SZPZYZBQSA-N 1 1 419.598 4.075 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460556455 873274881 /nfs/dbraw/zinc/27/48/81/873274881.db2.gz HHGLUNQHNCUREY-LPHOPBHVSA-N 1 1 415.969 4.321 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460572886 873307100 /nfs/dbraw/zinc/30/71/00/873307100.db2.gz CEDNFRNZRPQIGJ-BPBCIEFSSA-N 1 1 409.578 4.051 20 30 HIEDMO CC(C)=CCOc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000460692419 873453430 /nfs/dbraw/zinc/45/34/30/873453430.db2.gz UDZNHAAJNJHREX-UHFFFAOYSA-N 1 1 403.526 4.251 20 30 HIEDMO CC(C)=CCOc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000460692419 873453438 /nfs/dbraw/zinc/45/34/38/873453438.db2.gz UDZNHAAJNJHREX-UHFFFAOYSA-N 1 1 403.526 4.251 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460781277 873636900 /nfs/dbraw/zinc/63/69/00/873636900.db2.gz JAYDXMRVMJDRFU-WSTZPKSXSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460783560 873640465 /nfs/dbraw/zinc/64/04/65/873640465.db2.gz PDSYNSLMTDTJAX-KSZLIROESA-N 1 1 401.530 4.052 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460801304 873673105 /nfs/dbraw/zinc/67/31/05/873673105.db2.gz WCCFATFSFZJHAT-LQWHRVPQSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460961995 873858284 /nfs/dbraw/zinc/85/82/84/873858284.db2.gz VNZGKEUIAAMKML-OAQYLSRUSA-N 1 1 419.573 4.333 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460962993 873860262 /nfs/dbraw/zinc/86/02/62/873860262.db2.gz MQRSTPKCHWIOLH-PZJWPPBQSA-N 1 1 406.578 4.166 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760833 882847381 /nfs/dbraw/zinc/84/73/81/882847381.db2.gz ANGPIRZITGNFQN-WMZHIEFXSA-N 1 1 402.542 4.202 20 30 HIEDMO N#Cc1cccc(COc2cccc(CNc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)c2)c1 ZINC000462851646 875885634 /nfs/dbraw/zinc/88/56/34/875885634.db2.gz DUGXKEPUYAOSII-VWLOTQADSA-N 1 1 413.521 4.316 20 30 HIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203726 876264422 /nfs/dbraw/zinc/26/44/22/876264422.db2.gz QKFYPERLRLLBCP-GFRNBQLOSA-N 1 1 417.981 4.238 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210640 876269753 /nfs/dbraw/zinc/26/97/53/876269753.db2.gz OIKSLFBBGSDDDH-NNWRFLSQSA-N 1 1 417.981 4.301 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463420730 876475289 /nfs/dbraw/zinc/47/52/89/876475289.db2.gz WCHJEIJFZWLTPR-CYBMUJFWSA-N 1 1 404.308 4.032 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463420730 876475290 /nfs/dbraw/zinc/47/52/90/876475290.db2.gz WCHJEIJFZWLTPR-CYBMUJFWSA-N 1 1 404.308 4.032 20 30 HIEDMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456498 876517738 /nfs/dbraw/zinc/51/77/38/876517738.db2.gz RXXIYRSCELAHOE-JOCHJYFZSA-N 1 1 403.444 4.254 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000463774986 876895618 /nfs/dbraw/zinc/89/56/18/876895618.db2.gz KDAPOQIOJXWRHE-IERDGZPVSA-N 1 1 400.544 4.134 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@H+]1Cc1ccccc1 ZINC000469018609 883086667 /nfs/dbraw/zinc/08/66/67/883086667.db2.gz OAXGOLKZQCWNAJ-NQIIRXRSSA-N 1 1 414.509 4.244 20 30 HIEDMO C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000464895322 878199410 /nfs/dbraw/zinc/19/94/10/878199410.db2.gz QUDGDQHNJBZYRC-NRFANRHFSA-N 1 1 405.542 4.230 20 30 HIEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000465400403 878836675 /nfs/dbraw/zinc/83/66/75/878836675.db2.gz WUGLLVMEZGSNTB-HSZRJFAPSA-N 1 1 422.548 4.387 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503413092 912398338 /nfs/dbraw/zinc/39/83/38/912398338.db2.gz RVODMEGUQCPVOR-SFHVURJKSA-N 1 1 403.448 4.349 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000465887067 879541848 /nfs/dbraw/zinc/54/18/48/879541848.db2.gz GUHYWLLQFXZPMH-GPXOXTDOSA-N 1 1 416.569 4.032 20 30 HIEDMO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000465889833 879545452 /nfs/dbraw/zinc/54/54/52/879545452.db2.gz JAHNSMZQVISERI-FQEVSTJZSA-N 1 1 414.912 4.205 20 30 HIEDMO C[C@@H](c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC000503499426 912544882 /nfs/dbraw/zinc/54/48/82/912544882.db2.gz TZCCNMDWHLOEIZ-IBGZPJMESA-N 1 1 416.525 4.273 20 30 HIEDMO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000466606373 880375901 /nfs/dbraw/zinc/37/59/01/880375901.db2.gz HMLHVFPQEWVKCV-PZJWPPBQSA-N 1 1 421.545 4.453 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466606958 880375966 /nfs/dbraw/zinc/37/59/66/880375966.db2.gz KMWACVAQGRUPRZ-PZJWPPBQSA-N 1 1 421.545 4.281 20 30 HIEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000503543901 912606199 /nfs/dbraw/zinc/60/61/99/912606199.db2.gz VFYCXXKMNZHVOX-UHFFFAOYSA-N 1 1 409.449 4.279 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192343 880921755 /nfs/dbraw/zinc/92/17/55/880921755.db2.gz TXKIYRGOPDCIBJ-UYAOXDASSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192343 880921760 /nfs/dbraw/zinc/92/17/60/880921760.db2.gz TXKIYRGOPDCIBJ-UYAOXDASSA-N 1 1 419.294 4.037 20 30 HIEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)CC2 ZINC000467209586 880939679 /nfs/dbraw/zinc/93/96/79/880939679.db2.gz XPLQJVGCSLKPSH-KURKYZTESA-N 1 1 414.619 4.020 20 30 HIEDMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281124 881027264 /nfs/dbraw/zinc/02/72/64/881027264.db2.gz UERBTQLTCZSPIM-IAGOWNOFSA-N 1 1 403.592 4.354 20 30 HIEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000467508154 881322071 /nfs/dbraw/zinc/32/20/71/881322071.db2.gz OIHZUFRMGNNVOI-INIZCTEOSA-N 1 1 411.571 4.486 20 30 HIEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1=O ZINC000467516065 881331344 /nfs/dbraw/zinc/33/13/44/881331344.db2.gz FCAMBFURMNHHII-HSZRJFAPSA-N 1 1 400.526 4.066 20 30 HIEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1=O ZINC000467516065 881331363 /nfs/dbraw/zinc/33/13/63/881331363.db2.gz FCAMBFURMNHHII-HSZRJFAPSA-N 1 1 400.526 4.066 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@H](C)O1 ZINC000469163803 883261375 /nfs/dbraw/zinc/26/13/75/883261375.db2.gz VTQCVWXNRCXFNU-CALCHBBNSA-N 1 1 416.481 4.075 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@H](C)O1 ZINC000469163803 883261383 /nfs/dbraw/zinc/26/13/83/883261383.db2.gz VTQCVWXNRCXFNU-CALCHBBNSA-N 1 1 416.481 4.075 20 30 HIEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899780 884088886 /nfs/dbraw/zinc/08/88/86/884088886.db2.gz UCHVXQFWMKKGQG-QGZVFWFLSA-N 1 1 405.502 4.057 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000470005609 884222047 /nfs/dbraw/zinc/22/20/47/884222047.db2.gz ZUUZEKKTUODZNK-UHFFFAOYSA-N 1 1 423.460 4.468 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(OCC2CCCC2)CC1)c1cccc(Cl)c1 ZINC000470192694 884493358 /nfs/dbraw/zinc/49/33/58/884493358.db2.gz BGJGNUNDGHRPGS-UHFFFAOYSA-N 1 1 403.954 4.258 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000503954401 912882890 /nfs/dbraw/zinc/88/28/90/912882890.db2.gz YFUGUSGLHBDESB-HXUWFJFHSA-N 1 1 406.486 4.106 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000504010891 912916582 /nfs/dbraw/zinc/91/65/82/912916582.db2.gz XKKDQERJQIXUQZ-UHFFFAOYSA-N 1 1 408.468 4.005 20 30 HIEDMO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470871771 885359523 /nfs/dbraw/zinc/35/95/23/885359523.db2.gz GBWHEKNIZIUHBM-FQEVSTJZSA-N 1 1 401.470 4.115 20 30 HIEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958565 885457150 /nfs/dbraw/zinc/45/71/50/885457150.db2.gz KWTFPUTUVNZRRM-GMAHTHKFSA-N 1 1 420.944 4.065 20 30 HIEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958565 885457151 /nfs/dbraw/zinc/45/71/51/885457151.db2.gz KWTFPUTUVNZRRM-GMAHTHKFSA-N 1 1 420.944 4.065 20 30 HIEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958566 885457433 /nfs/dbraw/zinc/45/74/33/885457433.db2.gz KWTFPUTUVNZRRM-JTHBVZDNSA-N 1 1 420.944 4.065 20 30 HIEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000470958566 885457443 /nfs/dbraw/zinc/45/74/43/885457443.db2.gz KWTFPUTUVNZRRM-JTHBVZDNSA-N 1 1 420.944 4.065 20 30 HIEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000470996616 885496299 /nfs/dbraw/zinc/49/62/99/885496299.db2.gz SEGFVQNHKWAPAF-FQEVSTJZSA-N 1 1 417.340 4.204 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000471030989 885537216 /nfs/dbraw/zinc/53/72/16/885537216.db2.gz GGKHYADWGKAPCG-FQEVSTJZSA-N 1 1 413.610 4.084 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748377 886476748 /nfs/dbraw/zinc/47/67/48/886476748.db2.gz JNNNGSXKMTXFIH-DFIYOIEZSA-N 1 1 414.553 4.035 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471983966 886812021 /nfs/dbraw/zinc/81/20/21/886812021.db2.gz DQHYEVMYEHWEFW-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471983966 886812023 /nfs/dbraw/zinc/81/20/23/886812023.db2.gz DQHYEVMYEHWEFW-WOJBJXKFSA-N 1 1 402.420 4.321 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000472265095 887079799 /nfs/dbraw/zinc/07/97/99/887079799.db2.gz XJTVFTLJFXBHNJ-HHHXNRCGSA-N 1 1 409.533 4.500 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305169 887129971 /nfs/dbraw/zinc/12/99/71/887129971.db2.gz JFNXWRDPXIVTQG-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305169 887129979 /nfs/dbraw/zinc/12/99/79/887129979.db2.gz JFNXWRDPXIVTQG-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO N#CC(CC[NH+]1CCN(CC(F)(F)C(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000472590506 887467402 /nfs/dbraw/zinc/46/74/02/887467402.db2.gz GFWKVKBVBZZQPY-UHFFFAOYSA-N 1 1 419.466 4.404 20 30 HIEDMO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472722891 887570984 /nfs/dbraw/zinc/57/09/84/887570984.db2.gz GILHPDJXLMDLLO-SFHVURJKSA-N 1 1 414.456 4.288 20 30 HIEDMO C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504367587 913196572 /nfs/dbraw/zinc/19/65/72/913196572.db2.gz GYQFVQNBQDTYLP-CJNGLKHVSA-N 1 1 404.864 4.066 20 30 HIEDMO C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504367587 913196581 /nfs/dbraw/zinc/19/65/81/913196581.db2.gz GYQFVQNBQDTYLP-CJNGLKHVSA-N 1 1 404.864 4.066 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)c1 ZINC000474229916 889073873 /nfs/dbraw/zinc/07/38/73/889073873.db2.gz IUZMJUGOAQXZEI-UHFFFAOYSA-N 1 1 401.432 4.073 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)o2)cc1 ZINC000475736634 890677046 /nfs/dbraw/zinc/67/70/46/890677046.db2.gz XPHHRAHUJGMLQS-VWLOTQADSA-N 1 1 413.525 4.096 20 30 HIEDMO N#CC[C@H](CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428246 891341394 /nfs/dbraw/zinc/34/13/94/891341394.db2.gz NYEWVIRVMISBMY-PKTZIBPZSA-N 1 1 413.525 4.356 20 30 HIEDMO CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000476431057 891341935 /nfs/dbraw/zinc/34/19/35/891341935.db2.gz RTKNDTKRTUTVMS-QFIPXVFZSA-N 1 1 413.525 4.384 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000505001460 913745387 /nfs/dbraw/zinc/74/53/87/913745387.db2.gz UBSKRRJBVQGLJM-HXUWFJFHSA-N 1 1 409.530 4.218 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000505001460 913745395 /nfs/dbraw/zinc/74/53/95/913745395.db2.gz UBSKRRJBVQGLJM-HXUWFJFHSA-N 1 1 409.530 4.218 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000478838748 894117637 /nfs/dbraw/zinc/11/76/37/894117637.db2.gz SXQIFHDDVIFSRO-LJQANCHMSA-N 1 1 402.542 4.279 20 30 HIEDMO N#CC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000479271381 894546618 /nfs/dbraw/zinc/54/66/18/894546618.db2.gz FVEOORDJSACQIR-UHFFFAOYSA-N 1 1 403.457 4.374 20 30 HIEDMO N#CC1(NC(=O)c2csc(Cc3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479274351 894547926 /nfs/dbraw/zinc/54/79/26/894547926.db2.gz FFRQESFGVHSJKM-UHFFFAOYSA-N 1 1 416.550 4.022 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)CCO1 ZINC000479524461 894833659 /nfs/dbraw/zinc/83/36/59/894833659.db2.gz HTBKLRLPWLBHLV-GOSISDBHSA-N 1 1 421.566 4.035 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1C ZINC000479637439 894904432 /nfs/dbraw/zinc/90/44/32/894904432.db2.gz IJIOMTUYFIQGOK-OAQYLSRUSA-N 1 1 405.498 4.116 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1C ZINC000479637439 894904449 /nfs/dbraw/zinc/90/44/49/894904449.db2.gz IJIOMTUYFIQGOK-OAQYLSRUSA-N 1 1 405.498 4.116 20 30 HIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097625 895462565 /nfs/dbraw/zinc/46/25/65/895462565.db2.gz MSONOMVVYFVCPA-DHIUTWEWSA-N 1 1 413.525 4.341 20 30 HIEDMO N#Cc1c(C#N)c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2c1CCCCCC2 ZINC000480510485 895878875 /nfs/dbraw/zinc/87/88/75/895878875.db2.gz PTBMYQAXNGKSIL-UHFFFAOYSA-N 1 1 414.557 4.401 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000481067016 896387277 /nfs/dbraw/zinc/38/72/77/896387277.db2.gz ANSUGLZXKHNPBU-SFHVURJKSA-N 1 1 415.607 4.060 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000481067016 896387297 /nfs/dbraw/zinc/38/72/97/896387297.db2.gz ANSUGLZXKHNPBU-SFHVURJKSA-N 1 1 415.607 4.060 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000481123313 896449533 /nfs/dbraw/zinc/44/95/33/896449533.db2.gz XFNZRJJMZTVBAT-QHCPKHFHSA-N 1 1 409.578 4.216 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183393 896526812 /nfs/dbraw/zinc/52/68/12/896526812.db2.gz RUFXQZWZXVREOV-QTEQDKRBSA-N 1 1 411.615 4.151 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183393 896526825 /nfs/dbraw/zinc/52/68/25/896526825.db2.gz RUFXQZWZXVREOV-QTEQDKRBSA-N 1 1 411.615 4.151 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000481590897 896970160 /nfs/dbraw/zinc/97/01/60/896970160.db2.gz IERBJVSPOQEWOW-SPLOXXLWSA-N 1 1 406.448 4.366 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481603435 896983327 /nfs/dbraw/zinc/98/33/27/896983327.db2.gz BYTAMFRDVUBCLL-GTQRCTGISA-N 1 1 418.484 4.455 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611825 896993486 /nfs/dbraw/zinc/99/34/86/896993486.db2.gz LGERJLZEAQSZLC-NPMXOYFQSA-N 1 1 418.484 4.456 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481618311 897001792 /nfs/dbraw/zinc/00/17/92/897001792.db2.gz DTSCHSCBJGGNRL-IVZQSRNASA-N 1 1 418.484 4.236 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2)cc1 ZINC000482055910 897482761 /nfs/dbraw/zinc/48/27/61/897482761.db2.gz XMGDJZBMVIMCSC-UHFFFAOYSA-N 1 1 419.525 4.115 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262464 897747421 /nfs/dbraw/zinc/74/74/21/897747421.db2.gz CKDOMNFFAFUTPY-WUMKDDEVSA-N 1 1 402.542 4.315 20 30 HIEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000482446206 898010999 /nfs/dbraw/zinc/01/09/99/898010999.db2.gz CJKBQJYRDUPJRV-RUZDIDTESA-N 1 1 406.526 4.297 20 30 HIEDMO Cc1cccc(CC2(O)CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)c1 ZINC000482946279 898571222 /nfs/dbraw/zinc/57/12/22/898571222.db2.gz NNYHYIPKRRZOEK-UHFFFAOYSA-N 1 1 415.537 4.116 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482965628 898597647 /nfs/dbraw/zinc/59/76/47/898597647.db2.gz SUQZPIMQKABGEF-WDEREUQCSA-N 1 1 407.699 4.047 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483356771 898993430 /nfs/dbraw/zinc/99/34/30/898993430.db2.gz KCWTYNIWAUCLKH-ZJSXRUAMSA-N 1 1 418.541 4.394 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505620117 914321005 /nfs/dbraw/zinc/32/10/05/914321005.db2.gz JVSQDVGLNWUBAK-JOCHJYFZSA-N 1 1 419.569 4.114 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1F ZINC000483714042 899371238 /nfs/dbraw/zinc/37/12/38/899371238.db2.gz NQBYSJIYRGIRLQ-LJQANCHMSA-N 1 1 403.461 4.052 20 30 HIEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484995477 900348402 /nfs/dbraw/zinc/34/84/02/900348402.db2.gz UGHBZUWJQPZBSZ-KRWDZBQOSA-N 1 1 413.493 4.000 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484995477 900348412 /nfs/dbraw/zinc/34/84/12/900348412.db2.gz UGHBZUWJQPZBSZ-KRWDZBQOSA-N 1 1 413.493 4.000 20 30 HIEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000485196649 900489732 /nfs/dbraw/zinc/48/97/32/900489732.db2.gz YANFDSKTLOJCOT-AWEZNQCLSA-N 1 1 401.894 4.078 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000485196649 900489736 /nfs/dbraw/zinc/48/97/36/900489736.db2.gz YANFDSKTLOJCOT-AWEZNQCLSA-N 1 1 401.894 4.078 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335666 900621918 /nfs/dbraw/zinc/62/19/18/900621918.db2.gz PEIFGSGUKKZMTB-ZEYPLWLESA-N 1 1 420.557 4.082 20 30 HIEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000485417307 900715615 /nfs/dbraw/zinc/71/56/15/900715615.db2.gz CJDJOWDLQOWMJO-FQEVSTJZSA-N 1 1 406.530 4.137 20 30 HIEDMO N#C[C@H]1N(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000505832244 914485483 /nfs/dbraw/zinc/48/54/83/914485483.db2.gz KYUBWIIHZZFFBH-AOYPEHQESA-N 1 1 417.553 4.143 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485850146 901094253 /nfs/dbraw/zinc/09/42/53/901094253.db2.gz UJOFWFRMKVWRCO-FQEVSTJZSA-N 1 1 420.557 4.063 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485850146 901094267 /nfs/dbraw/zinc/09/42/67/901094267.db2.gz UJOFWFRMKVWRCO-FQEVSTJZSA-N 1 1 420.557 4.063 20 30 HIEDMO CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc(C#N)c(Cl)c1 ZINC000486323715 901500661 /nfs/dbraw/zinc/50/06/61/901500661.db2.gz LNOCVULDOSLIPR-UHFFFAOYSA-N 1 1 401.804 4.397 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000487366819 902163087 /nfs/dbraw/zinc/16/30/87/902163087.db2.gz XMKCGRDLGRKCPU-SFHVURJKSA-N 1 1 411.571 4.409 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000487400653 902184790 /nfs/dbraw/zinc/18/47/90/902184790.db2.gz DVPRRVCRSXCDNH-LPHOPBHVSA-N 1 1 420.582 4.193 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487936952 902467961 /nfs/dbraw/zinc/46/79/61/902467961.db2.gz UTYVREIJMRQLHW-GOSISDBHSA-N 1 1 413.319 4.059 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487965063 902490702 /nfs/dbraw/zinc/49/07/02/902490702.db2.gz DEWKCNUJAPMQMF-DZGCQCFKSA-N 1 1 405.340 4.095 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3c(C#N)cnc4c(F)cc(F)cc43)CC2)oc1C ZINC000488254679 902727546 /nfs/dbraw/zinc/72/75/46/902727546.db2.gz MDIUETXLFBEJLA-UHFFFAOYSA-N 1 1 411.456 4.314 20 30 HIEDMO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488284654 902746419 /nfs/dbraw/zinc/74/64/19/902746419.db2.gz WYENPGHUXTXWMK-ZDUSSCGKSA-N 1 1 404.308 4.380 20 30 HIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488284654 902746423 /nfs/dbraw/zinc/74/64/23/902746423.db2.gz WYENPGHUXTXWMK-ZDUSSCGKSA-N 1 1 404.308 4.380 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509068 902862838 /nfs/dbraw/zinc/86/28/38/902862838.db2.gz UUIVINCBGOAXMQ-HYBUGGRVSA-N 1 1 405.542 4.134 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488556387 902882167 /nfs/dbraw/zinc/88/21/67/902882167.db2.gz IEAWEFWBMYMFAE-YADHBBJMSA-N 1 1 412.484 4.202 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488556387 902882176 /nfs/dbraw/zinc/88/21/76/902882176.db2.gz IEAWEFWBMYMFAE-YADHBBJMSA-N 1 1 412.484 4.202 20 30 HIEDMO C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000489015852 903122434 /nfs/dbraw/zinc/12/24/34/903122434.db2.gz PZQCVCUWNSEZBZ-DHIUTWEWSA-N 1 1 405.542 4.151 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397609 903365933 /nfs/dbraw/zinc/36/59/33/903365933.db2.gz RVAGLWOXPQDGFO-WMZHIEFXSA-N 1 1 422.598 4.001 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000489817291 903611820 /nfs/dbraw/zinc/61/18/20/903611820.db2.gz GEXCRYCXTKXVEN-GATIMQMVSA-N 1 1 416.569 4.378 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489851796 903631106 /nfs/dbraw/zinc/63/11/06/903631106.db2.gz IFPHKTKSFUYXRF-WMZHIEFXSA-N 1 1 422.529 4.203 20 30 HIEDMO COc1ccc(OC)c(C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C2CC2)c1 ZINC000491205219 904480372 /nfs/dbraw/zinc/48/03/72/904480372.db2.gz KWRAOQCQLZIXOX-UHFFFAOYSA-N 1 1 402.498 4.141 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C2CC2)c1 ZINC000491205219 904480380 /nfs/dbraw/zinc/48/03/80/904480380.db2.gz KWRAOQCQLZIXOX-UHFFFAOYSA-N 1 1 402.498 4.141 20 30 HIEDMO Cn1cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491856475 904712418 /nfs/dbraw/zinc/71/24/18/904712418.db2.gz FHXBREREZYIDOL-UHFFFAOYSA-N 1 1 413.569 4.099 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000492076874 904790560 /nfs/dbraw/zinc/79/05/60/904790560.db2.gz BHLCEMWRDMSYED-REWPJTCUSA-N 1 1 404.514 4.004 20 30 HIEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000492227721 904819935 /nfs/dbraw/zinc/81/99/35/904819935.db2.gz RWNAVAKVNCPVOI-UHFFFAOYSA-N 1 1 415.403 4.252 20 30 HIEDMO C[C@@H](c1cccc(NCc2cc(C#N)ccc2Br)c1)[NH+]1CCOCC1 ZINC000492359544 904839016 /nfs/dbraw/zinc/83/90/16/904839016.db2.gz XRZUXSJCETULAI-HNNXBMFYSA-N 1 1 400.320 4.326 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000492402530 904845371 /nfs/dbraw/zinc/84/53/71/904845371.db2.gz SQINCTJMXCOZAS-HSZRJFAPSA-N 1 1 423.605 4.116 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000492465332 904853819 /nfs/dbraw/zinc/85/38/19/904853819.db2.gz WAUKWOUOIHVYAI-UHFFFAOYSA-N 1 1 413.241 4.442 20 30 HIEDMO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc(OC)c1OC ZINC000492743666 904896667 /nfs/dbraw/zinc/89/66/67/904896667.db2.gz GMOGZXSKPDIZNR-LBPRGKRZSA-N 1 1 405.292 4.197 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000512419751 921148568 /nfs/dbraw/zinc/14/85/68/921148568.db2.gz BWZGPUUPBLGEGA-OXJNMPFZSA-N 1 1 400.567 4.046 20 30 HIEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccc(Cl)cc1 ZINC000494222017 905552729 /nfs/dbraw/zinc/55/27/29/905552729.db2.gz BUGZAVOVMJMZCV-IEBWSBKVSA-N 1 1 418.722 4.036 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791610 905995078 /nfs/dbraw/zinc/99/50/78/905995078.db2.gz FJLRODNIYZBLSF-KNQAVFIVSA-N 1 1 424.589 4.011 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593793 907074139 /nfs/dbraw/zinc/07/41/39/907074139.db2.gz JTOKKQIOJJIRNY-XMSQKQJNSA-N 1 1 421.541 4.322 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621443 907101008 /nfs/dbraw/zinc/10/10/08/907101008.db2.gz VBLDJDQANIEFFG-CYBMUJFWSA-N 1 1 415.419 4.475 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621443 907101026 /nfs/dbraw/zinc/10/10/26/907101026.db2.gz VBLDJDQANIEFFG-CYBMUJFWSA-N 1 1 415.419 4.475 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512710878 921294108 /nfs/dbraw/zinc/29/41/08/921294108.db2.gz BAUBCICPQNGDDQ-TZIWHRDSSA-N 1 1 424.589 4.275 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000512791707 921312320 /nfs/dbraw/zinc/31/23/20/921312320.db2.gz DHGORADLIVNHQY-RLWLMLJZSA-N 1 1 409.489 4.208 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000512791707 921312322 /nfs/dbraw/zinc/31/23/22/921312322.db2.gz DHGORADLIVNHQY-RLWLMLJZSA-N 1 1 409.489 4.208 20 30 HIEDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C2 ZINC000512800756 921314214 /nfs/dbraw/zinc/31/42/14/921314214.db2.gz HKSFVEAUHVYZDP-UHFFFAOYSA-N 1 1 412.578 4.311 20 30 HIEDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C2 ZINC000512800756 921314215 /nfs/dbraw/zinc/31/42/15/921314215.db2.gz HKSFVEAUHVYZDP-UHFFFAOYSA-N 1 1 412.578 4.311 20 30 HIEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000498392757 907876994 /nfs/dbraw/zinc/87/69/94/907876994.db2.gz UNAOMRXUCKNFPU-DHIUTWEWSA-N 1 1 407.514 4.360 20 30 HIEDMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000498644980 908084615 /nfs/dbraw/zinc/08/46/15/908084615.db2.gz VCYWVPQAJSOABU-RPWUZVMVSA-N 1 1 401.554 4.363 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706267 908130601 /nfs/dbraw/zinc/13/06/01/908130601.db2.gz RAEPGWNOTDGEQU-OFNKIYASSA-N 1 1 407.558 4.303 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706268 908131414 /nfs/dbraw/zinc/13/14/14/908131414.db2.gz RAEPGWNOTDGEQU-REWPJTCUSA-N 1 1 407.558 4.303 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCCCC#N ZINC000513042143 921501631 /nfs/dbraw/zinc/50/16/31/921501631.db2.gz VRCOKIJTUOQAPK-DEOSSOPVSA-N 1 1 422.504 4.472 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCCCC#N ZINC000513042143 921501638 /nfs/dbraw/zinc/50/16/38/921501638.db2.gz VRCOKIJTUOQAPK-DEOSSOPVSA-N 1 1 422.504 4.472 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000500393489 909831358 /nfs/dbraw/zinc/83/13/58/909831358.db2.gz KNOXWUFVJAPRKX-JOCHJYFZSA-N 1 1 416.550 4.219 20 30 HIEDMO N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000500393489 909831361 /nfs/dbraw/zinc/83/13/61/909831361.db2.gz KNOXWUFVJAPRKX-JOCHJYFZSA-N 1 1 416.550 4.219 20 30 HIEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000500428793 909851323 /nfs/dbraw/zinc/85/13/23/909851323.db2.gz QRILXXAEBVJNKY-LJQANCHMSA-N 1 1 411.575 4.178 20 30 HIEDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1OCCCC#N ZINC000513088568 921539844 /nfs/dbraw/zinc/53/98/44/921539844.db2.gz ILGIHUWCICYSCX-JOCHJYFZSA-N 1 1 421.541 4.162 20 30 HIEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)n1 ZINC000513103275 921551635 /nfs/dbraw/zinc/55/16/35/921551635.db2.gz SXPHVEXZLSEJIH-UHFFFAOYSA-N 1 1 424.524 4.003 20 30 HIEDMO C=C(CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088006 910287605 /nfs/dbraw/zinc/28/76/05/910287605.db2.gz NBFXSPCFLNBVPC-NQIIRXRSSA-N 1 1 401.913 4.485 20 30 HIEDMO CC[N@@H+](CCNC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)CCC(F)(F)F ZINC000503126934 912089041 /nfs/dbraw/zinc/08/90/41/912089041.db2.gz QLFHSWLBBHCPSP-UHFFFAOYSA-N 1 1 421.332 4.057 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000506467951 915064372 /nfs/dbraw/zinc/06/43/72/915064372.db2.gz VBKJHHMGLIGIGV-SFHVURJKSA-N 1 1 405.517 4.277 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(OCCCC#N)c1 ZINC000506752674 915447717 /nfs/dbraw/zinc/44/77/17/915447717.db2.gz ODZFRJOKDXYJDW-UHFFFAOYSA-N 1 1 416.319 4.202 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(OCCCC#N)c1 ZINC000506752674 915447729 /nfs/dbraw/zinc/44/77/29/915447729.db2.gz ODZFRJOKDXYJDW-UHFFFAOYSA-N 1 1 416.319 4.202 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)N(CCC#N)c1ccccc1 ZINC000507192766 915941818 /nfs/dbraw/zinc/94/18/18/915941818.db2.gz BMHKVAAOAGOAIC-UHFFFAOYSA-N 1 1 402.498 4.153 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225923 915978699 /nfs/dbraw/zinc/97/86/99/915978699.db2.gz ACHKRCZPVAUWSK-HYBUGGRVSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225923 915978718 /nfs/dbraw/zinc/97/87/18/915978718.db2.gz ACHKRCZPVAUWSK-HYBUGGRVSA-N 1 1 405.542 4.184 20 30 HIEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508464443 917248606 /nfs/dbraw/zinc/24/86/06/917248606.db2.gz MIFPXWORBIPJFJ-FCHUYYIVSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508464444 917248762 /nfs/dbraw/zinc/24/87/62/917248762.db2.gz MIFPXWORBIPJFJ-FGZHOGPDSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508478694 917263545 /nfs/dbraw/zinc/26/35/45/917263545.db2.gz SRPWHFKIEPCQGM-CTNGQTDRSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508480826 917265080 /nfs/dbraw/zinc/26/50/80/917265080.db2.gz KPZUMETVVJMKLG-FPOVZHCZSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508696621 917458543 /nfs/dbraw/zinc/45/85/43/917458543.db2.gz HQKKGGLGSRKRLK-REWPJTCUSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000508832417 917584830 /nfs/dbraw/zinc/58/48/30/917584830.db2.gz KIJFUCGNPXOTCJ-SQGPQFPESA-N 1 1 415.969 4.098 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000508832416 917585059 /nfs/dbraw/zinc/58/50/59/917585059.db2.gz KIJFUCGNPXOTCJ-ABSDTBQOSA-N 1 1 415.969 4.098 20 30 HIEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508873374 917626789 /nfs/dbraw/zinc/62/67/89/917626789.db2.gz MRDKZEUNWNFMMW-NQIIRXRSSA-N 1 1 411.981 4.161 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508883776 917638134 /nfs/dbraw/zinc/63/81/34/917638134.db2.gz CPIMUUHQEVPNSV-VXKWHMMOSA-N 1 1 423.605 4.176 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000508930200 917688651 /nfs/dbraw/zinc/68/86/51/917688651.db2.gz KKHSCAIIQOQZOF-HXUWFJFHSA-N 1 1 408.594 4.315 20 30 HIEDMO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000508945942 917703836 /nfs/dbraw/zinc/70/38/36/917703836.db2.gz OYXWOWMSKAYXOJ-QFIPXVFZSA-N 1 1 407.949 4.338 20 30 HIEDMO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508952292 917708329 /nfs/dbraw/zinc/70/83/29/917708329.db2.gz PBVKYWPNYVMWIU-HXUWFJFHSA-N 1 1 403.574 4.376 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508956327 917713313 /nfs/dbraw/zinc/71/33/13/917713313.db2.gz OWLKFRDILIFBNF-JTHBVZDNSA-N 1 1 423.605 4.272 20 30 HIEDMO CCN(C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000509571870 918221137 /nfs/dbraw/zinc/22/11/37/918221137.db2.gz AEFPYQNMWZDMHE-SLFFLAALSA-N 1 1 405.542 4.391 20 30 HIEDMO C=CCOc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000510209241 918757798 /nfs/dbraw/zinc/75/77/98/918757798.db2.gz GKOSNZOIIPSOCG-FPOVZHCZSA-N 1 1 408.542 4.291 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319248 918828309 /nfs/dbraw/zinc/82/83/09/918828309.db2.gz LRJMLWBKNFELHE-RTBURBONSA-N 1 1 403.860 4.178 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1Cl ZINC000510453738 918910850 /nfs/dbraw/zinc/91/08/50/918910850.db2.gz JVMUOIAPXOEROH-HXUWFJFHSA-N 1 1 421.932 4.192 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000510651124 919092302 /nfs/dbraw/zinc/09/23/02/919092302.db2.gz QTCJWJUBIFGMLP-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000511061714 919659388 /nfs/dbraw/zinc/65/93/88/919659388.db2.gz ZDHIMHZHUMPWOS-CQSZACIVSA-N 1 1 414.600 4.456 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000511438521 920048814 /nfs/dbraw/zinc/04/88/14/920048814.db2.gz MEHNGKPLKPEPNV-PKTZIBPZSA-N 1 1 404.514 4.080 20 30 HIEDMO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1O ZINC000511640124 920304532 /nfs/dbraw/zinc/30/45/32/920304532.db2.gz KSCPRXKCRMVXQX-UHFFFAOYSA-N 1 1 414.933 4.131 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1O ZINC000511640124 920304552 /nfs/dbraw/zinc/30/45/52/920304552.db2.gz KSCPRXKCRMVXQX-UHFFFAOYSA-N 1 1 414.933 4.131 20 30 HIEDMO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511710620 920375018 /nfs/dbraw/zinc/37/50/18/920375018.db2.gz UROKOUMQAJXVDZ-JTHBVZDNSA-N 1 1 411.496 4.175 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274385 921029174 /nfs/dbraw/zinc/02/91/74/921029174.db2.gz CILOIACGCBFKBK-PKOBYXMFSA-N 1 1 403.860 4.178 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000512290588 921044358 /nfs/dbraw/zinc/04/43/58/921044358.db2.gz ZRGDLUXXHDMMQM-KHCICDEESA-N 1 1 409.578 4.240 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512348745 921094357 /nfs/dbraw/zinc/09/43/57/921094357.db2.gz WWBXPMWFQUYXTQ-GCJKJVERSA-N 1 1 423.582 4.391 20 30 HIEDMO CC(C)OCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000513536686 921876506 /nfs/dbraw/zinc/87/65/06/921876506.db2.gz NNXZJJDTKKMQSP-UHFFFAOYSA-N 1 1 406.530 4.223 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513668519 921992238 /nfs/dbraw/zinc/99/22/38/921992238.db2.gz ZTODBMSUAPOBCG-ACWUQQCTSA-N 1 1 402.586 4.273 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673102 921994997 /nfs/dbraw/zinc/99/49/97/921994997.db2.gz XIUNNMXJMHQPJK-HFZDXXHNSA-N 1 1 404.473 4.071 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673102 921995009 /nfs/dbraw/zinc/99/50/09/921995009.db2.gz XIUNNMXJMHQPJK-HFZDXXHNSA-N 1 1 404.473 4.071 20 30 HIEDMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000514105850 922434804 /nfs/dbraw/zinc/43/48/04/922434804.db2.gz UDBXYIBPWPIOEW-INIZCTEOSA-N 1 1 401.470 4.020 20 30 HIEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000517133501 924018351 /nfs/dbraw/zinc/01/83/51/924018351.db2.gz IWEZVIWRQHSLTN-SJORKVTESA-N 1 1 411.933 4.321 20 30 HIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517133498 924018365 /nfs/dbraw/zinc/01/83/65/924018365.db2.gz IWEZVIWRQHSLTN-DLBZAZTESA-N 1 1 411.933 4.321 20 30 HIEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000517485894 924223684 /nfs/dbraw/zinc/22/36/84/924223684.db2.gz BVKAZNAZOZZIST-QGZVFWFLSA-N 1 1 417.431 4.350 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654599 926762344 /nfs/dbraw/zinc/76/23/44/926762344.db2.gz ZJVBZDRUTAXGSZ-XMSQKQJNSA-N 1 1 412.493 4.311 20 30 HIEDMO CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000517781117 926834061 /nfs/dbraw/zinc/83/40/61/926834061.db2.gz HVCLYHTVWCUSEG-DEOSSOPVSA-N 1 1 404.558 4.315 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000518169653 927060541 /nfs/dbraw/zinc/06/05/41/927060541.db2.gz RSCBVABAGCZZSZ-SFHVURJKSA-N 1 1 424.570 4.092 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Br)cc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255109 927111851 /nfs/dbraw/zinc/11/18/51/927111851.db2.gz FXAHTZAGVKTBDA-CQSZACIVSA-N 1 1 416.298 4.313 20 30 HIEDMO CC(C)C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000518256582 927114569 /nfs/dbraw/zinc/11/45/69/927114569.db2.gz GYHURZDTSWFSEM-NRFANRHFSA-N 1 1 422.529 4.219 20 30 HIEDMO COc1cccc(OC(F)(F)F)c1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518806240 927503027 /nfs/dbraw/zinc/50/30/27/927503027.db2.gz XMWFBVKDMMOLNL-UHFFFAOYSA-N 1 1 419.447 4.220 20 30 HIEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)c1 ZINC000518941429 927645988 /nfs/dbraw/zinc/64/59/88/927645988.db2.gz XIZOYUAAJAOXDE-FQEVSTJZSA-N 1 1 421.541 4.021 20 30 HIEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000519799739 928082196 /nfs/dbraw/zinc/08/21/96/928082196.db2.gz WYSTUWSMNGCJHI-OAQYLSRUSA-N 1 1 405.885 4.362 20 30 HIEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Br)c1 ZINC000519917937 928151126 /nfs/dbraw/zinc/15/11/26/928151126.db2.gz RVPHCNYZTQURID-UHFFFAOYSA-N 1 1 400.320 4.218 20 30 HIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Br)c1 ZINC000519917937 928151129 /nfs/dbraw/zinc/15/11/29/928151129.db2.gz RVPHCNYZTQURID-UHFFFAOYSA-N 1 1 400.320 4.218 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000520138884 928334060 /nfs/dbraw/zinc/33/40/60/928334060.db2.gz NAAVIURFPLOQQK-OALUTQOASA-N 1 1 423.513 4.032 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000520173092 928362309 /nfs/dbraw/zinc/36/23/09/928362309.db2.gz KDFIPWHJCKDPCV-UHFFFAOYSA-N 1 1 407.436 4.200 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC000524961529 929926067 /nfs/dbraw/zinc/92/60/67/929926067.db2.gz SURUNMBUDKVRAO-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)cc1 ZINC000524961529 929926079 /nfs/dbraw/zinc/92/60/79/929926079.db2.gz SURUNMBUDKVRAO-DEOSSOPVSA-N 1 1 413.477 4.190 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000525001165 929965569 /nfs/dbraw/zinc/96/55/69/929965569.db2.gz GGMDEHRPOWDICC-WMZHIEFXSA-N 1 1 409.530 4.053 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000525001165 929965573 /nfs/dbraw/zinc/96/55/73/929965573.db2.gz GGMDEHRPOWDICC-WMZHIEFXSA-N 1 1 409.530 4.053 20 30 HIEDMO C=CC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530630379 930779260 /nfs/dbraw/zinc/77/92/60/930779260.db2.gz CLTHQRNDBNBLOR-QGZVFWFLSA-N 1 1 405.502 4.013 20 30 HIEDMO C=CC[N@H+](Cc1cc(C(C)=O)ccc1OCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530630379 930779274 /nfs/dbraw/zinc/77/92/74/930779274.db2.gz CLTHQRNDBNBLOR-QGZVFWFLSA-N 1 1 405.502 4.013 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670023 930793424 /nfs/dbraw/zinc/79/34/24/930793424.db2.gz YTZRZXYXYJZFHB-SIKLNZKXSA-N 1 1 415.459 4.319 20 30 HIEDMO N#Cc1cccc(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000531385083 931039857 /nfs/dbraw/zinc/03/98/57/931039857.db2.gz JNVOPIGUJMZXNL-QFIPXVFZSA-N 1 1 401.535 4.078 20 30 HIEDMO N#Cc1cccc(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000531385083 931039865 /nfs/dbraw/zinc/03/98/65/931039865.db2.gz JNVOPIGUJMZXNL-QFIPXVFZSA-N 1 1 401.535 4.078 20 30 HIEDMO COc1ccc2ccccc2c1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCCC1 ZINC000531841064 931216266 /nfs/dbraw/zinc/21/62/66/931216266.db2.gz VMKXJXRMGYOJDC-UHFFFAOYSA-N 1 1 418.541 4.249 20 30 HIEDMO CCN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000532409095 931425470 /nfs/dbraw/zinc/42/54/70/931425470.db2.gz WNUALMIBDAMCRP-GOSISDBHSA-N 1 1 409.505 4.150 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(C#N)cc1 ZINC000532478338 931454640 /nfs/dbraw/zinc/45/46/40/931454640.db2.gz YOJJRBKRHMGHPC-UHFFFAOYSA-N 1 1 400.320 4.480 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(C#N)cc1 ZINC000532478338 931454652 /nfs/dbraw/zinc/45/46/52/931454652.db2.gz YOJJRBKRHMGHPC-UHFFFAOYSA-N 1 1 400.320 4.480 20 30 HIEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1C#N ZINC000532583598 931540350 /nfs/dbraw/zinc/54/03/50/931540350.db2.gz PJBGIKNUBUNBKB-UHFFFAOYSA-N 1 1 416.319 4.050 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000532900612 931685601 /nfs/dbraw/zinc/68/56/01/931685601.db2.gz DUXWFKVMLDMZSP-QGZVFWFLSA-N 1 1 402.560 4.109 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000532900612 931685606 /nfs/dbraw/zinc/68/56/06/931685606.db2.gz DUXWFKVMLDMZSP-QGZVFWFLSA-N 1 1 402.560 4.109 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(C#N)cc1 ZINC000532933463 931702448 /nfs/dbraw/zinc/70/24/48/931702448.db2.gz PQJNULGHOJMQKO-UHFFFAOYSA-N 1 1 400.526 4.082 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533026584 931744177 /nfs/dbraw/zinc/74/41/77/931744177.db2.gz OIPSKGKOKOCIHU-JOCHJYFZSA-N 1 1 417.513 4.179 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533387781 931855867 /nfs/dbraw/zinc/85/58/67/931855867.db2.gz OOPYKDWGGJAVLN-CQSZACIVSA-N 1 1 419.554 4.191 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533419562 931862535 /nfs/dbraw/zinc/86/25/35/931862535.db2.gz HHHMWHFKKWQYJX-IRXDYDNUSA-N 1 1 403.592 4.354 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C(C)(C)C)cc1 ZINC000533874292 932074477 /nfs/dbraw/zinc/07/44/77/932074477.db2.gz WQFXDIPIXXEYKS-UHFFFAOYSA-N 1 1 410.474 4.134 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C(C)(C)C)cc1 ZINC000533874292 932074482 /nfs/dbraw/zinc/07/44/82/932074482.db2.gz WQFXDIPIXXEYKS-UHFFFAOYSA-N 1 1 410.474 4.134 20 30 HIEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC13CCCCC3)CCCC2 ZINC000533992976 932171570 /nfs/dbraw/zinc/17/15/70/932171570.db2.gz OYBIXTHTSXALGB-LJQANCHMSA-N 1 1 424.589 4.155 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018865 932201675 /nfs/dbraw/zinc/20/16/75/932201675.db2.gz IXKWDXZKXJEJDX-JWQCQUIFSA-N 1 1 411.505 4.312 20 30 HIEDMO N#CCc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000534689719 932660284 /nfs/dbraw/zinc/66/02/84/932660284.db2.gz CLYKGNOSJQSPHT-FQEVSTJZSA-N 1 1 415.459 4.279 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753516 932730091 /nfs/dbraw/zinc/73/00/91/932730091.db2.gz KWAHKNWNKBMYJC-LOSJGSFVSA-N 1 1 411.505 4.312 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000535466572 933156653 /nfs/dbraw/zinc/15/66/53/933156653.db2.gz SZRHWBGCYOQDOT-RPBOFIJWSA-N 1 1 411.505 4.312 20 30 HIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629392 933274080 /nfs/dbraw/zinc/27/40/80/933274080.db2.gz ZOTDJCDQDSZXAB-RBUKOAKNSA-N 1 1 411.521 4.280 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000535871188 933453664 /nfs/dbraw/zinc/45/36/64/933453664.db2.gz RFUHSSNNPTYPST-HXUWFJFHSA-N 1 1 412.578 4.169 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000562580127 945102706 /nfs/dbraw/zinc/10/27/06/945102706.db2.gz YBJKWABWGHFXHL-NQIIRXRSSA-N 1 1 404.432 4.272 20 30 HIEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)c1 ZINC000537621740 938336556 /nfs/dbraw/zinc/33/65/56/938336556.db2.gz CQIRWRVTQXDPSH-GOSISDBHSA-N 1 1 401.576 4.123 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 ZINC000538276927 938581644 /nfs/dbraw/zinc/58/16/44/938581644.db2.gz NBAVYVSOLBQOHH-HNAYVOBHSA-N 1 1 401.507 4.136 20 30 HIEDMO COc1ccc(Br)cc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538406762 938613018 /nfs/dbraw/zinc/61/30/18/938613018.db2.gz TWFKSWHDMIHOAQ-UHFFFAOYSA-N 1 1 414.347 4.084 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538521516 938640608 /nfs/dbraw/zinc/64/06/08/938640608.db2.gz BZPLFNYFPSLDSP-LEWJYISDSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538521516 938640612 /nfs/dbraw/zinc/64/06/12/938640612.db2.gz BZPLFNYFPSLDSP-LEWJYISDSA-N 1 1 414.912 4.374 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@H](COCc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000539361424 938848355 /nfs/dbraw/zinc/84/83/55/938848355.db2.gz VRMLRLCFEAZADZ-JOCHJYFZSA-N 1 1 403.482 4.254 20 30 HIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821631 938944454 /nfs/dbraw/zinc/94/44/54/938944454.db2.gz AJZOWXNHQPOISK-FCHUYYIVSA-N 1 1 401.470 4.267 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821631 938944457 /nfs/dbraw/zinc/94/44/57/938944457.db2.gz AJZOWXNHQPOISK-FCHUYYIVSA-N 1 1 401.470 4.267 20 30 HIEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827750 938948859 /nfs/dbraw/zinc/94/88/59/938948859.db2.gz XRMAPBWIFCXYOA-RUZDIDTESA-N 1 1 402.494 4.311 20 30 HIEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccccc3I)CC2)c1 ZINC000539861289 938959636 /nfs/dbraw/zinc/95/96/36/938959636.db2.gz JASQXBOQIUEKSR-UHFFFAOYSA-N 1 1 424.307 4.268 20 30 HIEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000539861327 938960091 /nfs/dbraw/zinc/96/00/91/938960091.db2.gz LLDSVSAOPIPHQL-UHFFFAOYSA-N 1 1 409.530 4.099 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(OC(F)F)c1 ZINC000540057943 939053354 /nfs/dbraw/zinc/05/33/54/939053354.db2.gz XARNKORCFGMXGM-OAHLLOKOSA-N 1 1 413.346 4.227 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(OC(F)F)c1 ZINC000540057943 939053358 /nfs/dbraw/zinc/05/33/58/939053358.db2.gz XARNKORCFGMXGM-OAHLLOKOSA-N 1 1 413.346 4.227 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000540195251 939120106 /nfs/dbraw/zinc/12/01/06/939120106.db2.gz XIQXGJDOAFNMDF-NRFANRHFSA-N 1 1 420.310 4.304 20 30 HIEDMO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1cc(F)ccc1F ZINC000540457032 939258932 /nfs/dbraw/zinc/25/89/32/939258932.db2.gz UPXYOSGAEJLNAM-DNVCBOLYSA-N 1 1 401.457 4.349 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799774 939376888 /nfs/dbraw/zinc/37/68/88/939376888.db2.gz QCMKRKXUODYCAC-IRLDBZIGSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799774 939376891 /nfs/dbraw/zinc/37/68/91/939376891.db2.gz QCMKRKXUODYCAC-IRLDBZIGSA-N 1 1 415.896 4.070 20 30 HIEDMO N#CCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000541038512 939438387 /nfs/dbraw/zinc/43/83/87/939438387.db2.gz HWLRJGCACXTPCO-UHFFFAOYSA-N 1 1 409.361 4.293 20 30 HIEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131991 939472129 /nfs/dbraw/zinc/47/21/29/939472129.db2.gz DBCOCCUUIIRYRA-MHECFPHRSA-N 1 1 403.526 4.046 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC000541320587 939490763 /nfs/dbraw/zinc/49/07/63/939490763.db2.gz ZNBIYADCRPJBIC-YADARESESA-N 1 1 421.541 4.424 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)cc1 ZINC000541389036 939503478 /nfs/dbraw/zinc/50/34/78/939503478.db2.gz MHBSYYXQYRIMDA-UHFFFAOYSA-N 1 1 403.482 4.203 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)cc1 ZINC000541389036 939503484 /nfs/dbraw/zinc/50/34/84/939503484.db2.gz MHBSYYXQYRIMDA-UHFFFAOYSA-N 1 1 403.482 4.203 20 30 HIEDMO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nnc2ccccn21 ZINC000541613872 939571050 /nfs/dbraw/zinc/57/10/50/939571050.db2.gz SYJPXCVMJYULJW-IERDGZPVSA-N 1 1 422.558 4.049 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700965 939608421 /nfs/dbraw/zinc/60/84/21/939608421.db2.gz BACRHHMWTZXVKQ-AZUAARDMSA-N 1 1 401.869 4.141 20 30 HIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000542261599 939775459 /nfs/dbraw/zinc/77/54/59/939775459.db2.gz PCSUBTBMFAVJIB-CAOCKLPOSA-N 1 1 403.526 4.034 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1C#N ZINC000542319463 939798606 /nfs/dbraw/zinc/79/86/06/939798606.db2.gz OGOZJRJUTGSPLB-OAQYLSRUSA-N 1 1 416.525 4.354 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1C#N ZINC000542319463 939798610 /nfs/dbraw/zinc/79/86/10/939798610.db2.gz OGOZJRJUTGSPLB-OAQYLSRUSA-N 1 1 416.525 4.354 20 30 HIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880768 939864877 /nfs/dbraw/zinc/86/48/77/939864877.db2.gz HBPIYJUXZPKZTE-LSDHHAIUSA-N 1 1 409.555 4.453 20 30 HIEDMO O=C(NCC#Cc1ccccc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000543179212 939988004 /nfs/dbraw/zinc/98/80/04/939988004.db2.gz PQWXKXZCRKLZIQ-UHFFFAOYSA-N 1 1 416.352 4.309 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C2CC2)n1 ZINC000543477405 940077813 /nfs/dbraw/zinc/07/78/13/940077813.db2.gz WQCUXGBTQJMXBD-LJQANCHMSA-N 1 1 402.951 4.401 20 30 HIEDMO COc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)ccc1OCc1cccc(C#N)c1 ZINC000543514949 940092315 /nfs/dbraw/zinc/09/23/15/940092315.db2.gz FSYQJZRPSCSCKO-QGZVFWFLSA-N 1 1 413.481 4.039 20 30 HIEDMO C[C@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000543619222 940134767 /nfs/dbraw/zinc/13/47/67/940134767.db2.gz HSYOAXCWKACSCX-GOSISDBHSA-N 1 1 402.498 4.009 20 30 HIEDMO C=CCc1cc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851165 940519173 /nfs/dbraw/zinc/51/91/73/940519173.db2.gz OUCWQFPUTXPDIN-QFIPXVFZSA-N 1 1 408.542 4.169 20 30 HIEDMO N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)nc1 ZINC000564001669 945341627 /nfs/dbraw/zinc/34/16/27/945341627.db2.gz CEHGHMQHRPZBGO-UHFFFAOYSA-N 1 1 423.476 4.169 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483241 941107825 /nfs/dbraw/zinc/10/78/25/941107825.db2.gz JAPGHKCOXZJLGT-VJBMBRPKSA-N 1 1 406.549 4.166 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000548940233 941131422 /nfs/dbraw/zinc/13/14/22/941131422.db2.gz YGYBMLOSDWLPTF-INIZCTEOSA-N 1 1 418.497 4.426 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C2CC2)c(OC)c1 ZINC000548940233 941131423 /nfs/dbraw/zinc/13/14/23/941131423.db2.gz YGYBMLOSDWLPTF-INIZCTEOSA-N 1 1 418.497 4.426 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000549060674 941150917 /nfs/dbraw/zinc/15/09/17/941150917.db2.gz VDCKPSFMDJQOQJ-LJQANCHMSA-N 1 1 406.578 4.318 20 30 HIEDMO CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC000549806944 941207934 /nfs/dbraw/zinc/20/79/34/941207934.db2.gz BIWDATMUAFTJLI-MOPGFXCFSA-N 1 1 400.320 4.041 20 30 HIEDMO C=CCOc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882887 941226037 /nfs/dbraw/zinc/22/60/37/941226037.db2.gz JKDKYLOEAMPKDJ-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO C=CCOc1cccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882887 941226043 /nfs/dbraw/zinc/22/60/43/941226043.db2.gz JKDKYLOEAMPKDJ-DEOSSOPVSA-N 1 1 406.570 4.270 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410786 941472691 /nfs/dbraw/zinc/47/26/91/941472691.db2.gz DSTITVCGMVNEPY-LLVKDONJSA-N 1 1 407.358 4.107 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410786 941472692 /nfs/dbraw/zinc/47/26/92/941472692.db2.gz DSTITVCGMVNEPY-LLVKDONJSA-N 1 1 407.358 4.107 20 30 HIEDMO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000551739275 941536418 /nfs/dbraw/zinc/53/64/18/941536418.db2.gz SFQAYAPQKOKUFT-UHFFFAOYSA-N 1 1 407.905 4.282 20 30 HIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000551739275 941536419 /nfs/dbraw/zinc/53/64/19/941536419.db2.gz SFQAYAPQKOKUFT-UHFFFAOYSA-N 1 1 407.905 4.282 20 30 HIEDMO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCC(CC#N)CC2)c1 ZINC000551846364 941557225 /nfs/dbraw/zinc/55/72/25/941557225.db2.gz ZWBKTAHKYLOEOC-RPBOFIJWSA-N 1 1 401.554 4.363 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1OC ZINC000552133718 941591170 /nfs/dbraw/zinc/59/11/70/941591170.db2.gz QNOUQIMAHCMCMM-GOSISDBHSA-N 1 1 414.571 4.224 20 30 HIEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552243084 941612433 /nfs/dbraw/zinc/61/24/33/941612433.db2.gz PPDDSGIUVAHSKH-IBGZPJMESA-N 1 1 413.529 4.214 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553079343 941829888 /nfs/dbraw/zinc/82/98/88/941829888.db2.gz KUGXCDIMQUKGPY-LJQANCHMSA-N 1 1 411.546 4.183 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1C ZINC000553951666 942005570 /nfs/dbraw/zinc/00/55/70/942005570.db2.gz NLYNTTLBSYMRHZ-RTWAWAEBSA-N 1 1 407.558 4.037 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554634701 942181706 /nfs/dbraw/zinc/18/17/06/942181706.db2.gz XERCEUIZJYQQEP-GOSISDBHSA-N 1 1 415.557 4.300 20 30 HIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000556892077 942954434 /nfs/dbraw/zinc/95/44/34/942954434.db2.gz MVIFYDHYWRQJRC-KRWDZBQOSA-N 1 1 407.489 4.088 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000556892079 942954479 /nfs/dbraw/zinc/95/44/79/942954479.db2.gz MVIFYDHYWRQJRC-QGZVFWFLSA-N 1 1 407.489 4.088 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000557584112 943219254 /nfs/dbraw/zinc/21/92/54/943219254.db2.gz WNQABXVZFCTSEA-KRWDZBQOSA-N 1 1 414.600 4.392 20 30 HIEDMO C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@H+](C2CCC2)C1 ZINC000557835974 943308425 /nfs/dbraw/zinc/30/84/25/943308425.db2.gz BLMBDKJCUSAXGD-IBGZPJMESA-N 1 1 403.526 4.084 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(-c2ccccc2)n1 ZINC000558413691 943552898 /nfs/dbraw/zinc/55/28/98/943552898.db2.gz HMBIFGHJNQEAFI-UHFFFAOYSA-N 1 1 403.505 4.315 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000558426354 943556812 /nfs/dbraw/zinc/55/68/12/943556812.db2.gz KCCYIGZRILLFSE-RUZDIDTESA-N 1 1 418.516 4.030 20 30 HIEDMO N#CC1(c2ccccn2)CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000558594407 943612846 /nfs/dbraw/zinc/61/28/46/943612846.db2.gz VMYZPWVGVHEPLS-UHFFFAOYSA-N 1 1 424.548 4.168 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC2CCC2)c(OC)c1 ZINC000558737374 943636180 /nfs/dbraw/zinc/63/61/80/943636180.db2.gz AUSMZUGYQXGUAK-UHFFFAOYSA-N 1 1 407.514 4.206 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000559003922 943800018 /nfs/dbraw/zinc/80/00/18/943800018.db2.gz JCWOINIKXRDCAB-FYYLOGMGSA-N 1 1 405.590 4.207 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000559056037 943817389 /nfs/dbraw/zinc/81/73/89/943817389.db2.gz LHVBEDBTUSTDFI-OAHLLOKOSA-N 1 1 416.447 4.134 20 30 HIEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000560554062 944252068 /nfs/dbraw/zinc/25/20/68/944252068.db2.gz QAUMDMNUFWWHOH-OAQYLSRUSA-N 1 1 407.558 4.474 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579325 944261279 /nfs/dbraw/zinc/26/12/79/944261279.db2.gz GHYNVJDSOMCXBI-QPPBQGQZSA-N 1 1 417.528 4.242 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000560611513 944273618 /nfs/dbraw/zinc/27/36/18/944273618.db2.gz FBMQMLWJOBKBMD-HXUWFJFHSA-N 1 1 422.363 4.414 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000560611513 944273629 /nfs/dbraw/zinc/27/36/29/944273629.db2.gz FBMQMLWJOBKBMD-HXUWFJFHSA-N 1 1 422.363 4.414 20 30 HIEDMO N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561076599 944430505 /nfs/dbraw/zinc/43/05/05/944430505.db2.gz ROMOWYBTOGESAT-AREMUKBSSA-N 1 1 424.548 4.455 20 30 HIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561127020 944467328 /nfs/dbraw/zinc/46/73/28/944467328.db2.gz NDFSSZKWYQIZBI-HDICACEKSA-N 1 1 416.997 4.197 20 30 HIEDMO N#Cc1cc(Br)ccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000561884320 944836391 /nfs/dbraw/zinc/83/63/91/944836391.db2.gz YZFHMVACPPKRIJ-UHFFFAOYSA-N 1 1 408.303 4.066 20 30 HIEDMO N#Cc1cc(Br)ccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000561884320 944836394 /nfs/dbraw/zinc/83/63/94/944836394.db2.gz YZFHMVACPPKRIJ-UHFFFAOYSA-N 1 1 408.303 4.066 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)cc2F)CC1 ZINC000561886238 944837780 /nfs/dbraw/zinc/83/77/80/944837780.db2.gz XJZFLAWYVBDHJF-IBGZPJMESA-N 1 1 419.504 4.258 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562024733 944899312 /nfs/dbraw/zinc/89/93/12/944899312.db2.gz MXHIRFIOYYXSBE-AVRDEDQJSA-N 1 1 417.557 4.430 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562097608 944937432 /nfs/dbraw/zinc/93/74/32/944937432.db2.gz OGHAJQQOSLYBCD-GOSISDBHSA-N 1 1 407.518 4.379 20 30 HIEDMO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(CC#N)cc4)CC3)cs2)cc1 ZINC000564140933 945398389 /nfs/dbraw/zinc/39/83/89/945398389.db2.gz KDGQJZSGLWNRDB-UHFFFAOYSA-N 1 1 418.566 4.203 20 30 HIEDMO CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000564194418 945428565 /nfs/dbraw/zinc/42/85/65/945428565.db2.gz USBUROFWZGPPNN-HSZRJFAPSA-N 1 1 420.557 4.147 20 30 HIEDMO N#Cc1ccncc1N1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000564275180 945487078 /nfs/dbraw/zinc/48/70/78/945487078.db2.gz CZFPEVWMPAIOJB-UHFFFAOYSA-N 1 1 409.946 4.069 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000564441479 945590014 /nfs/dbraw/zinc/59/00/14/945590014.db2.gz SISVOJVGSKMCBY-UHFFFAOYSA-N 1 1 419.485 4.324 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000564533683 945658925 /nfs/dbraw/zinc/65/89/25/945658925.db2.gz UJIXMJRKPRSPLZ-UHFFFAOYSA-N 1 1 412.415 4.299 20 30 HIEDMO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(OC(F)F)c1 ZINC000567520524 946359460 /nfs/dbraw/zinc/35/94/60/946359460.db2.gz SKAXSUDBQDWIRN-UHFFFAOYSA-N 1 1 406.404 4.351 20 30 HIEDMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000567646450 946390385 /nfs/dbraw/zinc/39/03/85/946390385.db2.gz PJFMWZKBINANHJ-NRFANRHFSA-N 1 1 407.407 4.003 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000568575736 946615322 /nfs/dbraw/zinc/61/53/22/946615322.db2.gz DWIJALXZNGXZQZ-INIZCTEOSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCC2(CCOCC2)C1 ZINC000568575736 946615332 /nfs/dbraw/zinc/61/53/32/946615332.db2.gz DWIJALXZNGXZQZ-INIZCTEOSA-N 1 1 401.576 4.108 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000571365797 947623336 /nfs/dbraw/zinc/62/33/36/947623336.db2.gz SZTNIOYWCQJZAY-KNQAVFIVSA-N 1 1 402.546 4.188 20 30 HIEDMO C=CCn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000571688297 947749183 /nfs/dbraw/zinc/74/91/83/947749183.db2.gz INDXTMQQHSIREL-UHFFFAOYSA-N 1 1 417.504 4.047 20 30 HIEDMO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000573047550 948069569 /nfs/dbraw/zinc/06/95/69/948069569.db2.gz QBYSFYGEVMEWDR-NZQKXSOJSA-N 1 1 416.573 4.112 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006529 948348283 /nfs/dbraw/zinc/34/82/83/948348283.db2.gz SUUNPIRDSQUYRP-GOTSBHOMSA-N 1 1 413.481 4.312 20 30 HIEDMO O=[N+]([O-])c1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028349783 527344650 /nfs/dbraw/zinc/34/46/50/527344650.db2.gz GVBXPKGHHDRVEP-NCELDCMTSA-N 1 1 400.482 4.336 20 30 HIEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629055 719090123 /nfs/dbraw/zinc/09/01/23/719090123.db2.gz QPOYYEVVBRBVJC-SIKLNZKXSA-N 1 1 417.557 4.039 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731176 720488741 /nfs/dbraw/zinc/48/87/41/720488741.db2.gz WJTVZCVJIDBCAO-UXHICEINSA-N 1 1 403.917 4.317 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164838859 720723513 /nfs/dbraw/zinc/72/35/13/720723513.db2.gz JKBVGYCMRIYJLE-HXUWFJFHSA-N 1 1 410.949 4.061 20 30 HIEDMO CCCc1cc(C#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164857223 720972256 /nfs/dbraw/zinc/97/22/56/720972256.db2.gz DRFRVBOJRKOVNG-OAHLLOKOSA-N 1 1 400.958 4.177 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900530 721520814 /nfs/dbraw/zinc/52/08/14/721520814.db2.gz RVZVPCAJPAXLPE-ZBFHGGJFSA-N 1 1 421.303 4.050 20 30 HIEDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(C)c1Cl ZINC001165028091 721801693 /nfs/dbraw/zinc/80/16/93/721801693.db2.gz YFWSTWCALQREMD-YYWHXJBOSA-N 1 1 409.965 4.355 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(Cl)n1 ZINC001164952916 722016965 /nfs/dbraw/zinc/01/69/65/722016965.db2.gz OUWLJFAHHVLETM-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO CC1(C)CCCc2cc(C#N)c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164958887 722024600 /nfs/dbraw/zinc/02/46/00/722024600.db2.gz GPOMYBGBWLBYQN-UHFFFAOYSA-N 1 1 415.585 4.455 20 30 HIEDMO CSc1nc(Cl)c(C#N)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992856 722191294 /nfs/dbraw/zinc/19/12/94/722191294.db2.gz BHMFGCWZBPGJHT-HXUWFJFHSA-N 1 1 417.941 4.108 20 30 HIEDMO CSc1nc(Cl)c(C#N)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992856 722191297 /nfs/dbraw/zinc/19/12/97/722191297.db2.gz BHMFGCWZBPGJHT-HXUWFJFHSA-N 1 1 417.941 4.108 20 30 HIEDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007456751 845337350 /nfs/dbraw/zinc/33/73/50/845337350.db2.gz LCIUCNBYIYVTGZ-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007456751 845337362 /nfs/dbraw/zinc/33/73/62/845337362.db2.gz LCIUCNBYIYVTGZ-UHFFFAOYSA-N 1 1 420.513 4.087 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311670 845511952 /nfs/dbraw/zinc/51/19/52/845511952.db2.gz OWXMOKDNDJSMJJ-RUZDIDTESA-N 1 1 415.541 4.026 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311670 845511962 /nfs/dbraw/zinc/51/19/62/845511962.db2.gz OWXMOKDNDJSMJJ-RUZDIDTESA-N 1 1 415.541 4.026 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000009959208 845608637 /nfs/dbraw/zinc/60/86/37/845608637.db2.gz KTYFYBQPYYWBRK-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000009959208 845608648 /nfs/dbraw/zinc/60/86/48/845608648.db2.gz KTYFYBQPYYWBRK-UHFFFAOYSA-N 1 1 419.447 4.483 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOc3ccccc3F)sc2C1 ZINC000014079383 845924215 /nfs/dbraw/zinc/92/42/15/845924215.db2.gz NLOSGUHBHSYBBF-OAHLLOKOSA-N 1 1 415.534 4.223 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000436359346 861688721 /nfs/dbraw/zinc/68/87/21/861688721.db2.gz DWJNDMBGBJQYBT-KYXKYNKESA-N 1 1 417.553 4.208 20 30 HIEDMO CCc1sc(-c2nnc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000022850418 846628489 /nfs/dbraw/zinc/62/84/89/846628489.db2.gz UMWDVHMMLHKBSN-UHFFFAOYSA-N 1 1 421.570 4.249 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000025679461 847018931 /nfs/dbraw/zinc/01/89/31/847018931.db2.gz OYQZSSQYANOOBO-UHFFFAOYSA-N 1 1 418.541 4.237 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000025679461 847018943 /nfs/dbraw/zinc/01/89/43/847018943.db2.gz OYQZSSQYANOOBO-UHFFFAOYSA-N 1 1 418.541 4.237 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000025933987 847060322 /nfs/dbraw/zinc/06/03/22/847060322.db2.gz FFVFPSSCJZBUQI-UHFFFAOYSA-N 1 1 412.537 4.248 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000028746557 847455853 /nfs/dbraw/zinc/45/58/53/847455853.db2.gz CPODWEVLTMQVES-HXUWFJFHSA-N 1 1 402.523 4.153 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028899506 847474453 /nfs/dbraw/zinc/47/44/53/847474453.db2.gz OBIPCCDPTVPBNH-QGZVFWFLSA-N 1 1 410.949 4.314 20 30 HIEDMO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000029985203 847664071 /nfs/dbraw/zinc/66/40/71/847664071.db2.gz NYKGFJGVZZTSMH-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000029985203 847664076 /nfs/dbraw/zinc/66/40/76/847664076.db2.gz NYKGFJGVZZTSMH-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000042329255 848318876 /nfs/dbraw/zinc/31/88/76/848318876.db2.gz YEACFQXBRXXSCA-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000042329255 848318886 /nfs/dbraw/zinc/31/88/86/848318886.db2.gz YEACFQXBRXXSCA-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741574 848350301 /nfs/dbraw/zinc/35/03/01/848350301.db2.gz MYPQVQKXWZCVLA-ZDUSSCGKSA-N 1 1 404.283 4.481 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741574 848350309 /nfs/dbraw/zinc/35/03/09/848350309.db2.gz MYPQVQKXWZCVLA-ZDUSSCGKSA-N 1 1 404.283 4.481 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046528761 848867068 /nfs/dbraw/zinc/86/70/68/848867068.db2.gz IOGCDEWKNNDJOX-UHFFFAOYSA-N 1 1 403.530 4.424 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000046528761 848867072 /nfs/dbraw/zinc/86/70/72/848867072.db2.gz IOGCDEWKNNDJOX-UHFFFAOYSA-N 1 1 403.530 4.424 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1cccc(Cl)c1 ZINC000047958443 849145167 /nfs/dbraw/zinc/14/51/67/849145167.db2.gz RHFHELZOZCBNJD-UHFFFAOYSA-N 1 1 416.953 4.127 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1cccc(Cl)c1 ZINC000047958443 849145172 /nfs/dbraw/zinc/14/51/72/849145172.db2.gz RHFHELZOZCBNJD-UHFFFAOYSA-N 1 1 416.953 4.127 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccco1 ZINC000048161500 849182812 /nfs/dbraw/zinc/18/28/12/849182812.db2.gz OPCKCDZQSBNACL-QFIPXVFZSA-N 1 1 418.497 4.349 20 30 HIEDMO C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccc(C#N)cc1 ZINC000052580784 849597033 /nfs/dbraw/zinc/59/70/33/849597033.db2.gz FCIZLQSYICHMMP-DEOSSOPVSA-N 1 1 401.535 4.226 20 30 HIEDMO C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccc(C#N)cc1 ZINC000052580784 849597037 /nfs/dbraw/zinc/59/70/37/849597037.db2.gz FCIZLQSYICHMMP-DEOSSOPVSA-N 1 1 401.535 4.226 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993586 849652930 /nfs/dbraw/zinc/65/29/30/849652930.db2.gz PIFWACHVMLUSCX-SZNDQCEHSA-N 1 1 402.926 4.104 20 30 HIEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340381 849849635 /nfs/dbraw/zinc/84/96/35/849849635.db2.gz FPLOUOFTKCFWGD-SFHVURJKSA-N 1 1 409.530 4.007 20 30 HIEDMO CCCCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054451789 849870255 /nfs/dbraw/zinc/87/02/55/849870255.db2.gz SNMHXWFIFFYKQL-UHFFFAOYSA-N 1 1 406.530 4.477 20 30 HIEDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)sc2C1 ZINC000055186178 849984551 /nfs/dbraw/zinc/98/45/51/849984551.db2.gz SSLJFMBTTACJIW-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)sc2C1 ZINC000055186178 849984561 /nfs/dbraw/zinc/98/45/61/849984561.db2.gz SSLJFMBTTACJIW-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000058559589 850855532 /nfs/dbraw/zinc/85/55/32/850855532.db2.gz LNAMKBYWMASQRE-HNNXBMFYSA-N 1 1 412.456 4.275 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000437056540 862251539 /nfs/dbraw/zinc/25/15/39/862251539.db2.gz KUWMCEXAODMZDJ-GOSISDBHSA-N 1 1 420.582 4.147 20 30 HIEDMO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(C#N)c1 ZINC000063300811 851654524 /nfs/dbraw/zinc/65/45/24/851654524.db2.gz WLYZYCZJBXDRBE-UHFFFAOYSA-N 1 1 404.539 4.387 20 30 HIEDMO CC(C)[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000063750497 851754867 /nfs/dbraw/zinc/75/48/67/851754867.db2.gz ILEDZAKCBQEGPF-UHFFFAOYSA-N 1 1 419.447 4.026 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753962 851755562 /nfs/dbraw/zinc/75/55/62/851755562.db2.gz LWXMHJVMEZYENP-UHFFFAOYSA-N 1 1 406.313 4.342 20 30 HIEDMO CC(C)OCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064543726 851924603 /nfs/dbraw/zinc/92/46/03/851924603.db2.gz GFPUBLWPBHMAOK-UHFFFAOYSA-N 1 1 406.530 4.223 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000065439345 852133814 /nfs/dbraw/zinc/13/38/14/852133814.db2.gz AFVFBXBRPQPDBE-UHFFFAOYSA-N 1 1 420.410 4.456 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000065950810 852330638 /nfs/dbraw/zinc/33/06/38/852330638.db2.gz QGYRMCQCXLKFRH-UHFFFAOYSA-N 1 1 405.889 4.000 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000065950810 852330647 /nfs/dbraw/zinc/33/06/47/852330647.db2.gz QGYRMCQCXLKFRH-UHFFFAOYSA-N 1 1 405.889 4.000 20 30 HIEDMO C#CCOc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000078667608 852524991 /nfs/dbraw/zinc/52/49/91/852524991.db2.gz BRCXZOUTHFWXFP-NRFANRHFSA-N 1 1 402.416 4.092 20 30 HIEDMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108054854 852820025 /nfs/dbraw/zinc/82/00/25/852820025.db2.gz AFSYWFYPDPHHPA-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108054854 852820026 /nfs/dbraw/zinc/82/00/26/852820026.db2.gz AFSYWFYPDPHHPA-GOSISDBHSA-N 1 1 411.933 4.022 20 30 HIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000108093928 852821884 /nfs/dbraw/zinc/82/18/84/852821884.db2.gz PGLAVFWVGGLHLR-QFIPXVFZSA-N 1 1 405.542 4.266 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000109257708 852943456 /nfs/dbraw/zinc/94/34/56/852943456.db2.gz HBKOHOXFKHVYOW-QFBILLFUSA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000111218569 853225371 /nfs/dbraw/zinc/22/53/71/853225371.db2.gz ZBFQSONEUMIAAH-UHFFFAOYSA-N 1 1 413.521 4.361 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnc2n1CCCCC2 ZINC000139446702 853411010 /nfs/dbraw/zinc/41/10/10/853411010.db2.gz UOVGWYBAFZNRMD-SFHVURJKSA-N 1 1 401.514 4.306 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148969614 853616029 /nfs/dbraw/zinc/61/60/29/853616029.db2.gz YAXXSNUOVMAIJS-OAQYLSRUSA-N 1 1 410.587 4.454 20 30 HIEDMO COc1cc(C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000150268277 853641896 /nfs/dbraw/zinc/64/18/96/853641896.db2.gz OYQMMSHAXMVOGM-UHFFFAOYSA-N 1 1 415.440 4.161 20 30 HIEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237202145 853981040 /nfs/dbraw/zinc/98/10/40/853981040.db2.gz LYWNKNHQEZHZON-UHFFFAOYSA-N 1 1 403.438 4.344 20 30 HIEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@@H](C)O1 ZINC000237420691 854028737 /nfs/dbraw/zinc/02/87/37/854028737.db2.gz QAMHDVCRKDPVCF-NHCUHLMSSA-N 1 1 407.558 4.268 20 30 HIEDMO C#CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237894469 854116026 /nfs/dbraw/zinc/11/60/26/854116026.db2.gz NOKLRRAJUSKZOI-RUZDIDTESA-N 1 1 419.546 4.290 20 30 HIEDMO Cc1ccc(SCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248104961 854178797 /nfs/dbraw/zinc/17/87/97/854178797.db2.gz LBHQTGNRYYGZCN-UHFFFAOYSA-N 1 1 407.583 4.392 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000301080477 854290165 /nfs/dbraw/zinc/29/01/65/854290165.db2.gz JJHYYRHPUUJLQZ-UHFFFAOYSA-N 1 1 403.555 4.154 20 30 HIEDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC2CCN(CC#N)CC2)n1 ZINC000301656142 854438425 /nfs/dbraw/zinc/43/84/25/854438425.db2.gz LARWDDCHRKUFBJ-UHFFFAOYSA-N 1 1 420.586 4.067 20 30 HIEDMO N#Cc1ccnc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301663577 854440137 /nfs/dbraw/zinc/44/01/37/854440137.db2.gz VMOCCDSALHHMJX-GOSISDBHSA-N 1 1 405.483 4.134 20 30 HIEDMO N#Cc1ccnc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301663577 854440142 /nfs/dbraw/zinc/44/01/42/854440142.db2.gz VMOCCDSALHHMJX-GOSISDBHSA-N 1 1 405.483 4.134 20 30 HIEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508990 854997206 /nfs/dbraw/zinc/99/72/06/854997206.db2.gz BHVFOQWQNCHMDL-ZWKOTPCHSA-N 1 1 402.970 4.127 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508990 854997212 /nfs/dbraw/zinc/99/72/12/854997212.db2.gz BHVFOQWQNCHMDL-ZWKOTPCHSA-N 1 1 402.970 4.127 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000303525637 855013682 /nfs/dbraw/zinc/01/36/82/855013682.db2.gz FZWKZNAUFFINDP-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO N#Cc1c(NC(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000303525637 855013689 /nfs/dbraw/zinc/01/36/89/855013689.db2.gz FZWKZNAUFFINDP-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665071 855116898 /nfs/dbraw/zinc/11/68/98/855116898.db2.gz FAYLSIHNFKATIK-WMLDXEAASA-N 1 1 413.319 4.127 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303667003 855118768 /nfs/dbraw/zinc/11/87/68/855118768.db2.gz WMSOWCSQNUMVKJ-GMAHTHKFSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303738162 855163222 /nfs/dbraw/zinc/16/32/22/855163222.db2.gz HJFBNTITYCSOSB-AUSIDOKSSA-N 1 1 407.583 4.303 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740037 855165009 /nfs/dbraw/zinc/16/50/09/855165009.db2.gz YUECUFZMDKJVCH-SNYIIPAISA-N 1 1 413.583 4.342 20 30 HIEDMO CC1CCN([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccccc2)CC1 ZINC000303892721 855273935 /nfs/dbraw/zinc/27/39/35/855273935.db2.gz RKVUCLZBPOZIIT-NRFANRHFSA-N 1 1 408.546 4.048 20 30 HIEDMO N#Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C(F)(F)F ZINC000409721011 855620315 /nfs/dbraw/zinc/62/03/15/855620315.db2.gz KHYNQDWTILQAAX-UHFFFAOYSA-N 1 1 400.448 4.465 20 30 HIEDMO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000409814872 855668345 /nfs/dbraw/zinc/66/83/45/855668345.db2.gz YXRYASIZHQNAGL-WMZHIEFXSA-N 1 1 413.525 4.042 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000426205048 856175107 /nfs/dbraw/zinc/17/51/07/856175107.db2.gz JFURYVQYUNYLFC-UHFFFAOYSA-N 1 1 400.567 4.047 20 30 HIEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000426385051 856267750 /nfs/dbraw/zinc/26/77/50/856267750.db2.gz KIJYEYCQYUEYNP-SFHVURJKSA-N 1 1 401.432 4.111 20 30 HIEDMO O=C(NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000426393676 856273222 /nfs/dbraw/zinc/27/32/22/856273222.db2.gz GWIRBTHZXCPKMJ-UHFFFAOYSA-N 1 1 404.407 4.090 20 30 HIEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 ZINC000426522187 856332827 /nfs/dbraw/zinc/33/28/27/856332827.db2.gz JUJFQXNLUDFCHJ-IRXDYDNUSA-N 1 1 417.619 4.458 20 30 HIEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 ZINC000426522187 856332836 /nfs/dbraw/zinc/33/28/36/856332836.db2.gz JUJFQXNLUDFCHJ-IRXDYDNUSA-N 1 1 417.619 4.458 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426840421 856508069 /nfs/dbraw/zinc/50/80/69/856508069.db2.gz NTQVQDCJGQYMSR-QFIPXVFZSA-N 1 1 405.889 4.052 20 30 HIEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140641 856665092 /nfs/dbraw/zinc/66/50/92/856665092.db2.gz SYCQGGHFPYOLTI-XUZZJYLKSA-N 1 1 408.542 4.144 20 30 HIEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140641 856665101 /nfs/dbraw/zinc/66/51/01/856665101.db2.gz SYCQGGHFPYOLTI-XUZZJYLKSA-N 1 1 408.542 4.144 20 30 HIEDMO CCOC1(C)CC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000428712479 857306699 /nfs/dbraw/zinc/30/66/99/857306699.db2.gz SQHYRKMOGYYINP-UHFFFAOYSA-N 1 1 420.557 4.057 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nc4ccccc4n3C)sc2C1 ZINC000428754859 857320870 /nfs/dbraw/zinc/32/08/70/857320870.db2.gz WEIUUXNBTZEDAL-OAHLLOKOSA-N 1 1 421.570 4.092 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nc4ccccc4n3C)sc2C1 ZINC000428754859 857320878 /nfs/dbraw/zinc/32/08/78/857320878.db2.gz WEIUUXNBTZEDAL-OAHLLOKOSA-N 1 1 421.570 4.092 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811622 857356419 /nfs/dbraw/zinc/35/64/19/857356419.db2.gz JUIDGMCYTJTLNG-UPVQGACJSA-N 1 1 412.493 4.095 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811622 857356420 /nfs/dbraw/zinc/35/64/20/857356420.db2.gz JUIDGMCYTJTLNG-UPVQGACJSA-N 1 1 412.493 4.095 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926918 857421528 /nfs/dbraw/zinc/42/15/28/857421528.db2.gz DCKWRWOQDFXVFW-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926918 857421534 /nfs/dbraw/zinc/42/15/34/857421534.db2.gz DCKWRWOQDFXVFW-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069935 857492384 /nfs/dbraw/zinc/49/23/84/857492384.db2.gz SHPQJKWOYRKPCQ-MAUKXSAKSA-N 1 1 414.456 4.192 20 30 HIEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400480 857643989 /nfs/dbraw/zinc/64/39/89/857643989.db2.gz FFIRHDZXHAVGOH-JOCHJYFZSA-N 1 1 424.614 4.223 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244977 858094828 /nfs/dbraw/zinc/09/48/28/858094828.db2.gz ZFVPYUKVGHGYMU-OXQOHEQNSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244977 858094832 /nfs/dbraw/zinc/09/48/32/858094832.db2.gz ZFVPYUKVGHGYMU-OXQOHEQNSA-N 1 1 419.294 4.037 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430773546 858299193 /nfs/dbraw/zinc/29/91/93/858299193.db2.gz VECULYSGGGVGKA-SFHVURJKSA-N 1 1 401.576 4.082 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430914563 858369418 /nfs/dbraw/zinc/36/94/18/858369418.db2.gz LRHTUKMTVZNKOI-GBXCKJPGSA-N 1 1 423.532 4.185 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430914563 858369419 /nfs/dbraw/zinc/36/94/19/858369419.db2.gz LRHTUKMTVZNKOI-GBXCKJPGSA-N 1 1 423.532 4.185 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 ZINC000431123613 858456773 /nfs/dbraw/zinc/45/67/73/858456773.db2.gz DFUOBGAOWBJFJO-UHFFFAOYSA-N 1 1 415.497 4.317 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 ZINC000431123613 858456777 /nfs/dbraw/zinc/45/67/77/858456777.db2.gz DFUOBGAOWBJFJO-UHFFFAOYSA-N 1 1 415.497 4.317 20 30 HIEDMO N#CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000431154361 858474037 /nfs/dbraw/zinc/47/40/37/858474037.db2.gz YWPGXCXHMWSUDU-FCHUYYIVSA-N 1 1 407.945 4.366 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000431209115 858504071 /nfs/dbraw/zinc/50/40/71/858504071.db2.gz PYVGYWOEICSXOC-MAUKXSAKSA-N 1 1 414.456 4.334 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431698036 858746393 /nfs/dbraw/zinc/74/63/93/858746393.db2.gz QYONVHYWZFNVII-HYBUGGRVSA-N 1 1 402.542 4.309 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)c1 ZINC000433083937 859515509 /nfs/dbraw/zinc/51/55/09/859515509.db2.gz RIVMUQVZYABNQX-UHFFFAOYSA-N 1 1 413.525 4.096 20 30 HIEDMO C[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329266 859646674 /nfs/dbraw/zinc/64/66/74/859646674.db2.gz GDLPKMXIEANPIN-HYBUGGRVSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329266 859646682 /nfs/dbraw/zinc/64/66/82/859646682.db2.gz GDLPKMXIEANPIN-HYBUGGRVSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000467690248 881483521 /nfs/dbraw/zinc/48/35/21/881483521.db2.gz COCQLABXQKSCOL-XMSQKQJNSA-N 1 1 412.493 4.138 20 30 HIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(c2cnccn2)CC1 ZINC000434738362 860477233 /nfs/dbraw/zinc/47/72/33/860477233.db2.gz RXRWZOMDLSSYPR-UHFFFAOYSA-N 1 1 411.553 4.277 20 30 HIEDMO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434798838 860498665 /nfs/dbraw/zinc/49/86/65/860498665.db2.gz MEXDDRXJSJAPTJ-FQEVSTJZSA-N 1 1 404.539 4.394 20 30 HIEDMO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434834567 860513715 /nfs/dbraw/zinc/51/37/15/860513715.db2.gz RZMWULVLFHKFPE-UHFFFAOYSA-N 1 1 420.948 4.143 20 30 HIEDMO C=CC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cc(Br)ccc1F ZINC000434842304 860517875 /nfs/dbraw/zinc/51/78/75/860517875.db2.gz PGGRQTWBNRDGKM-UHFFFAOYSA-N 1 1 424.289 4.326 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cc(Br)ccc1F ZINC000434842304 860517881 /nfs/dbraw/zinc/51/78/81/860517881.db2.gz PGGRQTWBNRDGKM-UHFFFAOYSA-N 1 1 424.289 4.326 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000434897207 860542541 /nfs/dbraw/zinc/54/25/41/860542541.db2.gz UYLXEHLBWYVGIG-SIKLNZKXSA-N 1 1 416.525 4.434 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc2)cs1 ZINC000434987726 860587386 /nfs/dbraw/zinc/58/73/86/860587386.db2.gz VMVHTJUVZVIRPE-XMMPIXPASA-N 1 1 418.566 4.413 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000435123074 860650881 /nfs/dbraw/zinc/65/08/81/860650881.db2.gz DZKHVZMAAQGJES-OAQYLSRUSA-N 1 1 415.541 4.322 20 30 HIEDMO N#CCCn1cc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000435131276 860655227 /nfs/dbraw/zinc/65/52/27/860655227.db2.gz CNXAQPFVHPCXIW-DEOSSOPVSA-N 1 1 415.541 4.121 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000437744598 863069616 /nfs/dbraw/zinc/06/96/16/863069616.db2.gz KQTAQAASCIGCEO-AVRDEDQJSA-N 1 1 406.530 4.278 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000437861451 863220836 /nfs/dbraw/zinc/22/08/36/863220836.db2.gz BJUXGZIVIYLIIG-HXUWFJFHSA-N 1 1 407.514 4.257 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437960974 863331615 /nfs/dbraw/zinc/33/16/15/863331615.db2.gz GVXLXJNCVRFSQW-GHTZIAJQSA-N 1 1 406.530 4.392 20 30 HIEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1Cc1ccccc1 ZINC000438456839 863881109 /nfs/dbraw/zinc/88/11/09/863881109.db2.gz QNINDOOKPCRZAN-TZIWHRDSSA-N 1 1 422.598 4.226 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438595521 864023099 /nfs/dbraw/zinc/02/30/99/864023099.db2.gz IZGXHJXJYGTFQD-UHFFFAOYSA-N 1 1 420.557 4.305 20 30 HIEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000438652279 864094691 /nfs/dbraw/zinc/09/46/91/864094691.db2.gz AQZWLUUWMQEBET-SFHVURJKSA-N 1 1 407.514 4.061 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000438843792 864337666 /nfs/dbraw/zinc/33/76/66/864337666.db2.gz WQUCYCRRFRBNTL-ROKPMTFOSA-N 1 1 420.557 4.140 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438852263 864346320 /nfs/dbraw/zinc/34/63/20/864346320.db2.gz MVGHVHCCVSOBSK-VAXXYWNWSA-N 1 1 419.573 4.265 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438852263 864346337 /nfs/dbraw/zinc/34/63/37/864346337.db2.gz MVGHVHCCVSOBSK-VAXXYWNWSA-N 1 1 419.573 4.265 20 30 HIEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000439031581 864487229 /nfs/dbraw/zinc/48/72/29/864487229.db2.gz ZNRXEDYXUPIGMS-UHFFFAOYSA-N 1 1 401.432 4.234 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439579959 864900578 /nfs/dbraw/zinc/90/05/78/864900578.db2.gz HMHPRUYOGYZKTF-JOCHJYFZSA-N 1 1 418.585 4.488 20 30 HIEDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)c2ccc(F)cc2)cc1 ZINC000440419704 865718454 /nfs/dbraw/zinc/71/84/54/865718454.db2.gz WEUBTKWRGHAFPP-JOCHJYFZSA-N 1 1 407.445 4.234 20 30 HIEDMO CC(C)c1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000440487151 865791936 /nfs/dbraw/zinc/79/19/36/865791936.db2.gz OBULNNYUGNNKQP-OAHLLOKOSA-N 1 1 411.575 4.119 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000440982182 866064724 /nfs/dbraw/zinc/06/47/24/866064724.db2.gz ALJJHKVLKSEMAP-RLFPARDHSA-N 1 1 406.933 4.101 20 30 HIEDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000441075418 866168065 /nfs/dbraw/zinc/16/80/65/866168065.db2.gz AZCORWMPUYFENG-UHFFFAOYSA-N 1 1 409.555 4.284 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103677 866201755 /nfs/dbraw/zinc/20/17/55/866201755.db2.gz LBRUWVQNYJDTGE-CQSZACIVSA-N 1 1 408.449 4.242 20 30 HIEDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000441105277 866203550 /nfs/dbraw/zinc/20/35/50/866203550.db2.gz QJLUWGRNDPHUDA-FQEVSTJZSA-N 1 1 410.587 4.181 20 30 HIEDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000441105277 866203566 /nfs/dbraw/zinc/20/35/66/866203566.db2.gz QJLUWGRNDPHUDA-FQEVSTJZSA-N 1 1 410.587 4.181 20 30 HIEDMO CC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000441229821 866306224 /nfs/dbraw/zinc/30/62/24/866306224.db2.gz JINIYHINKPRCQX-OAHLLOKOSA-N 1 1 422.485 4.217 20 30 HIEDMO CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000441229821 866306246 /nfs/dbraw/zinc/30/62/46/866306246.db2.gz JINIYHINKPRCQX-OAHLLOKOSA-N 1 1 422.485 4.217 20 30 HIEDMO COc1ccc(CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)C)cc1OC ZINC000441379213 866448589 /nfs/dbraw/zinc/44/85/89/866448589.db2.gz FRCIKHHOEQQTIY-UHFFFAOYSA-N 1 1 420.513 4.326 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)CC1CCCCC1 ZINC000441394145 866465686 /nfs/dbraw/zinc/46/56/86/866465686.db2.gz OCFRDKMITGIIKN-UHFFFAOYSA-N 1 1 401.507 4.331 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CCO)c1ccccc1 ZINC000441404816 866479624 /nfs/dbraw/zinc/47/96/24/866479624.db2.gz OGMBPFUUISXABQ-FQEVSTJZSA-N 1 1 411.571 4.273 20 30 HIEDMO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000441548328 866624865 /nfs/dbraw/zinc/62/48/65/866624865.db2.gz YVMKQJJHNUIYOE-XMSQKQJNSA-N 1 1 401.514 4.266 20 30 HIEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000441861039 866926325 /nfs/dbraw/zinc/92/63/25/866926325.db2.gz TVRJRDVDGIBHKM-UHFFFAOYSA-N 1 1 423.557 4.240 20 30 HIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000442886497 867717986 /nfs/dbraw/zinc/71/79/86/867717986.db2.gz SJJNASSNKDFCRA-GOSISDBHSA-N 1 1 404.514 4.334 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000443524383 868082299 /nfs/dbraw/zinc/08/22/99/868082299.db2.gz SXOYSBHTOBCZKW-UHFFFAOYSA-N 1 1 400.404 4.809 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443646015 868236358 /nfs/dbraw/zinc/23/63/58/868236358.db2.gz CNKAVLJACMJZEV-HNNXBMFYSA-N 1 1 424.501 4.401 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443646015 868236394 /nfs/dbraw/zinc/23/63/94/868236394.db2.gz CNKAVLJACMJZEV-HNNXBMFYSA-N 1 1 424.501 4.401 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)C[C@@H](C)O1 ZINC000443875907 868407359 /nfs/dbraw/zinc/40/73/59/868407359.db2.gz HBYLNJMEVJPYOK-HUUCEWRRSA-N 1 1 417.431 4.439 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000444080511 868605216 /nfs/dbraw/zinc/60/52/16/868605216.db2.gz SBJNRZMFCDPXQW-UHFFFAOYSA-N 1 1 404.283 4.311 20 30 HIEDMO CC1CCC([N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]2CCCO2)CC1 ZINC000444199146 868661852 /nfs/dbraw/zinc/66/18/52/868661852.db2.gz REBHSYQBNPTGBM-DAWZGUTISA-N 1 1 415.603 4.497 20 30 HIEDMO CC1CCC([N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]2CCCO2)CC1 ZINC000444210155 868668427 /nfs/dbraw/zinc/66/84/27/868668427.db2.gz DWDMFVSXPZCEMO-ACBHZAAOSA-N 1 1 401.576 4.300 20 30 HIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248086 868695574 /nfs/dbraw/zinc/69/55/74/868695574.db2.gz VWEVALJHIUZIOS-XZOQPEGZSA-N 1 1 413.525 4.259 20 30 HIEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F ZINC000444664387 868942576 /nfs/dbraw/zinc/94/25/76/868942576.db2.gz NPZUJDNOLMALEL-NSHDSACASA-N 1 1 403.820 4.246 20 30 HIEDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000444674927 868952953 /nfs/dbraw/zinc/95/29/53/868952953.db2.gz KVNVOHZDAMFBPX-OJLPUSQMSA-N 1 1 417.504 4.401 20 30 HIEDMO CS[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000444684878 868958632 /nfs/dbraw/zinc/95/86/32/868958632.db2.gz LYXJMAZDKDLXAB-DNQXCXABSA-N 1 1 405.611 4.398 20 30 HIEDMO CS[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000444684878 868958640 /nfs/dbraw/zinc/95/86/40/868958640.db2.gz LYXJMAZDKDLXAB-DNQXCXABSA-N 1 1 405.611 4.398 20 30 HIEDMO C=CC[C@H]1[N@@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777196 868998268 /nfs/dbraw/zinc/99/82/68/868998268.db2.gz FEJLMLCIUJUUEF-GOSISDBHSA-N 1 1 401.507 4.329 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000444870310 869068324 /nfs/dbraw/zinc/06/83/24/869068324.db2.gz HRQBDPXDDHFCAP-UHFFFAOYSA-N 1 1 403.442 4.198 20 30 HIEDMO COc1cc(SC)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000446403268 870305430 /nfs/dbraw/zinc/30/54/30/870305430.db2.gz UEUCPMSJUCZCHK-UHFFFAOYSA-N 1 1 410.543 4.029 20 30 HIEDMO COc1cc(SC)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000446403268 870305448 /nfs/dbraw/zinc/30/54/48/870305448.db2.gz UEUCPMSJUCZCHK-UHFFFAOYSA-N 1 1 410.543 4.029 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000446717920 870632445 /nfs/dbraw/zinc/63/24/45/870632445.db2.gz FSDUGJSSAKDTBB-XBXARRHUSA-N 1 1 400.444 4.268 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000447342518 871242008 /nfs/dbraw/zinc/24/20/08/871242008.db2.gz UNEXQSNPETYZKT-QRQCRPRQSA-N 1 1 417.525 4.374 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cc1 ZINC000448225644 872137945 /nfs/dbraw/zinc/13/79/45/872137945.db2.gz OGCMCOVIKGPIIS-WIYYLYMNSA-N 1 1 421.570 4.086 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC000448283086 872208753 /nfs/dbraw/zinc/20/87/53/872208753.db2.gz XAXRKLSHORMBPH-OAQYLSRUSA-N 1 1 421.589 4.178 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448451761 872398158 /nfs/dbraw/zinc/39/81/58/872398158.db2.gz ZOEMJCKGUMBNJS-SQJMNOBHSA-N 1 1 415.537 4.226 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460783558 873640527 /nfs/dbraw/zinc/64/05/27/873640527.db2.gz PDSYNSLMTDTJAX-BZSNNMDCSA-N 1 1 401.530 4.052 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460961155 873857578 /nfs/dbraw/zinc/85/75/78/873857578.db2.gz UYBQRUUCMKHWKS-FCEUIQTBSA-N 1 1 409.578 4.195 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000461275022 874284373 /nfs/dbraw/zinc/28/43/73/874284373.db2.gz BPOHFRDNFRPQDC-UHFFFAOYSA-N 1 1 422.492 4.023 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461492674 874560992 /nfs/dbraw/zinc/56/09/92/874560992.db2.gz YUODDBGORNPCFV-PXNSSMCTSA-N 1 1 420.586 4.236 20 30 HIEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3nc(C)c(C#N)cc3Cl)CC2)c1C ZINC000461782121 874904926 /nfs/dbraw/zinc/90/49/26/874904926.db2.gz YWRCZSMPUPKJNO-UHFFFAOYSA-N 1 1 413.953 4.036 20 30 HIEDMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000462603070 875717505 /nfs/dbraw/zinc/71/75/05/875717505.db2.gz OEPHCQXGOAZYTO-QGZVFWFLSA-N 1 1 400.482 4.300 20 30 HIEDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468916164 882975649 /nfs/dbraw/zinc/97/56/49/882975649.db2.gz JIFCYLKNVIFXBJ-JYFHCDHNSA-N 1 1 414.505 4.106 20 30 HIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCOc3ccc(C#N)cc3)c2c1C ZINC000462909408 875933816 /nfs/dbraw/zinc/93/38/16/875933816.db2.gz MVUHMBXRIDVZQR-UHFFFAOYSA-N 1 1 407.543 4.267 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035998 876058439 /nfs/dbraw/zinc/05/84/39/876058439.db2.gz RPFYXPQVBQRTQK-VWLOTQADSA-N 1 1 408.542 4.195 20 30 HIEDMO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000468942934 883010335 /nfs/dbraw/zinc/01/03/35/883010335.db2.gz JPJRMCMEJPIUOW-XXBNENTESA-N 1 1 402.542 4.344 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429749 876484160 /nfs/dbraw/zinc/48/41/60/876484160.db2.gz KQJIQXHWQSYFBT-XMMPIXPASA-N 1 1 410.583 4.220 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429749 876484170 /nfs/dbraw/zinc/48/41/70/876484170.db2.gz KQJIQXHWQSYFBT-XMMPIXPASA-N 1 1 410.583 4.220 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594190 876704082 /nfs/dbraw/zinc/70/40/82/876704082.db2.gz SQIUTBYKYPNYOJ-DLBZAZTESA-N 1 1 422.504 4.252 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594190 876704110 /nfs/dbraw/zinc/70/41/10/876704110.db2.gz SQIUTBYKYPNYOJ-DLBZAZTESA-N 1 1 422.504 4.252 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000463760486 876884192 /nfs/dbraw/zinc/88/41/92/876884192.db2.gz PGUYSKZDDQCKFB-UHFFFAOYSA-N 1 1 408.542 4.244 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c1 ZINC000464000296 877135572 /nfs/dbraw/zinc/13/55/72/877135572.db2.gz SEHDAGQHOLUWOI-UHFFFAOYSA-N 1 1 404.470 4.021 20 30 HIEDMO Cc1ccc(CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]2CCCO2)cc1 ZINC000464782100 878028920 /nfs/dbraw/zinc/02/89/20/878028920.db2.gz VCMMWRXTEQJVRX-NRFANRHFSA-N 1 1 423.582 4.273 20 30 HIEDMO Cc1ccc(CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]2CCCO2)cc1 ZINC000464782100 878028935 /nfs/dbraw/zinc/02/89/35/878028935.db2.gz VCMMWRXTEQJVRX-NRFANRHFSA-N 1 1 423.582 4.273 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464841051 878109288 /nfs/dbraw/zinc/10/92/88/878109288.db2.gz WDHBJNHDKCFKDN-DEOSSOPVSA-N 1 1 418.585 4.004 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841879 878111814 /nfs/dbraw/zinc/11/18/14/878111814.db2.gz YSFFLGYZZJHDSX-OAQYLSRUSA-N 1 1 409.599 4.357 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc1OC ZINC000465201670 878606133 /nfs/dbraw/zinc/60/61/33/878606133.db2.gz YSWRMGATLIYSJS-GOSISDBHSA-N 1 1 410.514 4.233 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000465471864 878907713 /nfs/dbraw/zinc/90/77/13/878907713.db2.gz WUXKJEGTULSJHR-GAJHUEQPSA-N 1 1 402.498 4.333 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465748008 879335132 /nfs/dbraw/zinc/33/51/32/879335132.db2.gz FQDPSPINXSUYCY-QLBRKBSLSA-N 1 1 402.542 4.303 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438208 912449039 /nfs/dbraw/zinc/44/90/39/912449039.db2.gz SUUBWXFICIIYEW-QFBILLFUSA-N 1 1 417.962 4.058 20 30 HIEDMO C=CCOc1ccccc1CNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465904525 879566074 /nfs/dbraw/zinc/56/60/74/879566074.db2.gz WMBMDHVDZGOMPE-QFIPXVFZSA-N 1 1 407.558 4.305 20 30 HIEDMO C[N@@H+](CCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1)Cc1ccccc1 ZINC000466969368 880770287 /nfs/dbraw/zinc/77/02/87/880770287.db2.gz NTOBMMSWAJDCTC-UHFFFAOYSA-N 1 1 418.566 4.192 20 30 HIEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466984079 880792425 /nfs/dbraw/zinc/79/24/25/880792425.db2.gz LPZGGUKZQKQBDG-QGZVFWFLSA-N 1 1 415.459 4.415 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000467029956 880829332 /nfs/dbraw/zinc/82/93/32/880829332.db2.gz XRSGUZIHHOAVSY-NQIIRXRSSA-N 1 1 415.493 4.123 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192342 880921209 /nfs/dbraw/zinc/92/12/09/880921209.db2.gz TXKIYRGOPDCIBJ-QUCCMNQESA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192342 880921215 /nfs/dbraw/zinc/92/12/15/880921215.db2.gz TXKIYRGOPDCIBJ-QUCCMNQESA-N 1 1 419.294 4.037 20 30 HIEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469180037 883280714 /nfs/dbraw/zinc/28/07/14/883280714.db2.gz MWIDHHQVSWDVEK-LJQANCHMSA-N 1 1 419.403 4.029 20 30 HIEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469180037 883280732 /nfs/dbraw/zinc/28/07/32/883280732.db2.gz MWIDHHQVSWDVEK-LJQANCHMSA-N 1 1 419.403 4.029 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469193103 883292980 /nfs/dbraw/zinc/29/29/80/883292980.db2.gz HKMBQXZHHYPTPJ-UYAOXDASSA-N 1 1 409.555 4.310 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469193103 883292999 /nfs/dbraw/zinc/29/29/99/883292999.db2.gz HKMBQXZHHYPTPJ-UYAOXDASSA-N 1 1 409.555 4.310 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469225462 883326750 /nfs/dbraw/zinc/32/67/50/883326750.db2.gz RWSJFXYYQQBQNO-PGRDOPGGSA-N 1 1 414.509 4.338 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442300 883635133 /nfs/dbraw/zinc/63/51/33/883635133.db2.gz GWHSRFRKTMZKDS-OJAHFUOMSA-N 1 1 410.480 4.186 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469472250 883698139 /nfs/dbraw/zinc/69/81/39/883698139.db2.gz JHRWSYXHPSDQLA-HOTGVXAUSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469472250 883698156 /nfs/dbraw/zinc/69/81/56/883698156.db2.gz JHRWSYXHPSDQLA-HOTGVXAUSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469472251 883699195 /nfs/dbraw/zinc/69/91/95/883699195.db2.gz JHRWSYXHPSDQLA-HZPDHXFCSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469472251 883699218 /nfs/dbraw/zinc/69/92/18/883699218.db2.gz JHRWSYXHPSDQLA-HZPDHXFCSA-N 1 1 401.432 4.229 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000469757132 883921798 /nfs/dbraw/zinc/92/17/98/883921798.db2.gz PLWOPHXGQFYLQX-NSHDSACASA-N 1 1 422.348 4.297 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000469990837 884207076 /nfs/dbraw/zinc/20/70/76/884207076.db2.gz LUPIOPYDHCRJOY-VHYCJAOWSA-N 1 1 417.553 4.419 20 30 HIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000470011616 884227880 /nfs/dbraw/zinc/22/78/80/884227880.db2.gz LSXVIDQJXCPJOX-ZDUSSCGKSA-N 1 1 400.338 4.124 20 30 HIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000470011616 884227891 /nfs/dbraw/zinc/22/78/91/884227891.db2.gz LSXVIDQJXCPJOX-ZDUSSCGKSA-N 1 1 400.338 4.124 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccncc4)cc3F)C2=O)cc1 ZINC000503926735 912867303 /nfs/dbraw/zinc/86/73/03/912867303.db2.gz HBJZZMRSYNNFLU-HSZRJFAPSA-N 1 1 400.457 4.045 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](CCCO)[C@@H]1CCCc3ccccc31)CCC2 ZINC000471032147 885539808 /nfs/dbraw/zinc/53/98/08/885539808.db2.gz OKJJKARVERYZMU-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885817008 /nfs/dbraw/zinc/81/70/08/885817008.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 1 1 407.558 4.308 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885817015 /nfs/dbraw/zinc/81/70/15/885817015.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885817024 /nfs/dbraw/zinc/81/70/24/885817024.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 1 1 407.558 4.308 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885817029 /nfs/dbraw/zinc/81/70/29/885817029.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 1 1 407.558 4.308 20 30 HIEDMO C[C@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000471458675 886136359 /nfs/dbraw/zinc/13/63/59/886136359.db2.gz DZAPVGZTCGEHRW-LJQANCHMSA-N 1 1 417.509 4.371 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745947 886471569 /nfs/dbraw/zinc/47/15/69/886471569.db2.gz JOYVMFCDVCINKS-DFIYOIEZSA-N 1 1 414.553 4.035 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000504336692 913177212 /nfs/dbraw/zinc/17/72/12/913177212.db2.gz ADUDBWYFSCQPDI-REWPJTCUSA-N 1 1 419.569 4.255 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000473165962 887944447 /nfs/dbraw/zinc/94/44/47/887944447.db2.gz JQVUNJXPPXJTDS-INIZCTEOSA-N 1 1 421.570 4.431 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000473281734 888037277 /nfs/dbraw/zinc/03/72/77/888037277.db2.gz QEXABZFHIHQFFT-HROJSSOGSA-N 1 1 408.542 4.146 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614803 888354441 /nfs/dbraw/zinc/35/44/41/888354441.db2.gz NIZGGMLJCKMUQF-CPJSRVTESA-N 1 1 402.542 4.317 20 30 HIEDMO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614805 888354767 /nfs/dbraw/zinc/35/47/67/888354767.db2.gz NIZGGMLJCKMUQF-NLFFAJNJSA-N 1 1 402.542 4.317 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C)c(OC)c1 ZINC000474167929 889006341 /nfs/dbraw/zinc/00/63/41/889006341.db2.gz HGBWTUVTBWMDLK-UHFFFAOYSA-N 1 1 415.559 4.493 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C)c(OC)c1 ZINC000474167929 889006356 /nfs/dbraw/zinc/00/63/56/889006356.db2.gz HGBWTUVTBWMDLK-UHFFFAOYSA-N 1 1 415.559 4.493 20 30 HIEDMO N#Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000474333657 889206557 /nfs/dbraw/zinc/20/65/57/889206557.db2.gz UZIJFPHZBOQTPP-UHFFFAOYSA-N 1 1 413.319 4.107 20 30 HIEDMO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000474999235 889850666 /nfs/dbraw/zinc/85/06/66/889850666.db2.gz GCOBLWABDRFURG-FQEVSTJZSA-N 1 1 422.529 4.076 20 30 HIEDMO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000474999235 889850670 /nfs/dbraw/zinc/85/06/70/889850670.db2.gz GCOBLWABDRFURG-FQEVSTJZSA-N 1 1 422.529 4.076 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475883448 890817586 /nfs/dbraw/zinc/81/75/86/890817586.db2.gz VCIJDXIFZPGYGO-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475883448 890817590 /nfs/dbraw/zinc/81/75/90/890817590.db2.gz VCIJDXIFZPGYGO-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476043462 890974298 /nfs/dbraw/zinc/97/42/98/890974298.db2.gz RWDFFTXVFNRPFE-UHFFFAOYSA-N 1 1 419.573 4.416 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000476597581 891531954 /nfs/dbraw/zinc/53/19/54/891531954.db2.gz NUUSTWMBEGBAMH-BFMBIBTESA-N 1 1 403.526 4.177 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948236 891885742 /nfs/dbraw/zinc/88/57/42/891885742.db2.gz CDIXHVJTSLCZKO-CVDCTZTESA-N 1 1 413.512 4.446 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477074976 892010677 /nfs/dbraw/zinc/01/06/77/892010677.db2.gz FXEZHOWSBJAZRQ-NRFANRHFSA-N 1 1 400.473 4.254 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000477946544 893035076 /nfs/dbraw/zinc/03/50/76/893035076.db2.gz YXZRRFXDYABQNT-RUZDIDTESA-N 1 1 418.541 4.475 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000478804875 894078554 /nfs/dbraw/zinc/07/85/54/894078554.db2.gz HISWQURALYFZBI-LJQANCHMSA-N 1 1 402.542 4.279 20 30 HIEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000479061130 894320378 /nfs/dbraw/zinc/32/03/78/894320378.db2.gz WRKRYUWJZKICAT-UHFFFAOYSA-N 1 1 400.482 4.179 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000479280014 894556386 /nfs/dbraw/zinc/55/63/86/894556386.db2.gz JBHCKLBCQXMRMX-DEOSSOPVSA-N 1 1 423.605 4.389 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000479507787 894822161 /nfs/dbraw/zinc/82/21/61/894822161.db2.gz DBUIZTWIMXPPJX-JOCHJYFZSA-N 1 1 418.585 4.343 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2NCCc2cn3c([nH+]2)CCCC3)c1Br ZINC000479937846 895288122 /nfs/dbraw/zinc/28/81/22/895288122.db2.gz DOHAZNVNNNEIOA-UHFFFAOYSA-N 1 1 410.319 4.365 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480061705 895409028 /nfs/dbraw/zinc/40/90/28/895409028.db2.gz PSDQJYLPQVFCDY-HNNXBMFYSA-N 1 1 401.352 4.346 20 30 HIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097629 895461802 /nfs/dbraw/zinc/46/18/02/895461802.db2.gz MSONOMVVYFVCPA-XZOQPEGZSA-N 1 1 413.525 4.341 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000480702350 896064190 /nfs/dbraw/zinc/06/41/90/896064190.db2.gz VSTMJDMHHPNWJL-BTYIYWSLSA-N 1 1 406.498 4.473 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(Br)c1 ZINC000481282050 896628532 /nfs/dbraw/zinc/62/85/32/896628532.db2.gz HZYZONRSVPHCDU-GOSISDBHSA-N 1 1 422.330 4.485 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)c(F)c1 ZINC000481593099 896971887 /nfs/dbraw/zinc/97/18/87/896971887.db2.gz BTDYGVGJFUPTSV-QHCPKHFHSA-N 1 1 414.496 4.036 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000481606021 896986584 /nfs/dbraw/zinc/98/65/84/896986584.db2.gz POECAAZJKORPSA-DEOSSOPVSA-N 1 1 414.496 4.379 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(F)c(F)c1 ZINC000481605386 896986660 /nfs/dbraw/zinc/98/66/60/896986660.db2.gz HRJNUUUIBHGBHN-ASSNKEHSSA-N 1 1 417.456 4.166 20 30 HIEDMO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481650141 897036093 /nfs/dbraw/zinc/03/60/93/897036093.db2.gz LVPBWJKYOXUJMS-RTBURBONSA-N 1 1 405.951 4.334 20 30 HIEDMO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1F ZINC000481739732 897135583 /nfs/dbraw/zinc/13/55/83/897135583.db2.gz JDWZQWHBGGYTTP-UHFFFAOYSA-N 1 1 419.460 4.138 20 30 HIEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCCOC2)O1 ZINC000482446792 898010049 /nfs/dbraw/zinc/01/00/49/898010049.db2.gz CPBYCISQKCPCSN-RUZDIDTESA-N 1 1 406.526 4.297 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(SCC#N)c3)CC[N@H+]2C2CC2)c1 ZINC000482790695 898399330 /nfs/dbraw/zinc/39/93/30/898399330.db2.gz HUNFDVDJKYKFKU-YADHBBJMSA-N 1 1 407.539 4.019 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@@H]21 ZINC000483040765 898709257 /nfs/dbraw/zinc/70/92/57/898709257.db2.gz AFRSXMRYRNNMOC-QPPBQGQZSA-N 1 1 418.541 4.280 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)CCc2ccccn2)cc1 ZINC000483066291 898745642 /nfs/dbraw/zinc/74/56/42/898745642.db2.gz GKFYUXHSYABAHI-UHFFFAOYSA-N 1 1 420.538 4.097 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1OC ZINC000483503092 899163484 /nfs/dbraw/zinc/16/34/84/899163484.db2.gz OMLKWSZQSCZLRK-UHFFFAOYSA-N 1 1 412.349 4.079 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)cc1OC ZINC000483503092 899163492 /nfs/dbraw/zinc/16/34/92/899163492.db2.gz OMLKWSZQSCZLRK-UHFFFAOYSA-N 1 1 412.349 4.079 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483677743 899337272 /nfs/dbraw/zinc/33/72/72/899337272.db2.gz FYRVQEADBAYZQZ-DEOSSOPVSA-N 1 1 404.558 4.389 20 30 HIEDMO COC(=O)[C@@H](C)[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCC1 ZINC000484496698 899987365 /nfs/dbraw/zinc/98/73/65/899987365.db2.gz DXOPGNZJSXNMHM-QGZVFWFLSA-N 1 1 408.498 4.062 20 30 HIEDMO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCC1 ZINC000484496698 899987372 /nfs/dbraw/zinc/98/73/72/899987372.db2.gz DXOPGNZJSXNMHM-QGZVFWFLSA-N 1 1 408.498 4.062 20 30 HIEDMO N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000484793984 900200242 /nfs/dbraw/zinc/20/02/42/900200242.db2.gz RCDJQRROKMVSDA-HSZRJFAPSA-N 1 1 415.562 4.468 20 30 HIEDMO N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000484793984 900200257 /nfs/dbraw/zinc/20/02/57/900200257.db2.gz RCDJQRROKMVSDA-HSZRJFAPSA-N 1 1 415.562 4.468 20 30 HIEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484995478 900348708 /nfs/dbraw/zinc/34/87/08/900348708.db2.gz UGHBZUWJQPZBSZ-QGZVFWFLSA-N 1 1 413.493 4.000 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000484995478 900348717 /nfs/dbraw/zinc/34/87/17/900348717.db2.gz UGHBZUWJQPZBSZ-QGZVFWFLSA-N 1 1 413.493 4.000 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485469746 900764221 /nfs/dbraw/zinc/76/42/21/900764221.db2.gz WWTAQZOOHORZGX-VXKWHMMOSA-N 1 1 410.583 4.374 20 30 HIEDMO C=CCSc1ccccc1C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485469746 900764227 /nfs/dbraw/zinc/76/42/27/900764227.db2.gz WWTAQZOOHORZGX-VXKWHMMOSA-N 1 1 410.583 4.374 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 ZINC000486218879 901401940 /nfs/dbraw/zinc/40/19/40/901401940.db2.gz SUQWXZKJRYAPHD-UHFFFAOYSA-N 1 1 407.514 4.250 20 30 HIEDMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)CCC2 ZINC000505910941 914554697 /nfs/dbraw/zinc/55/46/97/914554697.db2.gz FNVCKVZGYURHFN-DEOSSOPVSA-N 1 1 416.525 4.147 20 30 HIEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000486973149 901999177 /nfs/dbraw/zinc/99/91/77/901999177.db2.gz FBSFOHMJJIRSOP-KNKQGSTJSA-N 1 1 419.525 4.064 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)cc1OC ZINC000488399215 902807594 /nfs/dbraw/zinc/80/75/94/902807594.db2.gz QHVIIWXVKCGGSA-UHFFFAOYSA-N 1 1 406.320 4.017 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464532 902838820 /nfs/dbraw/zinc/83/88/20/902838820.db2.gz JUSSTPXSOQBNFG-JXFKEZNVSA-N 1 1 402.523 4.133 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Cl)cc1 ZINC000488704431 902954136 /nfs/dbraw/zinc/95/41/36/902954136.db2.gz RTCVTNNQTXTOAS-SFHVURJKSA-N 1 1 417.962 4.458 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Cl)cc1 ZINC000488704429 902954617 /nfs/dbraw/zinc/95/46/17/902954617.db2.gz RTCVTNNQTXTOAS-GOSISDBHSA-N 1 1 417.962 4.458 20 30 HIEDMO CC[N@H+](Cc1cccc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000488791674 903003023 /nfs/dbraw/zinc/00/30/23/903003023.db2.gz DCESEKGUVYYORB-MRXNPFEDSA-N 1 1 404.333 4.010 20 30 HIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000488791674 903003036 /nfs/dbraw/zinc/00/30/36/903003036.db2.gz DCESEKGUVYYORB-MRXNPFEDSA-N 1 1 404.333 4.010 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000489106280 903199738 /nfs/dbraw/zinc/19/97/38/903199738.db2.gz UNQPCFKCABBYOT-HNNXBMFYSA-N 1 1 400.573 4.163 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489529021 903440022 /nfs/dbraw/zinc/44/00/22/903440022.db2.gz IPKJKEJIGXBVPL-YKSBVNFPSA-N 1 1 404.558 4.390 20 30 HIEDMO C=CCC[C@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000489669690 903532696 /nfs/dbraw/zinc/53/26/96/903532696.db2.gz VTCGEWCFAKRNKN-DEOSSOPVSA-N 1 1 419.569 4.082 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000489681463 903541379 /nfs/dbraw/zinc/54/13/79/903541379.db2.gz URYURZQJVWNJEG-UHFFFAOYSA-N 1 1 422.598 4.085 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330008 903917890 /nfs/dbraw/zinc/91/78/90/903917890.db2.gz YJKPSKOUAOKBMK-FGZHOGPDSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490330008 903917899 /nfs/dbraw/zinc/91/78/99/903917899.db2.gz YJKPSKOUAOKBMK-FGZHOGPDSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H](O)COc1cccc2ccccc21 ZINC000506084304 914790276 /nfs/dbraw/zinc/79/02/76/914790276.db2.gz AUIFJJIFQHUGAD-JOCHJYFZSA-N 1 1 414.509 4.009 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000506149218 914825403 /nfs/dbraw/zinc/82/54/03/914825403.db2.gz WUBIMASXVYJJEY-HNNXBMFYSA-N 1 1 403.383 4.138 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1)CC(F)(F)F ZINC000492482445 904855626 /nfs/dbraw/zinc/85/56/26/904855626.db2.gz HNHRQQVUCGMMOP-CQSZACIVSA-N 1 1 404.274 4.027 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515556 904862940 /nfs/dbraw/zinc/86/29/40/904862940.db2.gz OCEADBZZUVQBHB-QRWLVFNGSA-N 1 1 419.447 4.154 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000492719051 904893492 /nfs/dbraw/zinc/89/34/92/904893492.db2.gz CPMXCWSZTONKKX-UHFFFAOYSA-N 1 1 422.330 4.485 20 30 HIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493635059 905177131 /nfs/dbraw/zinc/17/71/31/905177131.db2.gz LNFAIUHUJAAGGA-CQSZACIVSA-N 1 1 403.383 4.138 20 30 HIEDMO C[C@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494069309 905406795 /nfs/dbraw/zinc/40/67/95/905406795.db2.gz ODYHUHNDMAIUMH-MBSDFSHPSA-N 1 1 412.493 4.138 20 30 HIEDMO C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494069307 905406888 /nfs/dbraw/zinc/40/68/88/905406888.db2.gz ODYHUHNDMAIUMH-FDDCHVKYSA-N 1 1 412.493 4.138 20 30 HIEDMO CN1C(=O)C[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1c1ccc(Cl)cc1 ZINC000494265379 905590362 /nfs/dbraw/zinc/59/03/62/905590362.db2.gz OUKMWBJKJMFDGQ-PKOBYXMFSA-N 1 1 418.722 4.036 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494327423 905639251 /nfs/dbraw/zinc/63/92/51/905639251.db2.gz QJEQSWKLXXXGAT-KDURUIRLSA-N 1 1 409.530 4.218 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779441 905978058 /nfs/dbraw/zinc/97/80/58/905978058.db2.gz VKVUNBOVHALRNW-LJQANCHMSA-N 1 1 412.578 4.011 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CO[C@H](C)Cc3[nH]cc[nH+]3)sc2C1 ZINC000495250437 906338178 /nfs/dbraw/zinc/33/81/78/906338178.db2.gz BBSAZAFYYNHVET-CABCVRRESA-N 1 1 414.575 4.470 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3Br)CC2)c1 ZINC000512629872 921268029 /nfs/dbraw/zinc/26/80/29/921268029.db2.gz UCOZEEGIIFIKER-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594040 907074388 /nfs/dbraw/zinc/07/43/88/907074388.db2.gz ONSYWRWHBBZKKF-SFHVURJKSA-N 1 1 416.525 4.239 20 30 HIEDMO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594040 907074402 /nfs/dbraw/zinc/07/44/02/907074402.db2.gz ONSYWRWHBBZKKF-SFHVURJKSA-N 1 1 416.525 4.239 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000497593378 907074535 /nfs/dbraw/zinc/07/45/35/907074535.db2.gz AUYCSISQESUVGU-GCJKJVERSA-N 1 1 419.525 4.076 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599746 907079806 /nfs/dbraw/zinc/07/98/06/907079806.db2.gz KPXQRNAZLLLUPL-ROUUACIJSA-N 1 1 409.530 4.144 20 30 HIEDMO CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617392 907095151 /nfs/dbraw/zinc/09/51/51/907095151.db2.gz DAHNOLDUGWUACK-AWEZNQCLSA-N 1 1 401.894 4.250 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617392 907095163 /nfs/dbraw/zinc/09/51/63/907095163.db2.gz DAHNOLDUGWUACK-AWEZNQCLSA-N 1 1 401.894 4.250 20 30 HIEDMO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1Cl ZINC000512798350 921313160 /nfs/dbraw/zinc/31/31/60/921313160.db2.gz VQPHZWJFOANNCR-HNNXBMFYSA-N 1 1 415.896 4.071 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)c(F)c1 ZINC000512817288 921321232 /nfs/dbraw/zinc/32/12/32/921321232.db2.gz LHRGEMIVBDJMTK-DEOSSOPVSA-N 1 1 421.516 4.294 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)c(F)c1 ZINC000512828506 921333259 /nfs/dbraw/zinc/33/32/59/921333259.db2.gz PMVDEVARPKVGQF-UHFFFAOYSA-N 1 1 416.500 4.415 20 30 HIEDMO N#Cc1ccc(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000498462718 907929681 /nfs/dbraw/zinc/92/96/81/907929681.db2.gz SFRBSQFWYSOWBN-JOCHJYFZSA-N 1 1 401.535 4.078 20 30 HIEDMO N#Cc1ccc(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000498462718 907929699 /nfs/dbraw/zinc/92/96/99/907929699.db2.gz SFRBSQFWYSOWBN-JOCHJYFZSA-N 1 1 401.535 4.078 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@H+]2C2CC2)c1 ZINC000498531047 908000390 /nfs/dbraw/zinc/00/03/90/908000390.db2.gz YUJOJGSCHXDHDH-NHCUHLMSSA-N 1 1 410.905 4.320 20 30 HIEDMO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498701924 908126628 /nfs/dbraw/zinc/12/66/28/908126628.db2.gz HUEKCVPXPXHJDZ-XXBNENTESA-N 1 1 402.542 4.143 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498715742 908142343 /nfs/dbraw/zinc/14/23/43/908142343.db2.gz OJEUCRFJMQBDCS-DENIHFKCSA-N 1 1 422.529 4.203 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000512923056 921417073 /nfs/dbraw/zinc/41/70/73/921417073.db2.gz POUDYBVJERSQSF-MRXNPFEDSA-N 1 1 406.486 4.131 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000499841989 908972226 /nfs/dbraw/zinc/97/22/26/908972226.db2.gz VBOWKLALFRHCHN-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000499841989 908972236 /nfs/dbraw/zinc/97/22/36/908972236.db2.gz VBOWKLALFRHCHN-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO CCC[C@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000499895437 909019420 /nfs/dbraw/zinc/01/94/20/909019420.db2.gz OOSLURBPDGFRDI-ROUUACIJSA-N 1 1 404.580 4.045 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000513126235 921570391 /nfs/dbraw/zinc/57/03/91/921570391.db2.gz PRRUKUDUCRKNMH-QHCPKHFHSA-N 1 1 408.542 4.291 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)CC3(C)C)sc2C1 ZINC000501774895 910829374 /nfs/dbraw/zinc/82/93/74/910829374.db2.gz LNEZGUOISDGWOX-MRXNPFEDSA-N 1 1 416.635 4.125 20 30 HIEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)o2)cc1 ZINC000513216471 921631704 /nfs/dbraw/zinc/63/17/04/921631704.db2.gz CQVQTIIWFZCGAM-OAQYLSRUSA-N 1 1 415.493 4.125 20 30 HIEDMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502170814 911093874 /nfs/dbraw/zinc/09/38/74/911093874.db2.gz JFYMEKXIZLEHAL-UHFFFAOYSA-N 1 1 406.511 4.434 20 30 HIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502172687 911095188 /nfs/dbraw/zinc/09/51/88/911095188.db2.gz JMWRYQHRRAIIQH-GOSISDBHSA-N 1 1 418.541 4.359 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000502267013 911216624 /nfs/dbraw/zinc/21/66/24/911216624.db2.gz CQEXNPYEZGHSNT-UHFFFAOYSA-N 1 1 417.459 4.461 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327779 911305177 /nfs/dbraw/zinc/30/51/77/911305177.db2.gz SCSMRRKHZUFYLP-HXUWFJFHSA-N 1 1 408.546 4.290 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC000502356457 911337748 /nfs/dbraw/zinc/33/77/48/911337748.db2.gz BQJNAWGBUFHSJX-LJQANCHMSA-N 1 1 410.949 4.423 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC000502356457 911337770 /nfs/dbraw/zinc/33/77/70/911337770.db2.gz BQJNAWGBUFHSJX-LJQANCHMSA-N 1 1 410.949 4.423 20 30 HIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1F ZINC000502359554 911342360 /nfs/dbraw/zinc/34/23/60/911342360.db2.gz IFIAKANDUOPYEY-IBGZPJMESA-N 1 1 403.461 4.052 20 30 HIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1F ZINC000502359554 911342382 /nfs/dbraw/zinc/34/23/82/911342382.db2.gz IFIAKANDUOPYEY-IBGZPJMESA-N 1 1 403.461 4.052 20 30 HIEDMO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000513253726 921659181 /nfs/dbraw/zinc/65/91/81/921659181.db2.gz CXEIZHGIRFTYOF-FQEVSTJZSA-N 1 1 413.521 4.388 20 30 HIEDMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507461 911511348 /nfs/dbraw/zinc/51/13/48/911511348.db2.gz OEFJWEZYFJQDEO-OSFWOZTASA-N 1 1 404.510 4.129 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC=C(c3ccc(C#N)cc3)CC1)CCC2 ZINC000502513109 911516977 /nfs/dbraw/zinc/51/69/77/911516977.db2.gz VIYHHOBSGWMKHK-UHFFFAOYSA-N 1 1 402.523 4.098 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513321982 921712756 /nfs/dbraw/zinc/71/27/56/921712756.db2.gz YMSSQJZVIOIMKU-UHFFFAOYSA-N 1 1 423.542 4.184 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506369295 914993543 /nfs/dbraw/zinc/99/35/43/914993543.db2.gz LSGQMLAPEVHXDP-UHFFFAOYSA-N 1 1 422.548 4.070 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506478495 915083119 /nfs/dbraw/zinc/08/31/19/915083119.db2.gz ASFZJHRBXXPQIP-SFHVURJKSA-N 1 1 405.517 4.420 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCN(CC(F)(F)F)CC3)c2)c1 ZINC000506560242 915206136 /nfs/dbraw/zinc/20/61/36/915206136.db2.gz HRJIJCOVVCAJDZ-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)c2)c1 ZINC000506560242 915206166 /nfs/dbraw/zinc/20/61/66/915206166.db2.gz HRJIJCOVVCAJDZ-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000513391671 921763249 /nfs/dbraw/zinc/76/32/49/921763249.db2.gz FOFJSTPEDNFZEU-UHFFFAOYSA-N 1 1 418.566 4.302 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)c(F)c1 ZINC000507165010 915904286 /nfs/dbraw/zinc/90/42/86/915904286.db2.gz MJEAUUPTQOLNJU-UHFFFAOYSA-N 1 1 421.303 4.155 20 30 HIEDMO COc1ccccc1C[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218739 915970041 /nfs/dbraw/zinc/97/00/41/915970041.db2.gz LXGAGQPJXDIPDR-NBGIEHNGSA-N 1 1 407.558 4.183 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000507657604 916422253 /nfs/dbraw/zinc/42/22/53/916422253.db2.gz ILFBIHRCFJKUJJ-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000507657604 916422265 /nfs/dbraw/zinc/42/22/65/916422265.db2.gz ILFBIHRCFJKUJJ-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000507824089 916622016 /nfs/dbraw/zinc/62/20/16/916622016.db2.gz NIEGLFLKLYXPJP-IAGOWNOFSA-N 1 1 411.933 4.321 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000508429447 917217531 /nfs/dbraw/zinc/21/75/31/917217531.db2.gz XNTJERALBBZMEF-OFNKIYASSA-N 1 1 407.558 4.446 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508478696 917263721 /nfs/dbraw/zinc/26/37/21/917263721.db2.gz SRPWHFKIEPCQGM-FPOVZHCZSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508480471 917264942 /nfs/dbraw/zinc/26/49/42/917264942.db2.gz HGLXBBLQWDITQH-JOCHJYFZSA-N 1 1 419.548 4.152 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508480827 917265370 /nfs/dbraw/zinc/26/53/70/917265370.db2.gz KPZUMETVVJMKLG-PZJWPPBQSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508504022 917288801 /nfs/dbraw/zinc/28/88/01/917288801.db2.gz ISFOOVBYWKBPMG-IBGZPJMESA-N 1 1 404.562 4.156 20 30 HIEDMO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508507562 917293041 /nfs/dbraw/zinc/29/30/41/917293041.db2.gz ICAPFZOWTFXWHP-JOCHJYFZSA-N 1 1 409.578 4.089 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000508678615 917441599 /nfs/dbraw/zinc/44/15/99/917441599.db2.gz QDCKYGVGSAYAIX-GZEZKRSXSA-N 1 1 424.589 4.071 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508791244 917547566 /nfs/dbraw/zinc/54/75/66/917547566.db2.gz ADHSIXKKCYTCRG-NQIIRXRSSA-N 1 1 411.619 4.154 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508791253 917547670 /nfs/dbraw/zinc/54/76/70/917547670.db2.gz ADHSIXKKCYTCRG-WIYYLYMNSA-N 1 1 411.619 4.154 20 30 HIEDMO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508793178 917549510 /nfs/dbraw/zinc/54/95/10/917549510.db2.gz HNMLZFDYIXBPJZ-ROUUACIJSA-N 1 1 417.985 4.426 20 30 HIEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508800062 917555675 /nfs/dbraw/zinc/55/56/75/917555675.db2.gz DIZBUYQCOWPSOL-LJQANCHMSA-N 1 1 423.586 4.296 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508829212 917581628 /nfs/dbraw/zinc/58/16/28/917581628.db2.gz SIVMGGSUKMHLIA-NHCUHLMSSA-N 1 1 423.605 4.154 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508914867 917671782 /nfs/dbraw/zinc/67/17/82/917671782.db2.gz VGMHYIGKLXGFMK-GOSISDBHSA-N 1 1 403.530 4.042 20 30 HIEDMO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508930314 917688702 /nfs/dbraw/zinc/68/87/02/917688702.db2.gz KSRKVIJJUJRVIJ-MRXNPFEDSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000508949322 917706695 /nfs/dbraw/zinc/70/66/95/917706695.db2.gz HDKNEKJIMKLOHZ-HXUWFJFHSA-N 1 1 418.589 4.484 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000508951617 917708370 /nfs/dbraw/zinc/70/83/70/917708370.db2.gz NCCZTPYVVJXBCQ-KRWDZBQOSA-N 1 1 408.937 4.063 20 30 HIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509093037 917834397 /nfs/dbraw/zinc/83/43/97/917834397.db2.gz GREXOVFNXHTXBK-UHFFFAOYSA-N 1 1 403.505 4.212 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509278892 917963763 /nfs/dbraw/zinc/96/37/63/917963763.db2.gz KNPKVKGRERIHTO-UHFFFAOYSA-N 1 1 411.303 4.174 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509278892 917963773 /nfs/dbraw/zinc/96/37/73/917963773.db2.gz KNPKVKGRERIHTO-UHFFFAOYSA-N 1 1 411.303 4.174 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000510520066 918965970 /nfs/dbraw/zinc/96/59/70/918965970.db2.gz WTYZWTLLIFWFOZ-UHFFFAOYSA-N 1 1 408.509 4.208 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000510520066 918965983 /nfs/dbraw/zinc/96/59/83/918965983.db2.gz WTYZWTLLIFWFOZ-UHFFFAOYSA-N 1 1 408.509 4.208 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645246 919086680 /nfs/dbraw/zinc/08/66/80/919086680.db2.gz HFXMNXQMNVYOMY-NHCUHLMSSA-N 1 1 418.541 4.108 20 30 HIEDMO CC(C)C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000510644571 919086905 /nfs/dbraw/zinc/08/69/05/919086905.db2.gz JEYRFKOANZUGST-NRFANRHFSA-N 1 1 422.529 4.219 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000511438522 920049262 /nfs/dbraw/zinc/04/92/62/920049262.db2.gz MEHNGKPLKPEPNV-XZOQPEGZSA-N 1 1 404.514 4.080 20 30 HIEDMO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCCC[C@@H]1C ZINC000511471629 920080687 /nfs/dbraw/zinc/08/06/87/920080687.db2.gz BFUQQDVHAOWSLN-ZWKOTPCHSA-N 1 1 419.529 4.195 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000511650371 920317387 /nfs/dbraw/zinc/31/73/87/920317387.db2.gz TXTYURJTFWNXLM-UHFFFAOYSA-N 1 1 414.933 4.262 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000511650371 920317407 /nfs/dbraw/zinc/31/74/07/920317407.db2.gz TXTYURJTFWNXLM-UHFFFAOYSA-N 1 1 414.933 4.262 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000511656537 920324584 /nfs/dbraw/zinc/32/45/84/920324584.db2.gz NMQUXQJIAYNVMK-UHFFFAOYSA-N 1 1 411.933 4.371 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511680681 920343442 /nfs/dbraw/zinc/34/34/42/920343442.db2.gz JIKQOBNZWRKUCA-RZUBCFFCSA-N 1 1 408.567 4.408 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782162 920473169 /nfs/dbraw/zinc/47/31/69/920473169.db2.gz XEWBHLKLDQMIJI-VTZPFEBOSA-N 1 1 413.521 4.242 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511793307 920486376 /nfs/dbraw/zinc/48/63/76/920486376.db2.gz QBAWHXSEWWMTKC-DSNGMDLFSA-N 1 1 417.553 4.055 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511793304 920486666 /nfs/dbraw/zinc/48/66/66/920486666.db2.gz QBAWHXSEWWMTKC-DSITVLBTSA-N 1 1 417.553 4.055 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512348747 921093931 /nfs/dbraw/zinc/09/39/31/921093931.db2.gz WWBXPMWFQUYXTQ-XMSQKQJNSA-N 1 1 423.582 4.391 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512352541 921097207 /nfs/dbraw/zinc/09/72/07/921097207.db2.gz NVIROEBEKBTPEL-GCJKJVERSA-N 1 1 423.582 4.249 20 30 HIEDMO N#C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513662341 921984956 /nfs/dbraw/zinc/98/49/56/921984956.db2.gz ZSCKOKXUGOMMIU-HFZDXXHNSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513662341 921984964 /nfs/dbraw/zinc/98/49/64/921984964.db2.gz ZSCKOKXUGOMMIU-HFZDXXHNSA-N 1 1 409.489 4.111 20 30 HIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000514247554 922589560 /nfs/dbraw/zinc/58/95/60/922589560.db2.gz BVEDGMDYJIQIJA-UHFFFAOYSA-N 1 1 417.509 4.371 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000514492326 922647346 /nfs/dbraw/zinc/64/73/46/922647346.db2.gz OIKQIOIOFCESBL-UHFFFAOYSA-N 1 1 415.921 4.044 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000514492326 922647354 /nfs/dbraw/zinc/64/73/54/922647354.db2.gz OIKQIOIOFCESBL-UHFFFAOYSA-N 1 1 415.921 4.044 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000514579801 922715967 /nfs/dbraw/zinc/71/59/67/922715967.db2.gz LEMZMYLCEITUPB-OAQYLSRUSA-N 1 1 424.545 4.152 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000514830884 922818764 /nfs/dbraw/zinc/81/87/64/922818764.db2.gz GTPHZCKCWHKEMJ-HXUWFJFHSA-N 1 1 409.578 4.148 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1cccs1 ZINC000514853001 922825097 /nfs/dbraw/zinc/82/50/97/922825097.db2.gz YQDNMLWIRUIWBK-UGKGYDQZSA-N 1 1 408.571 4.377 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1cccs1 ZINC000514853000 922825492 /nfs/dbraw/zinc/82/54/92/922825492.db2.gz YQDNMLWIRUIWBK-SIKLNZKXSA-N 1 1 408.571 4.377 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccc(C#N)cc1 ZINC000515134769 922943534 /nfs/dbraw/zinc/94/35/34/922943534.db2.gz DEYVHUQPFNKGLL-RUZDIDTESA-N 1 1 421.541 4.055 20 30 HIEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000515860699 923397980 /nfs/dbraw/zinc/39/79/80/923397980.db2.gz IJOZWVOOWYJPQB-UHFFFAOYSA-N 1 1 405.502 4.034 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202673 924050279 /nfs/dbraw/zinc/05/02/79/924050279.db2.gz RORIYYZWEMHTDP-ZJSXRUAMSA-N 1 1 416.481 4.113 20 30 HIEDMO C=CC[N@@H+](Cc1csc(Br)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529662 924247894 /nfs/dbraw/zinc/24/78/94/924247894.db2.gz IUMMBKWOVDGFHP-ZDUSSCGKSA-N 1 1 404.337 4.236 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529198 924248529 /nfs/dbraw/zinc/24/85/29/924248529.db2.gz OMTJBQJJWCOJBL-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529198 924248541 /nfs/dbraw/zinc/24/85/41/924248541.db2.gz OMTJBQJJWCOJBL-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518236929 927096683 /nfs/dbraw/zinc/09/66/83/927096683.db2.gz SYJSOISPPNOJHW-UHFFFAOYSA-N 1 1 418.324 4.025 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518838868 927538245 /nfs/dbraw/zinc/53/82/45/927538245.db2.gz VAWSGVFTHKHLKE-IBGZPJMESA-N 1 1 418.541 4.278 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518838868 927538251 /nfs/dbraw/zinc/53/82/51/927538251.db2.gz VAWSGVFTHKHLKE-IBGZPJMESA-N 1 1 418.541 4.278 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928059958 /nfs/dbraw/zinc/05/99/58/928059958.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 1 1 424.614 4.146 20 30 HIEDMO CC(C)C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000519987887 928213427 /nfs/dbraw/zinc/21/34/27/928213427.db2.gz VEMSBFPWBNSTLG-OAQYLSRUSA-N 1 1 422.529 4.219 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)CC1 ZINC000520696142 928742732 /nfs/dbraw/zinc/74/27/32/928742732.db2.gz YMFFCADEWVKWST-NRFANRHFSA-N 1 1 407.002 4.063 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(F)cc3F)sc2C1 ZINC000520778919 928812864 /nfs/dbraw/zinc/81/28/64/928812864.db2.gz ZOFWDTGBCZNFFB-CYBMUJFWSA-N 1 1 403.498 4.483 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1)C1CC1 ZINC000520992900 928910093 /nfs/dbraw/zinc/91/00/93/928910093.db2.gz VQBLPPZHGHNRDH-NRFANRHFSA-N 1 1 420.532 4.080 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521114110 929003388 /nfs/dbraw/zinc/00/33/88/929003388.db2.gz SWOMVRAYVKYYTR-HDICACEKSA-N 1 1 406.530 4.232 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000521210819 929062461 /nfs/dbraw/zinc/06/24/61/929062461.db2.gz HASLSHFPMWUNTK-FQEVSTJZSA-N 1 1 406.530 4.183 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521782150 929441698 /nfs/dbraw/zinc/44/16/98/929441698.db2.gz AKSYYVGREXVIOG-XMMPIXPASA-N 1 1 404.558 4.390 20 30 HIEDMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000521820976 929478109 /nfs/dbraw/zinc/47/81/09/929478109.db2.gz LSAWEGSGABVETJ-UHFFFAOYSA-N 1 1 403.551 4.289 20 30 HIEDMO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859599 929511600 /nfs/dbraw/zinc/51/16/00/929511600.db2.gz JONKUUAYTDFYDT-MRXNPFEDSA-N 1 1 411.468 4.057 20 30 HIEDMO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859599 929511611 /nfs/dbraw/zinc/51/16/11/929511611.db2.gz JONKUUAYTDFYDT-MRXNPFEDSA-N 1 1 411.468 4.057 20 30 HIEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525409575 930223435 /nfs/dbraw/zinc/22/34/35/930223435.db2.gz DOJMYTDVCYVSJH-HMXCVIKNSA-N 1 1 403.954 4.112 20 30 HIEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525409577 930223811 /nfs/dbraw/zinc/22/38/11/930223811.db2.gz DOJMYTDVCYVSJH-TYPHKJRUSA-N 1 1 403.954 4.112 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670021 930793527 /nfs/dbraw/zinc/79/35/27/930793527.db2.gz YTZRZXYXYJZFHB-DENIHFKCSA-N 1 1 415.459 4.319 20 30 HIEDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000531391219 931041935 /nfs/dbraw/zinc/04/19/35/931041935.db2.gz ZQYSUFSIOOSOAA-NZQKXSOJSA-N 1 1 407.558 4.378 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(OCCC(C)C)CC2)ccc1Cl ZINC000532097960 931310904 /nfs/dbraw/zinc/31/09/04/931310904.db2.gz JPILNWUVVHJTKB-UHFFFAOYSA-N 1 1 405.970 4.422 20 30 HIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000532351760 931404645 /nfs/dbraw/zinc/40/46/45/931404645.db2.gz QPFFNULCBGBBAK-GOSISDBHSA-N 1 1 409.559 4.076 20 30 HIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000532351760 931404652 /nfs/dbraw/zinc/40/46/52/931404652.db2.gz QPFFNULCBGBBAK-GOSISDBHSA-N 1 1 409.559 4.076 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000532489364 931458343 /nfs/dbraw/zinc/45/83/43/931458343.db2.gz GQBNBTUWKSZTRA-KRWDZBQOSA-N 1 1 408.521 4.365 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554331 931520535 /nfs/dbraw/zinc/52/05/35/931520535.db2.gz GTZBZTMGAWPOQW-FQEVSTJZSA-N 1 1 413.529 4.214 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000532554612 931521648 /nfs/dbraw/zinc/52/16/48/931521648.db2.gz WNNUPWVPWQCFQV-MRXNPFEDSA-N 1 1 411.571 4.399 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCCC(=O)OC(C)(C)C)c1C#N ZINC000532575027 931535345 /nfs/dbraw/zinc/53/53/45/931535345.db2.gz DCKGXDNQYARYGF-UHFFFAOYSA-N 1 1 416.566 4.084 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C)c1C#N ZINC000532575027 931535349 /nfs/dbraw/zinc/53/53/49/931535349.db2.gz DCKGXDNQYARYGF-UHFFFAOYSA-N 1 1 416.566 4.084 20 30 HIEDMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000532756927 931623083 /nfs/dbraw/zinc/62/30/83/931623083.db2.gz WIASQNGNPPLXKG-NRFANRHFSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000532756927 931623087 /nfs/dbraw/zinc/62/30/87/931623087.db2.gz WIASQNGNPPLXKG-NRFANRHFSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000532755395 931623119 /nfs/dbraw/zinc/62/31/19/931623119.db2.gz WTESSPAUNZYXBF-HXUWFJFHSA-N 1 1 423.557 4.396 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000532755395 931623126 /nfs/dbraw/zinc/62/31/26/931623126.db2.gz WTESSPAUNZYXBF-HXUWFJFHSA-N 1 1 423.557 4.396 20 30 HIEDMO CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532951113 931709022 /nfs/dbraw/zinc/70/90/22/931709022.db2.gz SYKAHFSDHPCQBB-SFHVURJKSA-N 1 1 402.608 4.072 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000533004603 931733029 /nfs/dbraw/zinc/73/30/29/931733029.db2.gz DDPKKSOVXDYLNO-SFHVURJKSA-N 1 1 418.463 4.134 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533286804 931828091 /nfs/dbraw/zinc/82/80/91/931828091.db2.gz DVMMTLUZBFJRIF-GOSISDBHSA-N 1 1 409.555 4.066 20 30 HIEDMO COc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)ccc1OCc1cccc(C#N)c1 ZINC000533394289 931856685 /nfs/dbraw/zinc/85/66/85/931856685.db2.gz CRJMUMAACUIWAF-UHFFFAOYSA-N 1 1 400.478 4.410 20 30 HIEDMO COc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccc1OCc1cccc(C#N)c1 ZINC000533394289 931856689 /nfs/dbraw/zinc/85/66/89/931856689.db2.gz CRJMUMAACUIWAF-UHFFFAOYSA-N 1 1 400.478 4.410 20 30 HIEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533423646 931863282 /nfs/dbraw/zinc/86/32/82/931863282.db2.gz GJHMMRXOPZEKLQ-GOSISDBHSA-N 1 1 417.509 4.367 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000533425762 931863968 /nfs/dbraw/zinc/86/39/68/931863968.db2.gz NHWMJGQLBRYSRC-ROUUACIJSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000533425762 931863969 /nfs/dbraw/zinc/86/39/69/931863969.db2.gz NHWMJGQLBRYSRC-ROUUACIJSA-N 1 1 409.555 4.375 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000533434993 931867800 /nfs/dbraw/zinc/86/78/00/931867800.db2.gz GPKQRYXAVXSQQH-LAUBAEHRSA-N 1 1 416.525 4.434 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018871 932201504 /nfs/dbraw/zinc/20/15/04/932201504.db2.gz IXKWDXZKXJEJDX-RPBOFIJWSA-N 1 1 411.505 4.312 20 30 HIEDMO N#CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000534647758 932620258 /nfs/dbraw/zinc/62/02/58/932620258.db2.gz WLLAZXUCOJPXGR-UHFFFAOYSA-N 1 1 401.432 4.120 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959160 932860212 /nfs/dbraw/zinc/86/02/12/932860212.db2.gz CYLJRBMQEBVBQF-UZLBHIALSA-N 1 1 400.885 4.474 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000562755195 945116177 /nfs/dbraw/zinc/11/61/77/945116177.db2.gz AOJDIKMAXQXCNL-SFHVURJKSA-N 1 1 408.575 4.169 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000537618321 938335493 /nfs/dbraw/zinc/33/54/93/938335493.db2.gz UCALLBYEXFKMSH-SJORKVTESA-N 1 1 409.368 4.081 20 30 HIEDMO CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628131 938339097 /nfs/dbraw/zinc/33/90/97/938339097.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 1 1 413.569 4.418 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000537628131 938339113 /nfs/dbraw/zinc/33/91/13/938339113.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 1 1 413.569 4.418 20 30 HIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000537628131 938339116 /nfs/dbraw/zinc/33/91/16/938339116.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 1 1 413.569 4.418 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1C#N ZINC000537842045 938387725 /nfs/dbraw/zinc/38/77/25/938387725.db2.gz VNNHFYOFCSGLRG-QGZVFWFLSA-N 1 1 408.546 4.459 20 30 HIEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1Cl ZINC000538212863 938558207 /nfs/dbraw/zinc/55/82/07/938558207.db2.gz ABARCKWPFMBTKB-ZDUSSCGKSA-N 1 1 414.296 4.340 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538521518 938640552 /nfs/dbraw/zinc/64/05/52/938640552.db2.gz BZPLFNYFPSLDSP-RTWAWAEBSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538521518 938640555 /nfs/dbraw/zinc/64/05/55/938640555.db2.gz BZPLFNYFPSLDSP-RTWAWAEBSA-N 1 1 414.912 4.374 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689031 /nfs/dbraw/zinc/68/90/31/938689031.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000538717011 938689034 /nfs/dbraw/zinc/68/90/34/938689034.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 1 1 411.384 4.327 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000538717011 938689037 /nfs/dbraw/zinc/68/90/37/938689037.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 1 1 411.384 4.327 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760685 938704366 /nfs/dbraw/zinc/70/43/66/938704366.db2.gz FETDWSDQMHXYHA-IBGZPJMESA-N 1 1 402.502 4.104 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1C ZINC000538782859 938709845 /nfs/dbraw/zinc/70/98/45/938709845.db2.gz JRMRXMIPMMVIGU-OAQYLSRUSA-N 1 1 415.541 4.064 20 30 HIEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539247775 938825289 /nfs/dbraw/zinc/82/52/89/938825289.db2.gz NFSGXXADSFZQHG-RYUDHWBXSA-N 1 1 405.470 4.388 20 30 HIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000539270192 938830964 /nfs/dbraw/zinc/83/09/64/938830964.db2.gz HWJQTUVTWNHLGW-HUUCEWRRSA-N 1 1 401.507 4.375 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(F)ccc3Br)CC2)cc1 ZINC000539494188 938868179 /nfs/dbraw/zinc/86/81/79/938868179.db2.gz AGSUIBVOXPFQKJ-UHFFFAOYSA-N 1 1 402.311 4.214 20 30 HIEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000540387934 939224241 /nfs/dbraw/zinc/22/42/41/939224241.db2.gz KIDVWQAVEKIZII-AWEZNQCLSA-N 1 1 419.884 4.094 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000540579015 939310214 /nfs/dbraw/zinc/31/02/14/939310214.db2.gz QNZDKXLTPUUFCN-GHTZIAJQSA-N 1 1 408.571 4.008 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000540579015 939310222 /nfs/dbraw/zinc/31/02/22/939310222.db2.gz QNZDKXLTPUUFCN-GHTZIAJQSA-N 1 1 408.571 4.008 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540588897 939312476 /nfs/dbraw/zinc/31/24/76/939312476.db2.gz HIVUYFCOFRVLHX-UHFFFAOYSA-N 1 1 423.369 4.467 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540741286 939355184 /nfs/dbraw/zinc/35/51/84/939355184.db2.gz HTHOAWJPZKALQY-DYESRHJHSA-N 1 1 411.908 4.457 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104111 939461586 /nfs/dbraw/zinc/46/15/86/939461586.db2.gz XFYWYCXYYDQSBL-HKUYNNGSSA-N 1 1 424.524 4.001 20 30 HIEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541106421 939462306 /nfs/dbraw/zinc/46/23/06/939462306.db2.gz FBBOITIQAPLJNR-ZWKOTPCHSA-N 1 1 401.514 4.427 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C2CC2)s1 ZINC000541603204 939566386 /nfs/dbraw/zinc/56/63/86/939566386.db2.gz PIVWFSYHJCBCCI-LJQANCHMSA-N 1 1 402.951 4.401 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700971 939608389 /nfs/dbraw/zinc/60/83/89/939608389.db2.gz BACRHHMWTZXVKQ-QUCCMNQESA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@H]1[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC12CCOCC2 ZINC000541717684 939613326 /nfs/dbraw/zinc/61/33/26/939613326.db2.gz DLGWGNIPUKPCIL-MRXNPFEDSA-N 1 1 401.576 4.108 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000542325534 939800613 /nfs/dbraw/zinc/80/06/13/939800613.db2.gz DRHYOQUOZIDJPP-IBGZPJMESA-N 1 1 406.530 4.048 20 30 HIEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCCOc1cccc(Br)c1 ZINC000542695794 939854956 /nfs/dbraw/zinc/85/49/56/939854956.db2.gz FBJFSHUXAGQYDQ-HNNXBMFYSA-N 1 1 419.319 4.165 20 30 HIEDMO N#CCC1CCN(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000542844324 939862474 /nfs/dbraw/zinc/86/24/74/939862474.db2.gz RGYZBNVPFFLTJC-UHFFFAOYSA-N 1 1 408.468 4.005 20 30 HIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880767 939865000 /nfs/dbraw/zinc/86/50/00/939865000.db2.gz HBPIYJUXZPKZTE-HUUCEWRRSA-N 1 1 409.555 4.453 20 30 HIEDMO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543012231 939895238 /nfs/dbraw/zinc/89/52/38/939895238.db2.gz VYDOTWARYRBZOK-HTAPYJJXSA-N 1 1 402.498 4.481 20 30 HIEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3cccc(Cl)c3C#N)CC2)cc1 ZINC000543032133 939899184 /nfs/dbraw/zinc/89/91/84/939899184.db2.gz QFNUFZPZTFFGLK-UHFFFAOYSA-N 1 1 413.974 4.347 20 30 HIEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543174293 939985470 /nfs/dbraw/zinc/98/54/70/939985470.db2.gz FRKKYUNIMOTVFY-DEOSSOPVSA-N 1 1 403.526 4.285 20 30 HIEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543174293 939985475 /nfs/dbraw/zinc/98/54/75/939985475.db2.gz FRKKYUNIMOTVFY-DEOSSOPVSA-N 1 1 403.526 4.285 20 30 HIEDMO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000543268189 940013903 /nfs/dbraw/zinc/01/39/03/940013903.db2.gz JCCUXXSBFOFRHD-GOSISDBHSA-N 1 1 421.545 4.439 20 30 HIEDMO C=CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000543397104 940051208 /nfs/dbraw/zinc/05/12/08/940051208.db2.gz YXMABDYWZMLENP-GOSISDBHSA-N 1 1 405.550 4.193 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125634 940332377 /nfs/dbraw/zinc/33/23/77/940332377.db2.gz NIVLEVWTTRNYFU-NIDLKEISSA-N 1 1 405.542 4.234 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000544143028 940336964 /nfs/dbraw/zinc/33/69/64/940336964.db2.gz VNLVZJOHNBBJFZ-NSHGMRRFSA-N 1 1 404.432 4.217 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000544143028 940336969 /nfs/dbraw/zinc/33/69/69/940336969.db2.gz VNLVZJOHNBBJFZ-NSHGMRRFSA-N 1 1 404.432 4.217 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000544548521 940476942 /nfs/dbraw/zinc/47/69/42/940476942.db2.gz BQRDZZDEOPGLGK-LJQANCHMSA-N 1 1 412.578 4.311 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)Oc4ccc(C#N)cc4)n3)cc2F)CC1 ZINC000545661652 940579452 /nfs/dbraw/zinc/57/94/52/940579452.db2.gz RVMCLSKSTPNWKK-INIZCTEOSA-N 1 1 421.476 4.029 20 30 HIEDMO N#Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000563987269 945336675 /nfs/dbraw/zinc/33/66/75/945336675.db2.gz YNGFVMSPASSONZ-DEOSSOPVSA-N 1 1 413.481 4.117 20 30 HIEDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000548402667 941099935 /nfs/dbraw/zinc/09/99/35/941099935.db2.gz FMIHZBCRRCUXRC-HZPDHXFCSA-N 1 1 411.456 4.417 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935746 941130800 /nfs/dbraw/zinc/13/08/00/941130800.db2.gz VPKYWMJWGGPABH-QFBILLFUSA-N 1 1 423.479 4.385 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935746 941130801 /nfs/dbraw/zinc/13/08/01/941130801.db2.gz VPKYWMJWGGPABH-QFBILLFUSA-N 1 1 423.479 4.385 20 30 HIEDMO CC(C)N1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000549118482 941161833 /nfs/dbraw/zinc/16/18/33/941161833.db2.gz SPAYYNIKFCOAJP-IFMALSPDSA-N 1 1 423.467 4.200 20 30 HIEDMO CC(C)N1CC[C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000549118484 941161892 /nfs/dbraw/zinc/16/18/92/941161892.db2.gz SPAYYNIKFCOAJP-RBBKRZOGSA-N 1 1 423.467 4.200 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549287181 941177081 /nfs/dbraw/zinc/17/70/81/941177081.db2.gz HNOPBGVIQNUDHE-NFBKMPQASA-N 1 1 421.589 4.195 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000549419873 941188073 /nfs/dbraw/zinc/18/80/73/941188073.db2.gz QDQBYCBDCVQRMW-UHFFFAOYSA-N 1 1 408.594 4.421 20 30 HIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000549763626 941206778 /nfs/dbraw/zinc/20/67/78/941206778.db2.gz JWNASCDGGSMHGV-UHFFFAOYSA-N 1 1 408.851 4.337 20 30 HIEDMO CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC000549806945 941207895 /nfs/dbraw/zinc/20/78/95/941207895.db2.gz BIWDATMUAFTJLI-OALUTQOASA-N 1 1 400.320 4.041 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)Cc1ccc(OC)cc1 ZINC000550702560 941355922 /nfs/dbraw/zinc/35/59/22/941355922.db2.gz UVKVEKVYINCDDP-DEOSSOPVSA-N 1 1 408.542 4.446 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)Cc1ccc(OC)cc1 ZINC000550702560 941355927 /nfs/dbraw/zinc/35/59/27/941355927.db2.gz UVKVEKVYINCDDP-DEOSSOPVSA-N 1 1 408.542 4.446 20 30 HIEDMO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263487 941438854 /nfs/dbraw/zinc/43/88/54/941438854.db2.gz RMMKJOHSXXCUKW-SIKLNZKXSA-N 1 1 407.533 4.277 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cscc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288912 941443913 /nfs/dbraw/zinc/44/39/13/941443913.db2.gz BWWOJHJYCGTZPB-RDTXWAMCSA-N 1 1 407.461 4.451 20 30 HIEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895132 941799634 /nfs/dbraw/zinc/79/96/34/941799634.db2.gz FANYNEMLIRHCGL-SFHVURJKSA-N 1 1 416.997 4.055 20 30 HIEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000553541262 941905103 /nfs/dbraw/zinc/90/51/03/941905103.db2.gz WOVMZNVRZDESTD-QHCPKHFHSA-N 1 1 421.516 4.122 20 30 HIEDMO Cc1ccsc1C[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000553660709 941937930 /nfs/dbraw/zinc/93/79/30/941937930.db2.gz VAJWLOJYQJTZHL-UHFFFAOYSA-N 1 1 410.543 4.448 20 30 HIEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769591 941962975 /nfs/dbraw/zinc/96/29/75/941962975.db2.gz IOLPQJFJDQUKHJ-GSHUGGBRSA-N 1 1 407.489 4.292 20 30 HIEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767864 941963392 /nfs/dbraw/zinc/96/33/92/941963392.db2.gz LLUZFIVUHWCBOF-XLNZFTOWSA-N 1 1 403.526 4.347 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000554930593 942323793 /nfs/dbraw/zinc/32/37/93/942323793.db2.gz MXKUYWXGZPZWGD-TZIWHRDSSA-N 1 1 402.546 4.188 20 30 HIEDMO CC(C)c1ccc(OC2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000555516183 942619781 /nfs/dbraw/zinc/61/97/81/942619781.db2.gz QAFWZHGIJRRRJI-XMMPIXPASA-N 1 1 403.526 4.330 20 30 HIEDMO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556341321 942845846 /nfs/dbraw/zinc/84/58/46/942845846.db2.gz NXCWWMQULNGNKM-HXUWFJFHSA-N 1 1 421.928 4.126 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000556889844 942953512 /nfs/dbraw/zinc/95/35/12/942953512.db2.gz GZMCZVNYDSZFGF-HXUWFJFHSA-N 1 1 407.533 4.346 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556954528 942978228 /nfs/dbraw/zinc/97/82/28/942978228.db2.gz BEKJQVINVXSMDD-AUUYWEPGSA-N 1 1 406.288 4.427 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000556957813 942979400 /nfs/dbraw/zinc/97/94/00/942979400.db2.gz FUCUZVBBBVJPER-IBGZPJMESA-N 1 1 408.502 4.021 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000556957813 942979403 /nfs/dbraw/zinc/97/94/03/942979403.db2.gz FUCUZVBBBVJPER-IBGZPJMESA-N 1 1 408.502 4.021 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000557607464 943229926 /nfs/dbraw/zinc/22/99/26/943229926.db2.gz LDERHBHVKROTMF-OYRHEFFESA-N 1 1 424.589 4.292 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000557607464 943229934 /nfs/dbraw/zinc/22/99/34/943229934.db2.gz LDERHBHVKROTMF-OYRHEFFESA-N 1 1 424.589 4.292 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1ccnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000559068399 943823437 /nfs/dbraw/zinc/82/34/37/943823437.db2.gz ROJNFXYSFRJKML-IBGZPJMESA-N 1 1 413.529 4.120 20 30 HIEDMO N#Cc1cccc(C2([NH2+]CC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)CC2)c1 ZINC000560176244 944187593 /nfs/dbraw/zinc/18/75/93/944187593.db2.gz YMHJLWABXRUYLA-LJQANCHMSA-N 1 1 416.506 4.169 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000560952401 944374907 /nfs/dbraw/zinc/37/49/07/944374907.db2.gz FLIFHHBMNKMDGT-IBGZPJMESA-N 1 1 414.509 4.088 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000560952401 944374917 /nfs/dbraw/zinc/37/49/17/944374917.db2.gz FLIFHHBMNKMDGT-IBGZPJMESA-N 1 1 414.509 4.088 20 30 HIEDMO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 ZINC000561244746 944526428 /nfs/dbraw/zinc/52/64/28/944526428.db2.gz FTMZSPPZUHPQMO-UHFFFAOYSA-N 1 1 411.505 4.192 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc2)ccn1 ZINC000562226761 945030656 /nfs/dbraw/zinc/03/06/56/945030656.db2.gz FRNWFPSJPHWQJO-QHCPKHFHSA-N 1 1 416.456 4.488 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc2)ccn1 ZINC000562226761 945030669 /nfs/dbraw/zinc/03/06/69/945030669.db2.gz FRNWFPSJPHWQJO-QHCPKHFHSA-N 1 1 416.456 4.488 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087314 946237919 /nfs/dbraw/zinc/23/79/19/946237919.db2.gz PRGWEEZOPXCZDR-NQIIRXRSSA-N 1 1 413.587 4.251 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000568331464 946512737 /nfs/dbraw/zinc/51/27/37/946512737.db2.gz ASKXJQDLMSHTTR-IBGZPJMESA-N 1 1 400.567 4.310 20 30 HIEDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568430641 946541126 /nfs/dbraw/zinc/54/11/26/946541126.db2.gz ZAIZEKKZMMXYOC-FQEVSTJZSA-N 1 1 416.997 4.151 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000569149191 946823815 /nfs/dbraw/zinc/82/38/15/946823815.db2.gz LGURNPVRCMBQPW-UHFFFAOYSA-N 1 1 405.420 4.054 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000569890777 947037042 /nfs/dbraw/zinc/03/70/42/947037042.db2.gz QCEQNDGRKIFGQG-LJQANCHMSA-N 1 1 405.546 4.289 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(F)(c3cccnc3)CC2)ccc1Cl ZINC000573704249 948275600 /nfs/dbraw/zinc/27/56/00/948275600.db2.gz TZMZRVQUCVZKFV-UHFFFAOYSA-N 1 1 414.912 4.251 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000574559481 948474608 /nfs/dbraw/zinc/47/46/08/948474608.db2.gz XPTGTNFKYNSRKE-LPHOPBHVSA-N 1 1 411.477 4.003 20 30 HIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627906 719062495 /nfs/dbraw/zinc/06/24/95/719062495.db2.gz RLKGZHATKIQSCT-LAUBAEHRSA-N 1 1 403.917 4.256 20 30 HIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626629 719071104 /nfs/dbraw/zinc/07/11/04/719071104.db2.gz OVIVXCRGUNDGSM-VQIMIIECSA-N 1 1 402.876 4.252 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164841123 720690691 /nfs/dbraw/zinc/69/06/91/720690691.db2.gz HTDNQQXICPJQIJ-QHCPKHFHSA-N 1 1 416.569 4.287 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1C#N)[C@@H]2C ZINC001164860422 721000329 /nfs/dbraw/zinc/00/03/29/721000329.db2.gz OAMZYIFQCAEECS-OAHLLOKOSA-N 1 1 408.937 4.378 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164786443 721440154 /nfs/dbraw/zinc/44/01/54/721440154.db2.gz VBKSQAJVUWZVON-GJZGRUSLSA-N 1 1 409.946 4.093 20 30 HIEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903122 721554874 /nfs/dbraw/zinc/55/48/74/721554874.db2.gz ARZMSLQVLCPVMZ-AZUAARDMSA-N 1 1 420.513 4.163 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000008261772 845502315 /nfs/dbraw/zinc/50/23/15/845502315.db2.gz QHLAWPXSTTWPPE-GOSISDBHSA-N 1 1 404.539 4.423 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000008261772 845502321 /nfs/dbraw/zinc/50/23/21/845502321.db2.gz QHLAWPXSTTWPPE-GOSISDBHSA-N 1 1 404.539 4.423 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(OCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000010988551 845738072 /nfs/dbraw/zinc/73/80/72/845738072.db2.gz YJPXSWYUSAIYQV-UHFFFAOYSA-N 1 1 411.933 4.268 20 30 HIEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406131 846439246 /nfs/dbraw/zinc/43/92/46/846439246.db2.gz QMSZXSXTWCMYEL-HXUWFJFHSA-N 1 1 404.558 4.217 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1 ZINC000023451425 846703633 /nfs/dbraw/zinc/70/36/33/846703633.db2.gz NDSDNTZMZYPYNF-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1 ZINC000023451425 846703645 /nfs/dbraw/zinc/70/36/45/846703645.db2.gz NDSDNTZMZYPYNF-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO C[NH+]1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000023991034 846769639 /nfs/dbraw/zinc/76/96/39/846769639.db2.gz RAYOLXJYJHOPCX-UHFFFAOYSA-N 1 1 420.435 4.177 20 30 HIEDMO C=CCOc1ccc(CNc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1Cl ZINC000436401703 861748467 /nfs/dbraw/zinc/74/84/67/861748467.db2.gz XEZTWBLREINZKO-UHFFFAOYSA-N 1 1 413.949 4.181 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299690 847120607 /nfs/dbraw/zinc/12/06/07/847120607.db2.gz IZWBOMWONLYXPO-KRWDZBQOSA-N 1 1 407.543 4.177 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299690 847120614 /nfs/dbraw/zinc/12/06/14/847120614.db2.gz IZWBOMWONLYXPO-KRWDZBQOSA-N 1 1 407.543 4.177 20 30 HIEDMO CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000026330584 847126705 /nfs/dbraw/zinc/12/67/05/847126705.db2.gz OAXZFFOFRZNRMS-VWLOTQADSA-N 1 1 401.485 4.377 20 30 HIEDMO CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000026330584 847126712 /nfs/dbraw/zinc/12/67/12/847126712.db2.gz OAXZFFOFRZNRMS-VWLOTQADSA-N 1 1 401.485 4.377 20 30 HIEDMO CN(C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)C1(C#N)CCCCC1 ZINC000026446503 847146412 /nfs/dbraw/zinc/14/64/12/847146412.db2.gz OFGCICASGREBME-UHFFFAOYSA-N 1 1 404.352 4.098 20 30 HIEDMO CN(C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)C1(C#N)CCCCC1 ZINC000026446503 847146427 /nfs/dbraw/zinc/14/64/27/847146427.db2.gz OFGCICASGREBME-UHFFFAOYSA-N 1 1 404.352 4.098 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 ZINC000029985364 847663929 /nfs/dbraw/zinc/66/39/29/847663929.db2.gz NKOHTIOJUYTSOI-UHFFFAOYSA-N 1 1 408.552 4.091 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 ZINC000029985364 847663934 /nfs/dbraw/zinc/66/39/34/847663934.db2.gz NKOHTIOJUYTSOI-UHFFFAOYSA-N 1 1 408.552 4.091 20 30 HIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000042741036 848350583 /nfs/dbraw/zinc/35/05/83/848350583.db2.gz ZNLRVJOTSYPVKT-SFHVURJKSA-N 1 1 406.530 4.062 20 30 HIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000042741036 848350586 /nfs/dbraw/zinc/35/05/86/848350586.db2.gz ZNLRVJOTSYPVKT-SFHVURJKSA-N 1 1 406.530 4.062 20 30 HIEDMO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000046243949 848810367 /nfs/dbraw/zinc/81/03/67/848810367.db2.gz XEOFTPXTXZMYDV-KRWDZBQOSA-N 1 1 401.535 4.463 20 30 HIEDMO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000046243949 848810372 /nfs/dbraw/zinc/81/03/72/848810372.db2.gz XEOFTPXTXZMYDV-KRWDZBQOSA-N 1 1 401.535 4.463 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934124 848962433 /nfs/dbraw/zinc/96/24/33/848962433.db2.gz LMCCMZFEQCMEPN-GOSISDBHSA-N 1 1 407.562 4.217 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1 ZINC000050555912 849394639 /nfs/dbraw/zinc/39/46/39/849394639.db2.gz DVPALWMXJFSOMV-UHFFFAOYSA-N 1 1 411.933 4.105 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000052801291 849628640 /nfs/dbraw/zinc/62/86/40/849628640.db2.gz CJGDZKXKDMTXBO-UHFFFAOYSA-N 1 1 417.340 4.406 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000053721215 849749506 /nfs/dbraw/zinc/74/95/06/849749506.db2.gz VDKLRAWEJOSEOZ-SFHVURJKSA-N 1 1 407.562 4.359 20 30 HIEDMO Cc1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc(C)c1OCC(F)(F)F ZINC000054396445 849860309 /nfs/dbraw/zinc/86/03/09/849860309.db2.gz SXWSWUBURYPXNU-UHFFFAOYSA-N 1 1 411.449 4.248 20 30 HIEDMO Cc1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc(C)c1OCC(F)(F)F ZINC000054396445 849860315 /nfs/dbraw/zinc/86/03/15/849860315.db2.gz SXWSWUBURYPXNU-UHFFFAOYSA-N 1 1 411.449 4.248 20 30 HIEDMO CCCCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056750546 850466957 /nfs/dbraw/zinc/46/69/57/850466957.db2.gz DQYJBDPWGFZQFP-UHFFFAOYSA-N 1 1 406.530 4.477 20 30 HIEDMO CCCCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056750546 850466962 /nfs/dbraw/zinc/46/69/62/850466962.db2.gz DQYJBDPWGFZQFP-UHFFFAOYSA-N 1 1 406.530 4.477 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000058559587 850855682 /nfs/dbraw/zinc/85/56/82/850855682.db2.gz TVURGOQCSCNBOW-OAHLLOKOSA-N 1 1 412.456 4.133 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469420 851109771 /nfs/dbraw/zinc/10/97/71/851109771.db2.gz PMXGSRLBHZAYRZ-MRXNPFEDSA-N 1 1 419.447 4.199 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000062896799 851599464 /nfs/dbraw/zinc/59/94/64/851599464.db2.gz NAAVIURFPLOQQK-RTBURBONSA-N 1 1 423.513 4.032 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000063297816 851654542 /nfs/dbraw/zinc/65/45/42/851654542.db2.gz HUIFWJYUUGSCDD-UHFFFAOYSA-N 1 1 424.526 4.424 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063404148 851679983 /nfs/dbraw/zinc/67/99/83/851679983.db2.gz FWXBKJFUEROPNZ-XMMPIXPASA-N 1 1 402.542 4.168 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350422 851878076 /nfs/dbraw/zinc/87/80/76/851878076.db2.gz FVPMKZZBVOJPAD-UHFFFAOYSA-N 1 1 408.502 4.369 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350422 851878078 /nfs/dbraw/zinc/87/80/78/851878078.db2.gz FVPMKZZBVOJPAD-UHFFFAOYSA-N 1 1 408.502 4.369 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065416525 852124879 /nfs/dbraw/zinc/12/48/79/852124879.db2.gz SYSDTJWAFFKTKI-OAQYLSRUSA-N 1 1 406.530 4.379 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 ZINC000065473164 852147232 /nfs/dbraw/zinc/14/72/32/852147232.db2.gz QHKYQFWMAZEDOP-UHFFFAOYSA-N 1 1 422.529 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(COCC4CC4)c3)CC2)cc1 ZINC000065473614 852148546 /nfs/dbraw/zinc/14/85/46/852148546.db2.gz ARVTZHOSLDLBCQ-UHFFFAOYSA-N 1 1 418.541 4.225 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000072003171 852458656 /nfs/dbraw/zinc/45/86/56/852458656.db2.gz AXTODJIBCWFJBG-UHFFFAOYSA-N 1 1 405.514 4.389 20 30 HIEDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)CCO1 ZINC000072013595 852465567 /nfs/dbraw/zinc/46/55/67/852465567.db2.gz ROEDPHQEQHURMQ-SFHVURJKSA-N 1 1 421.566 4.035 20 30 HIEDMO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000106319935 852769711 /nfs/dbraw/zinc/76/97/11/852769711.db2.gz KUAUKGUJTUSGIZ-OAQYLSRUSA-N 1 1 424.548 4.166 20 30 HIEDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591479 852862477 /nfs/dbraw/zinc/86/24/77/852862477.db2.gz MQENBMTUFYKLDO-XMMPIXPASA-N 1 1 405.542 4.005 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989253 853180994 /nfs/dbraw/zinc/18/09/94/853180994.db2.gz OPANPXWABKXKOV-INIZCTEOSA-N 1 1 424.570 4.176 20 30 HIEDMO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000116723737 853329128 /nfs/dbraw/zinc/32/91/28/853329128.db2.gz RAYXZTNMVVXXCR-HSZRJFAPSA-N 1 1 407.583 4.409 20 30 HIEDMO CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000116723737 853329133 /nfs/dbraw/zinc/32/91/33/853329133.db2.gz RAYXZTNMVVXXCR-HSZRJFAPSA-N 1 1 407.583 4.409 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000140116060 853434852 /nfs/dbraw/zinc/43/48/52/853434852.db2.gz ZDENTJLWEJPXKR-LEWJYISDSA-N 1 1 414.347 4.183 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000236692112 853912383 /nfs/dbraw/zinc/91/23/83/853912383.db2.gz QFHXOCAWMIPSPA-UHFFFAOYSA-N 1 1 401.558 4.124 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236985418 853947438 /nfs/dbraw/zinc/94/74/38/853947438.db2.gz DGQMIYMWSUXAIH-MOPGFXCFSA-N 1 1 410.537 4.109 20 30 HIEDMO Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237645597 854067717 /nfs/dbraw/zinc/06/77/17/854067717.db2.gz MDNIPPDHVZEQAS-XMMPIXPASA-N 1 1 404.535 4.458 20 30 HIEDMO FC(F)n1ccnc1C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000237678516 854073979 /nfs/dbraw/zinc/07/39/79/854073979.db2.gz IIIYGTFWLYPQIC-LBPRGKRZSA-N 1 1 403.273 4.440 20 30 HIEDMO N#CCCn1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237831310 854105587 /nfs/dbraw/zinc/10/55/87/854105587.db2.gz CVBHDHHVMYEUTL-HSZRJFAPSA-N 1 1 413.569 4.118 20 30 HIEDMO N#CCCn1cc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237831310 854105591 /nfs/dbraw/zinc/10/55/91/854105591.db2.gz CVBHDHHVMYEUTL-HSZRJFAPSA-N 1 1 413.569 4.118 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)cc1 ZINC000247655547 854158883 /nfs/dbraw/zinc/15/88/83/854158883.db2.gz PCOZKLTVIWPWIG-UHFFFAOYSA-N 1 1 405.517 4.244 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)cc1 ZINC000247655547 854158891 /nfs/dbraw/zinc/15/88/91/854158891.db2.gz PCOZKLTVIWPWIG-UHFFFAOYSA-N 1 1 405.517 4.244 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000249904747 854192745 /nfs/dbraw/zinc/19/27/45/854192745.db2.gz HBKOHOXFKHVYOW-VQIMIIECSA-N 1 1 417.962 4.058 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@H](C)O1 ZINC000301252115 854340337 /nfs/dbraw/zinc/34/03/37/854340337.db2.gz CKRPVRRDYSDDOD-GASCZTMLSA-N 1 1 404.436 4.193 20 30 HIEDMO N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000301678702 854442536 /nfs/dbraw/zinc/44/25/36/854442536.db2.gz RSQBSUMXAMDDLR-UHFFFAOYSA-N 1 1 415.291 4.305 20 30 HIEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301798644 854467867 /nfs/dbraw/zinc/46/78/67/854467867.db2.gz ROUGELISVLYTDU-UHFFFAOYSA-N 1 1 404.392 4.198 20 30 HIEDMO Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187814 854546170 /nfs/dbraw/zinc/54/61/70/854546170.db2.gz QDIWFMKCUIOVNH-UHFFFAOYSA-N 1 1 401.470 4.035 20 30 HIEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187814 854546177 /nfs/dbraw/zinc/54/61/77/854546177.db2.gz QDIWFMKCUIOVNH-UHFFFAOYSA-N 1 1 401.470 4.035 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813796 854643465 /nfs/dbraw/zinc/64/34/65/854643465.db2.gz PMGOODDFSPBHBB-NRFANRHFSA-N 1 1 415.493 4.346 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813796 854643475 /nfs/dbraw/zinc/64/34/75/854643475.db2.gz PMGOODDFSPBHBB-NRFANRHFSA-N 1 1 415.493 4.346 20 30 HIEDMO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000302902627 854673165 /nfs/dbraw/zinc/67/31/65/854673165.db2.gz XFEHQJJESMDZIS-ACCUITESSA-N 1 1 406.526 4.008 20 30 HIEDMO C[N@H+]1CCCC[C@@H]1CCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000302906507 854673858 /nfs/dbraw/zinc/67/38/58/854673858.db2.gz BDZURMMPQIDBBU-GOSISDBHSA-N 1 1 404.539 4.224 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000302980100 854707152 /nfs/dbraw/zinc/70/71/52/854707152.db2.gz UXMJEAFTUKGXLY-UHFFFAOYSA-N 1 1 409.530 4.008 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000302980100 854707157 /nfs/dbraw/zinc/70/71/57/854707157.db2.gz UXMJEAFTUKGXLY-UHFFFAOYSA-N 1 1 409.530 4.008 20 30 HIEDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000303466278 854965289 /nfs/dbraw/zinc/96/52/89/854965289.db2.gz PLTLCPNSQCTTAF-LJQANCHMSA-N 1 1 414.575 4.164 20 30 HIEDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000303466278 854965292 /nfs/dbraw/zinc/96/52/92/854965292.db2.gz PLTLCPNSQCTTAF-LJQANCHMSA-N 1 1 414.575 4.164 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)CC2CCOCC2)cc1Cl ZINC000303485461 854977192 /nfs/dbraw/zinc/97/71/92/854977192.db2.gz QWQWPTBBIAFQDN-UHFFFAOYSA-N 1 1 411.933 4.469 20 30 HIEDMO C=CCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000303534426 855020788 /nfs/dbraw/zinc/02/07/88/855020788.db2.gz XGSXRKKEPBJXGQ-NOTZXAQLSA-N 1 1 420.553 4.358 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](c2ccccc2)C1 ZINC000303583644 855056373 /nfs/dbraw/zinc/05/63/73/855056373.db2.gz FLXBBYGDGMXPCV-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](c2ccccc2)C1 ZINC000303583644 855056382 /nfs/dbraw/zinc/05/63/82/855056382.db2.gz FLXBBYGDGMXPCV-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000303593131 855066553 /nfs/dbraw/zinc/06/65/53/855066553.db2.gz IGNCPHUZUTUQHE-DVECYGJZSA-N 1 1 421.541 4.217 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000303667001 855118681 /nfs/dbraw/zinc/11/86/81/855118681.db2.gz WMSOWCSQNUMVKJ-FYYLOGMGSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303738164 855162976 /nfs/dbraw/zinc/16/29/76/855162976.db2.gz HJFBNTITYCSOSB-WMZHIEFXSA-N 1 1 407.583 4.303 20 30 HIEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000303745548 855168153 /nfs/dbraw/zinc/16/81/53/855168153.db2.gz JVOSOXWYVIGLLQ-LAUBAEHRSA-N 1 1 410.949 4.135 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426137845 856133202 /nfs/dbraw/zinc/13/32/02/856133202.db2.gz GMBDGOXRZDMZJA-HOTGVXAUSA-N 1 1 412.921 4.143 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000427013351 856595789 /nfs/dbraw/zinc/59/57/89/856595789.db2.gz BHJIIQCTFAMRDY-UHFFFAOYSA-N 1 1 406.349 4.112 20 30 HIEDMO Cc1sc(NC(=O)C[N@@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000427013351 856595792 /nfs/dbraw/zinc/59/57/92/856595792.db2.gz BHJIIQCTFAMRDY-UHFFFAOYSA-N 1 1 406.349 4.112 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437510021 862859629 /nfs/dbraw/zinc/85/96/29/862859629.db2.gz YFNLYEDTHKDDGT-FPOVZHCZSA-N 1 1 423.582 4.353 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437510021 862859638 /nfs/dbraw/zinc/85/96/38/862859638.db2.gz YFNLYEDTHKDDGT-FPOVZHCZSA-N 1 1 423.582 4.353 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)c2)cc1 ZINC000428552731 857262548 /nfs/dbraw/zinc/26/25/48/857262548.db2.gz VOVJYVRJXIUGRK-DEOSSOPVSA-N 1 1 412.493 4.121 20 30 HIEDMO N#CCCn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1-c1ccccc1 ZINC000428731538 857312766 /nfs/dbraw/zinc/31/27/66/857312766.db2.gz YLJXHAQSAWVYPL-QFIPXVFZSA-N 1 1 419.573 4.238 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428770574 857328538 /nfs/dbraw/zinc/32/85/38/857328538.db2.gz GGZOUBZQBHCMQW-HXUWFJFHSA-N 1 1 406.511 4.129 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428770574 857328541 /nfs/dbraw/zinc/32/85/41/857328541.db2.gz GGZOUBZQBHCMQW-HXUWFJFHSA-N 1 1 406.511 4.129 20 30 HIEDMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)nc(C)[nH+]1 ZINC000428887210 857391428 /nfs/dbraw/zinc/39/14/28/857391428.db2.gz LYVDSNCWNBHVIN-MRXNPFEDSA-N 1 1 424.574 4.278 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926922 857420908 /nfs/dbraw/zinc/42/09/08/857420908.db2.gz DCKWRWOQDFXVFW-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926922 857420912 /nfs/dbraw/zinc/42/09/12/857420912.db2.gz DCKWRWOQDFXVFW-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO COc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004143 857452580 /nfs/dbraw/zinc/45/25/80/857452580.db2.gz IVYAQLJJOZUKLS-QHCPKHFHSA-N 1 1 406.526 4.394 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3cccc(C)c3C2)c1C#N ZINC000429581006 857766363 /nfs/dbraw/zinc/76/63/63/857766363.db2.gz RUQRULNEXLEQIA-UHFFFAOYSA-N 1 1 416.525 4.313 20 30 HIEDMO N#CCCn1ncc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1-c1ccccc1 ZINC000429591049 857773982 /nfs/dbraw/zinc/77/39/82/857773982.db2.gz IVJSGLMRWWJOEK-UHFFFAOYSA-N 1 1 419.573 4.192 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780534 857882769 /nfs/dbraw/zinc/88/27/69/857882769.db2.gz ATRBQYGTXFYIJP-SFTDATJTSA-N 1 1 419.573 4.190 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000430742168 858283912 /nfs/dbraw/zinc/28/39/12/858283912.db2.gz OCJLQANLMLOZPB-APWZRJJASA-N 1 1 420.582 4.335 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)sc2c1CCC2 ZINC000430996167 858398099 /nfs/dbraw/zinc/39/80/99/858398099.db2.gz MCGZAFPWGGFPOY-CQSZACIVSA-N 1 1 413.568 4.236 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431700316 858749648 /nfs/dbraw/zinc/74/96/48/858749648.db2.gz VBNPCNWFSNHNMZ-DENIHFKCSA-N 1 1 422.529 4.346 20 30 HIEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)C1 ZINC000432855003 859389868 /nfs/dbraw/zinc/38/98/68/859389868.db2.gz UDBKUVSDOIPFDQ-HSZRJFAPSA-N 1 1 424.932 4.350 20 30 HIEDMO N#CCCC[C@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000433022448 859483252 /nfs/dbraw/zinc/48/32/52/859483252.db2.gz KNENLXJBXAQHIV-QHCPKHFHSA-N 1 1 422.598 4.199 20 30 HIEDMO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)co2)cc1 ZINC000433025661 859487203 /nfs/dbraw/zinc/48/72/03/859487203.db2.gz AGPFWOVZRJMRET-OAQYLSRUSA-N 1 1 409.511 4.270 20 30 HIEDMO C[C@H](NC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433328330 859645220 /nfs/dbraw/zinc/64/52/20/859645220.db2.gz RKFFVCONVWLARM-IBGZPJMESA-N 1 1 402.546 4.078 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433361289 859660384 /nfs/dbraw/zinc/66/03/84/859660384.db2.gz CGYDKQVIEORBLJ-WOIUINJBSA-N 1 1 413.924 4.361 20 30 HIEDMO COc1cc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)cc1Cl ZINC000434766790 860488044 /nfs/dbraw/zinc/48/80/44/860488044.db2.gz GTZAVTHKQHKEDM-UHFFFAOYSA-N 1 1 415.921 4.468 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(Br)c2)C(C)C)c(C#N)c1C ZINC000434827332 860509423 /nfs/dbraw/zinc/50/94/23/860509423.db2.gz JHIOULUKIVARPM-UHFFFAOYSA-N 1 1 404.308 4.380 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(Br)c2)C(C)C)c(C#N)c1C ZINC000434827332 860509432 /nfs/dbraw/zinc/50/94/32/860509432.db2.gz JHIOULUKIVARPM-UHFFFAOYSA-N 1 1 404.308 4.380 20 30 HIEDMO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435293235 860723200 /nfs/dbraw/zinc/72/32/00/860723200.db2.gz WNXQBFFAJBLAOV-GOSISDBHSA-N 1 1 421.451 4.041 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462278 860807098 /nfs/dbraw/zinc/80/70/98/860807098.db2.gz BRKJNIGIMFCYCE-BEFAXECRSA-N 1 1 405.420 4.291 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000435553278 860870394 /nfs/dbraw/zinc/87/03/94/860870394.db2.gz CTUZBDVVORIDLU-HXUWFJFHSA-N 1 1 406.530 4.331 20 30 HIEDMO N#CCCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000435614331 860918047 /nfs/dbraw/zinc/91/80/47/860918047.db2.gz FHHWMGPHZRPXGV-NRFANRHFSA-N 1 1 400.526 4.339 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437763693 863084565 /nfs/dbraw/zinc/08/45/65/863084565.db2.gz MNQGPQPXRZLYLR-RCOXNQKVSA-N 1 1 423.960 4.283 20 30 HIEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437763693 863084583 /nfs/dbraw/zinc/08/45/83/863084583.db2.gz MNQGPQPXRZLYLR-RCOXNQKVSA-N 1 1 423.960 4.283 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cc2)c1 ZINC000438058147 863429016 /nfs/dbraw/zinc/42/90/16/863429016.db2.gz CAPYMAYLSBGZGR-OAQYLSRUSA-N 1 1 420.513 4.069 20 30 HIEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445965 863871881 /nfs/dbraw/zinc/87/18/81/863871881.db2.gz DKROZNZHFHAUHC-JWQCQUIFSA-N 1 1 421.585 4.311 20 30 HIEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000438639229 864073702 /nfs/dbraw/zinc/07/37/02/864073702.db2.gz AQSLNXXQRAZQSM-CQSZACIVSA-N 1 1 402.420 4.145 20 30 HIEDMO N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000438641860 864077217 /nfs/dbraw/zinc/07/72/17/864077217.db2.gz ODQLEBNKLNIHPK-UHFFFAOYSA-N 1 1 402.420 4.317 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000438843787 864338672 /nfs/dbraw/zinc/33/86/72/864338672.db2.gz WQUCYCRRFRBNTL-JXALWOEJSA-N 1 1 420.557 4.140 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439321498 864757939 /nfs/dbraw/zinc/75/79/39/864757939.db2.gz CNHKELOTFFMTLJ-GCJKJVERSA-N 1 1 422.573 4.220 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439321498 864757952 /nfs/dbraw/zinc/75/79/52/864757952.db2.gz CNHKELOTFFMTLJ-GCJKJVERSA-N 1 1 422.573 4.220 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439321502 864758594 /nfs/dbraw/zinc/75/85/94/864758594.db2.gz CNHKELOTFFMTLJ-XMSQKQJNSA-N 1 1 422.573 4.220 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439321502 864758606 /nfs/dbraw/zinc/75/86/06/864758606.db2.gz CNHKELOTFFMTLJ-XMSQKQJNSA-N 1 1 422.573 4.220 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@H](C)O1 ZINC000439548155 864874903 /nfs/dbraw/zinc/87/49/03/864874903.db2.gz KLEDPRFDNBZCFM-HOTGVXAUSA-N 1 1 401.457 4.381 20 30 HIEDMO N#Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C(F)(F)F ZINC000467956037 881819692 /nfs/dbraw/zinc/81/96/92/881819692.db2.gz BDKPBSBQOKXVLA-HDICACEKSA-N 1 1 414.431 4.173 20 30 HIEDMO CCCc1c(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439664395 864994454 /nfs/dbraw/zinc/99/44/54/864994454.db2.gz OOZNGQGAPWYEPY-IBGZPJMESA-N 1 1 422.577 4.473 20 30 HIEDMO CCCc1c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669980 865000629 /nfs/dbraw/zinc/00/06/29/865000629.db2.gz GDOFYGHWPXWWEU-ROUUACIJSA-N 1 1 408.550 4.081 20 30 HIEDMO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684168 865019623 /nfs/dbraw/zinc/01/96/23/865019623.db2.gz KNWACPDMCUNJKO-PKOBYXMFSA-N 1 1 408.550 4.033 20 30 HIEDMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)c2ccc(F)cc2)cc1 ZINC000440419705 865719507 /nfs/dbraw/zinc/71/95/07/865719507.db2.gz WEUBTKWRGHAFPP-QFIPXVFZSA-N 1 1 407.445 4.234 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000440638883 865853228 /nfs/dbraw/zinc/85/32/28/865853228.db2.gz RBBWKDMGCZPSLZ-KUHUBIRLSA-N 1 1 411.347 4.322 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059491 866141749 /nfs/dbraw/zinc/14/17/49/866141749.db2.gz HBHAZUALLYKHSE-KGLIPLIRSA-N 1 1 414.497 4.072 20 30 HIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059491 866141766 /nfs/dbraw/zinc/14/17/66/866141766.db2.gz HBHAZUALLYKHSE-KGLIPLIRSA-N 1 1 414.497 4.072 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 ZINC000441102285 866199202 /nfs/dbraw/zinc/19/92/02/866199202.db2.gz HTEBOEBMQGPMAQ-AWEZNQCLSA-N 1 1 419.432 4.463 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)o2)cc1 ZINC000441102285 866199217 /nfs/dbraw/zinc/19/92/17/866199217.db2.gz HTEBOEBMQGPMAQ-AWEZNQCLSA-N 1 1 419.432 4.463 20 30 HIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000442907186 867733224 /nfs/dbraw/zinc/73/32/24/867733224.db2.gz XFJSRKQNVRXSAU-HRAATJIYSA-N 1 1 409.331 4.264 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010375 867791596 /nfs/dbraw/zinc/79/15/96/867791596.db2.gz DKVBFVYWGKIHCG-FUHWJXTLSA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000443658078 868260070 /nfs/dbraw/zinc/26/00/70/868260070.db2.gz OMRNPXHHHWHINN-UHFFFAOYSA-N 1 1 404.333 4.375 20 30 HIEDMO N#CCCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000443930193 868468896 /nfs/dbraw/zinc/46/88/96/868468896.db2.gz USBOBTOJRIVVJV-UHFFFAOYSA-N 1 1 400.526 4.293 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666763 868945347 /nfs/dbraw/zinc/94/53/47/868945347.db2.gz RZNGQJTVZRZJMJ-PXDATVDWSA-N 1 1 413.565 4.362 20 30 HIEDMO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)o1 ZINC000446833503 870749239 /nfs/dbraw/zinc/74/92/39/870749239.db2.gz SRWJRWAQOGIUHG-UHFFFAOYSA-N 1 1 420.431 4.041 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000447342517 871242618 /nfs/dbraw/zinc/24/26/18/871242618.db2.gz UNEXQSNPETYZKT-OYHNWAKOSA-N 1 1 417.525 4.374 20 30 HIEDMO C=CCC[C@@H](C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)c1ccccc1 ZINC000447701557 871644707 /nfs/dbraw/zinc/64/47/07/871644707.db2.gz SSDXLORZCXNNTK-LJQANCHMSA-N 1 1 405.502 4.035 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000447842766 871768092 /nfs/dbraw/zinc/76/80/92/871768092.db2.gz CUWZCCZXGDHRCC-UZLBHIALSA-N 1 1 400.567 4.046 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000447842766 871768115 /nfs/dbraw/zinc/76/81/15/871768115.db2.gz CUWZCCZXGDHRCC-UZLBHIALSA-N 1 1 400.567 4.046 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cc1 ZINC000447878819 871796967 /nfs/dbraw/zinc/79/69/67/871796967.db2.gz KWDHRSMADDPALD-RUZDIDTESA-N 1 1 410.521 4.194 20 30 HIEDMO C=CCCCNC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000448011843 871854283 /nfs/dbraw/zinc/85/42/83/871854283.db2.gz IKDATBOKQWKZDE-UHFFFAOYSA-N 1 1 409.530 4.350 20 30 HIEDMO C=CCCCNC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000448011843 871854286 /nfs/dbraw/zinc/85/42/86/871854286.db2.gz IKDATBOKQWKZDE-UHFFFAOYSA-N 1 1 409.530 4.350 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000448195515 872077837 /nfs/dbraw/zinc/07/78/37/872077837.db2.gz CWFJRTNWZPDVFR-RDGATRHJSA-N 1 1 415.537 4.226 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448201662 872091463 /nfs/dbraw/zinc/09/14/63/872091463.db2.gz HURSEIZEHSIFJQ-SQJMNOBHSA-N 1 1 415.537 4.226 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cc1 ZINC000448225642 872138670 /nfs/dbraw/zinc/13/86/70/872138670.db2.gz OGCMCOVIKGPIIS-RXVVDRJESA-N 1 1 421.570 4.086 20 30 HIEDMO CC[NH+](CC)[C@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000460113124 872580511 /nfs/dbraw/zinc/58/05/11/872580511.db2.gz YYVUTXDBGWUADM-IBGZPJMESA-N 1 1 400.404 4.470 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460364369 872994847 /nfs/dbraw/zinc/99/48/47/872994847.db2.gz LGDMTCHKTRTDIG-GAJHUEQPSA-N 1 1 413.525 4.382 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460364369 872994861 /nfs/dbraw/zinc/99/48/61/872994861.db2.gz LGDMTCHKTRTDIG-GAJHUEQPSA-N 1 1 413.525 4.382 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460374707 873012305 /nfs/dbraw/zinc/01/23/05/873012305.db2.gz MBKLGEQCSSZVMQ-DHLKQENFSA-N 1 1 421.589 4.198 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460541631 873240878 /nfs/dbraw/zinc/24/08/78/873240878.db2.gz AJJQOLHBHIPRSS-JOCHJYFZSA-N 1 1 402.546 4.017 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460769262 873615618 /nfs/dbraw/zinc/61/56/18/873615618.db2.gz HNZNZPUHSARGNT-WAGURGNTSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460924039 873827915 /nfs/dbraw/zinc/82/79/15/873827915.db2.gz FOGOGWPNYZDHHJ-CTNGQTDRSA-N 1 1 404.562 4.339 20 30 HIEDMO N#CCC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000460936911 873837672 /nfs/dbraw/zinc/83/76/72/873837672.db2.gz ZYUDUSOYSQDTPF-HJOGWXRNSA-N 1 1 402.542 4.195 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460961247 873857060 /nfs/dbraw/zinc/85/70/60/873857060.db2.gz SUDNNBWRCLMXSV-NQIIRXRSSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961177 873857455 /nfs/dbraw/zinc/85/74/55/873857455.db2.gz RZHAYXMLWIRHHO-UNMCSNQZSA-N 1 1 416.573 4.406 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1OCC ZINC000463025818 876044693 /nfs/dbraw/zinc/04/46/93/876044693.db2.gz SHHWACBEEWDYOK-MRXNPFEDSA-N 1 1 406.324 4.056 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1OCC ZINC000463025818 876044713 /nfs/dbraw/zinc/04/47/13/876044713.db2.gz SHHWACBEEWDYOK-MRXNPFEDSA-N 1 1 406.324 4.056 20 30 HIEDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000463056875 876084873 /nfs/dbraw/zinc/08/48/73/876084873.db2.gz GSJNNRLZVRJZJN-XMMPIXPASA-N 1 1 420.534 4.013 20 30 HIEDMO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451317 876511393 /nfs/dbraw/zinc/51/13/93/876511393.db2.gz GFJVEXFZDOJHKE-SJORKVTESA-N 1 1 420.397 4.226 20 30 HIEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451317 876511401 /nfs/dbraw/zinc/51/14/01/876511401.db2.gz GFJVEXFZDOJHKE-SJORKVTESA-N 1 1 420.397 4.226 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@H+]1Cc1ccccc1 ZINC000469018159 883086453 /nfs/dbraw/zinc/08/64/53/883086453.db2.gz OAXGOLKZQCWNAJ-GHTZIAJQSA-N 1 1 414.509 4.244 20 30 HIEDMO N#CC1(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000464285158 877473629 /nfs/dbraw/zinc/47/36/29/877473629.db2.gz MLQMHUYAESBNRE-UHFFFAOYSA-N 1 1 423.385 4.272 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000464839125 878102757 /nfs/dbraw/zinc/10/27/57/878102757.db2.gz OZJVSRHIKLNEGC-JOCHJYFZSA-N 1 1 418.585 4.147 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464839338 878105499 /nfs/dbraw/zinc/10/54/99/878105499.db2.gz XTZDPTRLYGACAQ-DEOSSOPVSA-N 1 1 418.585 4.004 20 30 HIEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000464850461 878128264 /nfs/dbraw/zinc/12/82/64/878128264.db2.gz DWWUBQOYDUOPCZ-OAHLLOKOSA-N 1 1 402.564 4.020 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)cc1 ZINC000465050117 878414862 /nfs/dbraw/zinc/41/48/62/878414862.db2.gz HUFIIKYBDBQPRO-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)cc1 ZINC000465050117 878414871 /nfs/dbraw/zinc/41/48/71/878414871.db2.gz HUFIIKYBDBQPRO-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437105 912446482 /nfs/dbraw/zinc/44/64/82/912446482.db2.gz WWYMYJYRQIKIKZ-OALUTQOASA-N 1 1 412.603 4.064 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438209 912450513 /nfs/dbraw/zinc/45/05/13/912450513.db2.gz SUUBWXFICIIYEW-VQIMIIECSA-N 1 1 417.962 4.058 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000465803620 879414814 /nfs/dbraw/zinc/41/48/14/879414814.db2.gz BQHWDMGCSQLMDF-PMOQBDJRSA-N 1 1 422.598 4.441 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1OC ZINC000467020392 880822011 /nfs/dbraw/zinc/82/20/11/880822011.db2.gz BBZYWVDCWAVKKZ-UHFFFAOYSA-N 1 1 419.319 4.336 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1Cc1ccccc1 ZINC000467043887 880838881 /nfs/dbraw/zinc/83/88/81/880838881.db2.gz HFAQZTSHCNSGIY-NQIIRXRSSA-N 1 1 415.493 4.123 20 30 HIEDMO Cc1oc2ccccc2c1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467265518 881004283 /nfs/dbraw/zinc/00/42/83/881004283.db2.gz IATMXXDVKPIZNT-UHFFFAOYSA-N 1 1 402.498 4.030 20 30 HIEDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467266188 881005350 /nfs/dbraw/zinc/00/53/50/881005350.db2.gz OBCMJEINFLZLHV-JOCHJYFZSA-N 1 1 422.573 4.102 20 30 HIEDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281125 881026557 /nfs/dbraw/zinc/02/65/57/881026557.db2.gz UERBTQLTCZSPIM-IRXDYDNUSA-N 1 1 403.592 4.354 20 30 HIEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298352 881043807 /nfs/dbraw/zinc/04/38/07/881043807.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C=CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298352 881043826 /nfs/dbraw/zinc/04/38/26/881043826.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298352 881043843 /nfs/dbraw/zinc/04/38/43/881043843.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)C1 ZINC000469147848 883245657 /nfs/dbraw/zinc/24/56/57/883245657.db2.gz URPDTNCMRJPDEX-KRWDZBQOSA-N 1 1 416.481 4.186 20 30 HIEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@H](C)O1 ZINC000469163988 883260943 /nfs/dbraw/zinc/26/09/43/883260943.db2.gz VTQCVWXNRCXFNU-IRXDYDNUSA-N 1 1 416.481 4.075 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469298297 883396154 /nfs/dbraw/zinc/39/61/54/883396154.db2.gz KBIYQDKPWXUPQT-AZUAARDMSA-N 1 1 409.555 4.168 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469298297 883396173 /nfs/dbraw/zinc/39/61/73/883396173.db2.gz KBIYQDKPWXUPQT-AZUAARDMSA-N 1 1 409.555 4.168 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469739647 883896102 /nfs/dbraw/zinc/89/61/02/883896102.db2.gz NEJQDVXJGGAOOL-OAHLLOKOSA-N 1 1 416.319 4.055 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000469990836 884206296 /nfs/dbraw/zinc/20/62/96/884206296.db2.gz LUPIOPYDHCRJOY-KXTRFFEISA-N 1 1 417.553 4.419 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025340 884244890 /nfs/dbraw/zinc/24/48/90/884244890.db2.gz VPEDRKYBXVMEAK-INIZCTEOSA-N 1 1 404.297 4.347 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000470216642 884543902 /nfs/dbraw/zinc/54/39/02/884543902.db2.gz UOZYSSGXRSUVPJ-GOSISDBHSA-N 1 1 407.489 4.294 20 30 HIEDMO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000470910380 885418753 /nfs/dbraw/zinc/41/87/53/885418753.db2.gz HJGFXWFFHXBTJZ-JOCHJYFZSA-N 1 1 408.542 4.446 20 30 HIEDMO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000470910380 885418755 /nfs/dbraw/zinc/41/87/55/885418755.db2.gz HJGFXWFFHXBTJZ-JOCHJYFZSA-N 1 1 408.542 4.446 20 30 HIEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000470996621 885496948 /nfs/dbraw/zinc/49/69/48/885496948.db2.gz SEGFVQNHKWAPAF-HXUWFJFHSA-N 1 1 417.340 4.204 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169505 885725888 /nfs/dbraw/zinc/72/58/88/885725888.db2.gz OXOIMOQFBILCHW-FPOVZHCZSA-N 1 1 422.598 4.478 20 30 HIEDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000471289081 885874049 /nfs/dbraw/zinc/87/40/49/885874049.db2.gz UYPQYPDYLOVVCQ-HSZRJFAPSA-N 1 1 410.521 4.125 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cc1OC ZINC000504120148 913026792 /nfs/dbraw/zinc/02/67/92/913026792.db2.gz OULPKDRVHPCYJC-SFHVURJKSA-N 1 1 411.384 4.233 20 30 HIEDMO C[N@@H+](Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471795520 886530229 /nfs/dbraw/zinc/53/02/29/886530229.db2.gz ZXGZCJCEWBLOEJ-DEOSSOPVSA-N 1 1 414.553 4.321 20 30 HIEDMO CC(C)(C#N)CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000472431156 887280022 /nfs/dbraw/zinc/28/00/22/887280022.db2.gz LLWYVYCJKLCCBQ-QHCPKHFHSA-N 1 1 407.533 4.241 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000472571796 887458086 /nfs/dbraw/zinc/45/80/86/887458086.db2.gz SAWBVSYJGMRYSJ-LSDHHAIUSA-N 1 1 407.440 4.126 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473027467 887851794 /nfs/dbraw/zinc/85/17/94/887851794.db2.gz ZHSRZHKQWPGBDF-HXUWFJFHSA-N 1 1 420.557 4.022 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473507681 888236653 /nfs/dbraw/zinc/23/66/53/888236653.db2.gz OJJONLMLJHAABX-RUZDIDTESA-N 1 1 419.594 4.306 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473989384 888849973 /nfs/dbraw/zinc/84/99/73/888849973.db2.gz ZWVZKXZWOOQWQW-IBGZPJMESA-N 1 1 419.529 4.006 20 30 HIEDMO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000474332156 889205219 /nfs/dbraw/zinc/20/52/19/889205219.db2.gz PKQGGEDKDSMMDN-UHFFFAOYSA-N 1 1 413.319 4.107 20 30 HIEDMO CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474627312 889489543 /nfs/dbraw/zinc/48/95/43/889489543.db2.gz DIQRPQNVXWFSIC-VWLOTQADSA-N 1 1 410.521 4.220 20 30 HIEDMO N#CCCn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276654 /nfs/dbraw/zinc/27/66/54/890276654.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 1 1 411.553 4.028 20 30 HIEDMO N#CCCn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276747 /nfs/dbraw/zinc/27/67/47/890276747.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 1 1 411.553 4.028 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276763 /nfs/dbraw/zinc/27/67/63/890276763.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 1 1 411.553 4.028 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000475572504 890502883 /nfs/dbraw/zinc/50/28/83/890502883.db2.gz PDGAWWUKIVBCBB-HXUWFJFHSA-N 1 1 421.589 4.266 20 30 HIEDMO COc1ccc2nc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)sc2c1 ZINC000475716607 890655243 /nfs/dbraw/zinc/65/52/43/890655243.db2.gz QKPZWFLKHDIIHE-UHFFFAOYSA-N 1 1 406.511 4.027 20 30 HIEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475742754 890685563 /nfs/dbraw/zinc/68/55/63/890685563.db2.gz SRTSZZOKNYIWDL-GOSISDBHSA-N 1 1 411.571 4.017 20 30 HIEDMO CCCN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476043768 890974564 /nfs/dbraw/zinc/97/45/64/890974564.db2.gz SJAXBJRQHJQNMQ-QFIPXVFZSA-N 1 1 419.573 4.388 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000476266446 891187720 /nfs/dbraw/zinc/18/77/20/891187720.db2.gz WYFXJYWDCHOJIC-QFIPXVFZSA-N 1 1 421.541 4.048 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 ZINC000476832664 891812982 /nfs/dbraw/zinc/81/29/82/891812982.db2.gz RZANLMZCQFPJLJ-HTAPYJJXSA-N 1 1 424.520 4.470 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948235 891885586 /nfs/dbraw/zinc/88/55/86/891885586.db2.gz CDIXHVJTSLCZKO-AUSIDOKSSA-N 1 1 413.512 4.446 20 30 HIEDMO C=C(C)[C@@H](NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477071627 892004037 /nfs/dbraw/zinc/00/40/37/892004037.db2.gz VCSRDWWZCKSJFE-OAQYLSRUSA-N 1 1 400.473 4.254 20 30 HIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000478035528 893164997 /nfs/dbraw/zinc/16/49/97/893164997.db2.gz PBZXSAXTTWGEMC-MRXNPFEDSA-N 1 1 414.600 4.465 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478055531 893209014 /nfs/dbraw/zinc/20/90/14/893209014.db2.gz RPJQAXHLHPBCFI-YADHBBJMSA-N 1 1 410.606 4.298 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478055531 893209040 /nfs/dbraw/zinc/20/90/40/893209040.db2.gz RPJQAXHLHPBCFI-YADHBBJMSA-N 1 1 410.606 4.298 20 30 HIEDMO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000505050760 913790817 /nfs/dbraw/zinc/79/08/17/913790817.db2.gz FTDMRTZYRNBLJU-UHFFFAOYSA-N 1 1 409.530 4.002 20 30 HIEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000505050760 913790837 /nfs/dbraw/zinc/79/08/37/913790837.db2.gz FTDMRTZYRNBLJU-UHFFFAOYSA-N 1 1 409.530 4.002 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000479110069 894377448 /nfs/dbraw/zinc/37/74/48/894377448.db2.gz ZRGUMFUYGNDVIV-DUZVJDNUSA-N 1 1 424.589 4.071 20 30 HIEDMO N#CC1(NC(=O)c2ccc(-c3ccccc3F)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000479213241 894478198 /nfs/dbraw/zinc/47/81/98/894478198.db2.gz INEVAOJIHBJKNN-UHFFFAOYSA-N 1 1 403.457 4.374 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000481123311 896449597 /nfs/dbraw/zinc/44/95/97/896449597.db2.gz XFNZRJJMZTVBAT-HSZRJFAPSA-N 1 1 409.578 4.216 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183952 896531016 /nfs/dbraw/zinc/53/10/16/896531016.db2.gz SRUSBLZIEGABDT-CTNGQTDRSA-N 1 1 409.599 4.403 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481515783 896882763 /nfs/dbraw/zinc/88/27/63/896882763.db2.gz LFQRJELUWPJKLW-SFHVURJKSA-N 1 1 417.488 4.091 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481515783 896882767 /nfs/dbraw/zinc/88/27/67/896882767.db2.gz LFQRJELUWPJKLW-SFHVURJKSA-N 1 1 417.488 4.091 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(COC(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481590489 896969847 /nfs/dbraw/zinc/96/98/47/896969847.db2.gz FOMZLRLFJLMLGY-HSZRJFAPSA-N 1 1 402.485 4.413 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000481595410 896974809 /nfs/dbraw/zinc/97/48/09/896974809.db2.gz HIAMNMWNSWXAOU-IVZQSRNASA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(F)c(F)c1 ZINC000481599153 896978409 /nfs/dbraw/zinc/97/84/09/896978409.db2.gz OZPWSXHLAQSLQY-LHSJRXKWSA-N 1 1 402.441 4.360 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)c1 ZINC000481620068 897003286 /nfs/dbraw/zinc/00/32/86/897003286.db2.gz CIHLHJBVRCWVRY-PMACEKPBSA-N 1 1 408.477 4.025 20 30 HIEDMO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482134568 897592691 /nfs/dbraw/zinc/59/26/91/897592691.db2.gz GKCMKTORVLYJJF-OAQYLSRUSA-N 1 1 411.933 4.104 20 30 HIEDMO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482134568 897592699 /nfs/dbraw/zinc/59/26/99/897592699.db2.gz GKCMKTORVLYJJF-OAQYLSRUSA-N 1 1 411.933 4.104 20 30 HIEDMO C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482697202 898295890 /nfs/dbraw/zinc/29/58/90/898295890.db2.gz JNYMUHVKDHHIKB-QGZVFWFLSA-N 1 1 421.545 4.485 20 30 HIEDMO C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482697202 898295906 /nfs/dbraw/zinc/29/59/06/898295906.db2.gz JNYMUHVKDHHIKB-QGZVFWFLSA-N 1 1 421.545 4.485 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000482989955 898632045 /nfs/dbraw/zinc/63/20/45/898632045.db2.gz VQQKPBDAFODKMQ-GBXCKJPGSA-N 1 1 418.541 4.280 20 30 HIEDMO OC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)cc1C(F)(F)F ZINC000483231015 898874677 /nfs/dbraw/zinc/87/46/77/898874677.db2.gz MYDXUGIQRHIJJG-KRWDZBQOSA-N 1 1 416.212 4.282 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@@H]21 ZINC000483369709 899006556 /nfs/dbraw/zinc/00/65/56/899006556.db2.gz SXPFNEBJHPOZBZ-UGKGYDQZSA-N 1 1 422.504 4.224 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)cc1 ZINC000483428320 899057357 /nfs/dbraw/zinc/05/73/57/899057357.db2.gz VJXFVLGISXQGIE-UHFFFAOYSA-N 1 1 414.431 4.426 20 30 HIEDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660343 899320906 /nfs/dbraw/zinc/32/09/06/899320906.db2.gz MFCPBFAUNGBMCO-QGZVFWFLSA-N 1 1 419.504 4.371 20 30 HIEDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1-c1ncco1 ZINC000483758913 899422237 /nfs/dbraw/zinc/42/22/37/899422237.db2.gz JOSPMSMFGIILCX-UHFFFAOYSA-N 1 1 415.497 4.262 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349981 899899084 /nfs/dbraw/zinc/89/90/84/899899084.db2.gz KUWFACFIQHGUPB-QFBILLFUSA-N 1 1 401.469 4.074 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484352157 899900490 /nfs/dbraw/zinc/90/04/90/899900490.db2.gz KWIATLDSARQDOB-QAPCUYQASA-N 1 1 411.468 4.241 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484352157 899900494 /nfs/dbraw/zinc/90/04/94/899900494.db2.gz KWIATLDSARQDOB-QAPCUYQASA-N 1 1 411.468 4.241 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000484719471 900150803 /nfs/dbraw/zinc/15/08/03/900150803.db2.gz NKKWSNUJWMLORB-NZQKXSOJSA-N 1 1 409.578 4.387 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000484991736 900345458 /nfs/dbraw/zinc/34/54/58/900345458.db2.gz BVIQUKBYCPWEEA-VGOFRKELSA-N 1 1 419.529 4.147 20 30 HIEDMO CCCCn1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000485141964 900441726 /nfs/dbraw/zinc/44/17/26/900441726.db2.gz FAHMFLSUNDTKEK-UHFFFAOYSA-N 1 1 422.577 4.418 20 30 HIEDMO CCCCn1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000485141964 900441732 /nfs/dbraw/zinc/44/17/32/900441732.db2.gz FAHMFLSUNDTKEK-UHFFFAOYSA-N 1 1 422.577 4.418 20 30 HIEDMO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485144986 900446215 /nfs/dbraw/zinc/44/62/15/900446215.db2.gz JSHIYOXCEGKLOA-KNQAVFIVSA-N 1 1 422.598 4.001 20 30 HIEDMO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162928 900461717 /nfs/dbraw/zinc/46/17/17/900461717.db2.gz SQADNZDRFUNOJM-WMZOPIPTSA-N 1 1 401.470 4.337 20 30 HIEDMO O=C(C[NH+]1CCC(c2ccsc2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000485975861 901193280 /nfs/dbraw/zinc/19/32/80/901193280.db2.gz HOUCXIHOANKXCB-UHFFFAOYSA-N 1 1 406.473 4.114 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000485985245 901203306 /nfs/dbraw/zinc/20/33/06/901203306.db2.gz WPQJMVADRZPTGP-UHFFFAOYSA-N 1 1 416.481 4.168 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC2)cc1 ZINC000486436074 901594608 /nfs/dbraw/zinc/59/46/08/901594608.db2.gz SGWMDTZVPJMUGS-UHFFFAOYSA-N 1 1 405.408 4.006 20 30 HIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486846700 901892551 /nfs/dbraw/zinc/89/25/51/901892551.db2.gz ZPPGARBZYONFFJ-CJFMBICVSA-N 1 1 413.525 4.486 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000505930944 914583005 /nfs/dbraw/zinc/58/30/05/914583005.db2.gz USZKKKRPZZDFJW-MOPGFXCFSA-N 1 1 400.563 4.159 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000487400654 902184716 /nfs/dbraw/zinc/18/47/16/902184716.db2.gz DVPRRVCRSXCDNH-QFBILLFUSA-N 1 1 420.582 4.193 20 30 HIEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490088067 903765461 /nfs/dbraw/zinc/76/54/61/903765461.db2.gz KWTXWZZBRKMAGW-HXUWFJFHSA-N 1 1 407.905 4.264 20 30 HIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000490435986 904009744 /nfs/dbraw/zinc/00/97/44/904009744.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 1 1 413.569 4.303 20 30 HIEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000490435986 904009761 /nfs/dbraw/zinc/00/97/61/904009761.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 1 1 413.569 4.303 20 30 HIEDMO CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490435986 904009777 /nfs/dbraw/zinc/00/97/77/904009777.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 1 1 413.569 4.303 20 30 HIEDMO CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490435986 904009791 /nfs/dbraw/zinc/00/97/91/904009791.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 1 1 413.569 4.303 20 30 HIEDMO Cn1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570247 904108090 /nfs/dbraw/zinc/10/80/90/904108090.db2.gz PVCIRUAOKKTWLD-DEOSSOPVSA-N 1 1 400.526 4.182 20 30 HIEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1Cl ZINC000490624661 904144402 /nfs/dbraw/zinc/14/44/02/904144402.db2.gz VJAPWWLNVKZHLY-IBGZPJMESA-N 1 1 414.962 4.166 20 30 HIEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227275 904490365 /nfs/dbraw/zinc/49/03/65/904490365.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227275 904490370 /nfs/dbraw/zinc/49/03/70/904490370.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227275 904490383 /nfs/dbraw/zinc/49/03/83/904490383.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 1 1 413.569 4.444 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000491247925 904500792 /nfs/dbraw/zinc/50/07/92/904500792.db2.gz HBAOKBWXMVKJQE-OAQYLSRUSA-N 1 1 400.526 4.422 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3csc4ccccc34)CC2)cc1 ZINC000506199321 914842112 /nfs/dbraw/zinc/84/21/12/914842112.db2.gz HIDDQWLYPGTFJR-UHFFFAOYSA-N 1 1 418.566 4.233 20 30 HIEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1SC ZINC000492352223 904837940 /nfs/dbraw/zinc/83/79/40/904837940.db2.gz OUFALSDBIFWRTE-UHFFFAOYSA-N 1 1 415.584 4.300 20 30 HIEDMO C[C@H](c1cccc(NCc2cc(C#N)ccc2Br)c1)[NH+]1CCOCC1 ZINC000492359545 904838747 /nfs/dbraw/zinc/83/87/47/904838747.db2.gz XRZUXSJCETULAI-OAHLLOKOSA-N 1 1 400.320 4.326 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c1C#N ZINC000492449998 904852059 /nfs/dbraw/zinc/85/20/59/904852059.db2.gz XLTLSVPKRDCNNH-UHFFFAOYSA-N 1 1 424.932 4.384 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c1C#N ZINC000492449998 904852066 /nfs/dbraw/zinc/85/20/66/904852066.db2.gz XLTLSVPKRDCNNH-UHFFFAOYSA-N 1 1 424.932 4.384 20 30 HIEDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C#N)ccc3Br)ccc2NC1=O ZINC000492609709 904876824 /nfs/dbraw/zinc/87/68/24/904876824.db2.gz VLVXBLMEURMIRR-KPZWWZAWSA-N 1 1 414.303 4.281 20 30 HIEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000492693628 904889234 /nfs/dbraw/zinc/88/92/34/904889234.db2.gz XXAJBGPELCLZJM-IBGZPJMESA-N 1 1 405.542 4.406 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000492696904 904890153 /nfs/dbraw/zinc/89/01/53/904890153.db2.gz PMTNCQRPCDYTRE-UHFFFAOYSA-N 1 1 423.314 4.043 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731563 904896184 /nfs/dbraw/zinc/89/61/84/904896184.db2.gz WVENMIZLMDYGHE-DYESRHJHSA-N 1 1 418.472 4.214 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512393009 921128477 /nfs/dbraw/zinc/12/84/77/921128477.db2.gz NBUFMPRBMUBJFL-DENIHFKCSA-N 1 1 402.542 4.147 20 30 HIEDMO C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494069310 905406661 /nfs/dbraw/zinc/40/66/61/905406661.db2.gz ODYHUHNDMAIUMH-WZONZLPQSA-N 1 1 412.493 4.138 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445207 921166452 /nfs/dbraw/zinc/16/64/52/921166452.db2.gz XPVBNZBXVFHJSW-LJQANCHMSA-N 1 1 423.557 4.471 20 30 HIEDMO CSCC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000494813047 906012284 /nfs/dbraw/zinc/01/22/84/906012284.db2.gz UGVARKCSWWVLOY-KRWDZBQOSA-N 1 1 420.460 4.063 20 30 HIEDMO Cc1cccc(-c2cncc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)c1 ZINC000494923669 906097221 /nfs/dbraw/zinc/09/72/21/906097221.db2.gz QZJSETDLQLBTLP-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO Cc1cccc(-c2cncc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2)c1 ZINC000494923669 906097231 /nfs/dbraw/zinc/09/72/31/906097231.db2.gz QZJSETDLQLBTLP-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495051484 906204874 /nfs/dbraw/zinc/20/48/74/906204874.db2.gz VXWBKMDVEXZPDW-RTBURBONSA-N 1 1 412.578 4.011 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C2CC2)n1 ZINC000495484395 906479704 /nfs/dbraw/zinc/47/97/04/906479704.db2.gz IRHLWFXZAHRFLP-NRFANRHFSA-N 1 1 419.554 4.410 20 30 HIEDMO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000497594039 907073779 /nfs/dbraw/zinc/07/37/79/907073779.db2.gz ONSYWRWHBBZKKF-GOSISDBHSA-N 1 1 416.525 4.239 20 30 HIEDMO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000497594039 907073795 /nfs/dbraw/zinc/07/37/95/907073795.db2.gz ONSYWRWHBBZKKF-GOSISDBHSA-N 1 1 416.525 4.239 20 30 HIEDMO CCN(CC(O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766591 907259338 /nfs/dbraw/zinc/25/93/38/907259338.db2.gz FNKHGKLVVFVXOA-PMACEKPBSA-N 1 1 404.558 4.257 20 30 HIEDMO CCN(C[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259491 /nfs/dbraw/zinc/25/94/91/907259491.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 1 1 404.558 4.257 20 30 HIEDMO CCN(C[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259508 /nfs/dbraw/zinc/25/95/08/907259508.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 1 1 404.558 4.257 20 30 HIEDMO CCN(C[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259528 /nfs/dbraw/zinc/25/95/28/907259528.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 1 1 404.558 4.257 20 30 HIEDMO CCN(CC(O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766592 907259810 /nfs/dbraw/zinc/25/98/10/907259810.db2.gz FNKHGKLVVFVXOA-WOJBJXKFSA-N 1 1 404.558 4.257 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498464160 907929780 /nfs/dbraw/zinc/92/97/80/907929780.db2.gz YBCSUQRCHMUWFE-HXUWFJFHSA-N 1 1 405.542 4.379 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000498482408 907953915 /nfs/dbraw/zinc/95/39/15/907953915.db2.gz URVXXOMPCPSDJE-IBGZPJMESA-N 1 1 421.589 4.323 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499315784 908688434 /nfs/dbraw/zinc/68/84/34/908688434.db2.gz MALVOZJLIPZWMN-QGZVFWFLSA-N 1 1 408.502 4.115 20 30 HIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000499708941 908884370 /nfs/dbraw/zinc/88/43/70/908884370.db2.gz HRJFYWFFZKAYSS-NRFANRHFSA-N 1 1 407.562 4.075 20 30 HIEDMO COCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cc(Br)cs1 ZINC000499731183 908892802 /nfs/dbraw/zinc/89/28/02/908892802.db2.gz FERDPIBLFUHPOV-UHFFFAOYSA-N 1 1 401.370 4.060 20 30 HIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(I)c(Cl)c2)c(F)c1 ZINC000500436796 909856114 /nfs/dbraw/zinc/85/61/14/909856114.db2.gz ANGYOHNXYHASJU-UHFFFAOYSA-N 1 1 400.622 4.245 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000500862098 910136389 /nfs/dbraw/zinc/13/63/89/910136389.db2.gz LAHJADRSCVDCKA-GHTZIAJQSA-N 1 1 415.493 4.296 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000500890414 910161229 /nfs/dbraw/zinc/16/12/29/910161229.db2.gz OWVUDJFDRCPOAC-HXUWFJFHSA-N 1 1 408.502 4.163 20 30 HIEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501048349 910259377 /nfs/dbraw/zinc/25/93/77/910259377.db2.gz GMPVKFYSTJIWCW-HRAATJIYSA-N 1 1 409.331 4.264 20 30 HIEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000501141105 910320464 /nfs/dbraw/zinc/32/04/64/910320464.db2.gz GVBMRMZVOVCDLF-OAQYLSRUSA-N 1 1 410.493 4.080 20 30 HIEDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000513144807 921583506 /nfs/dbraw/zinc/58/35/06/921583506.db2.gz NUVSWVIUDWWRGT-LJQANCHMSA-N 1 1 405.267 4.028 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751786 910810563 /nfs/dbraw/zinc/81/05/63/910810563.db2.gz MBMBQDYCVQVYTF-HXUWFJFHSA-N 1 1 408.546 4.483 20 30 HIEDMO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501959776 910945454 /nfs/dbraw/zinc/94/54/54/910945454.db2.gz IJUKSLHTMZXARV-OFNKIYASSA-N 1 1 421.589 4.030 20 30 HIEDMO C=CCn1c(SCCCCn2cc[nH+]c2C)nnc1[C@H]1COc2ccccc2O1 ZINC000502141279 911065221 /nfs/dbraw/zinc/06/52/21/911065221.db2.gz YVQKHJLVBHRDRS-LJQANCHMSA-N 1 1 411.531 4.054 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000502152945 911075652 /nfs/dbraw/zinc/07/56/52/911075652.db2.gz CWUFMUJTDNZVDL-REWPJTCUSA-N 1 1 409.578 4.072 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318011 911290775 /nfs/dbraw/zinc/29/07/75/911290775.db2.gz DUGMRFZQYDCSBF-CYFREDJKSA-N 1 1 400.526 4.192 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328587 911303929 /nfs/dbraw/zinc/30/39/29/911303929.db2.gz WHXKHGMZIXKJIF-NRFANRHFSA-N 1 1 414.557 4.376 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000502532299 911537526 /nfs/dbraw/zinc/53/75/26/911537526.db2.gz YDDCXGALSSGIRJ-MRXNPFEDSA-N 1 1 424.342 4.287 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000502532299 911537532 /nfs/dbraw/zinc/53/75/32/911537532.db2.gz YDDCXGALSSGIRJ-MRXNPFEDSA-N 1 1 424.342 4.287 20 30 HIEDMO CCOc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC000506279598 914880508 /nfs/dbraw/zinc/88/05/08/914880508.db2.gz JTHXIOMJDKQDBE-UHFFFAOYSA-N 1 1 413.949 4.327 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310653 914900232 /nfs/dbraw/zinc/90/02/32/914900232.db2.gz XVJGTPZAAWCQIH-XMMPIXPASA-N 1 1 422.475 4.435 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000506462058 915060265 /nfs/dbraw/zinc/06/02/65/915060265.db2.gz ZKCUJDHMABNSPQ-XMMPIXPASA-N 1 1 415.493 4.011 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000506462058 915060294 /nfs/dbraw/zinc/06/02/94/915060294.db2.gz ZKCUJDHMABNSPQ-XMMPIXPASA-N 1 1 415.493 4.011 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1OCC ZINC000506541624 915185801 /nfs/dbraw/zinc/18/58/01/915185801.db2.gz QWGLTDULZOVBAK-OAHLLOKOSA-N 1 1 410.352 4.414 20 30 HIEDMO N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000506753532 915447783 /nfs/dbraw/zinc/44/77/83/915447783.db2.gz YIXMLWDHXPIBCA-UHFFFAOYSA-N 1 1 403.442 4.198 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939639 915744393 /nfs/dbraw/zinc/74/43/93/915744393.db2.gz JOAVPJCOBRTKDH-UXHICEINSA-N 1 1 414.619 4.087 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccccc3C)C2)c1C#N ZINC000507180537 915927452 /nfs/dbraw/zinc/92/74/52/915927452.db2.gz MDBAOUNDAQGBKS-FQEVSTJZSA-N 1 1 416.525 4.354 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1OCCc2ccccc21 ZINC000507242719 916002805 /nfs/dbraw/zinc/00/28/05/916002805.db2.gz NKERQUHGYZRANH-OAQYLSRUSA-N 1 1 423.582 4.463 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1OCCc2ccccc21 ZINC000507242718 916004164 /nfs/dbraw/zinc/00/41/64/916004164.db2.gz NKERQUHGYZRANH-NRFANRHFSA-N 1 1 423.582 4.463 20 30 HIEDMO Cc1csc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n1 ZINC000507247649 916007251 /nfs/dbraw/zinc/00/72/51/916007251.db2.gz POVVCEVBQHXZMZ-UHFFFAOYSA-N 1 1 404.539 4.224 20 30 HIEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832980 916637114 /nfs/dbraw/zinc/63/71/14/916637114.db2.gz FLNVVHVORPEXJY-GOSISDBHSA-N 1 1 417.509 4.367 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000507955388 916814352 /nfs/dbraw/zinc/81/43/52/916814352.db2.gz FKNOJMILDSDZRB-FQEVSTJZSA-N 1 1 408.571 4.183 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000507955388 916814359 /nfs/dbraw/zinc/81/43/59/916814359.db2.gz FKNOJMILDSDZRB-FQEVSTJZSA-N 1 1 408.571 4.183 20 30 HIEDMO N#Cc1cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1OC(F)(F)F ZINC000508241128 917059529 /nfs/dbraw/zinc/05/95/29/917059529.db2.gz JNZDRMPNNRNASS-UHFFFAOYSA-N 1 1 423.301 4.227 20 30 HIEDMO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508480865 917265415 /nfs/dbraw/zinc/26/54/15/917265415.db2.gz LAHJQTNFCFJJEV-MRXNPFEDSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508506797 917291415 /nfs/dbraw/zinc/29/14/15/917291415.db2.gz GLQGNWDAGRIWLB-UHFFFAOYSA-N 1 1 408.594 4.173 20 30 HIEDMO COCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576833 917350051 /nfs/dbraw/zinc/35/00/51/917350051.db2.gz CYLLSHAPAUZCQT-OAHLLOKOSA-N 1 1 402.420 4.434 20 30 HIEDMO COCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576833 917350059 /nfs/dbraw/zinc/35/00/59/917350059.db2.gz CYLLSHAPAUZCQT-OAHLLOKOSA-N 1 1 402.420 4.434 20 30 HIEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508883777 917638521 /nfs/dbraw/zinc/63/85/21/917638521.db2.gz CPIMUUHQEVPNSV-YADHBBJMSA-N 1 1 423.605 4.176 20 30 HIEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508895017 917651493 /nfs/dbraw/zinc/65/14/93/917651493.db2.gz MTCJCSBTPRJIMC-RBUKOAKNSA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508953574 917709992 /nfs/dbraw/zinc/70/99/92/917709992.db2.gz VBYPJPYYFORPEW-NRFANRHFSA-N 1 1 403.574 4.376 20 30 HIEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000509073320 917818254 /nfs/dbraw/zinc/81/82/54/917818254.db2.gz ZZTKIMNBIVKLJA-QFBILLFUSA-N 1 1 422.392 4.116 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000509073320 917818255 /nfs/dbraw/zinc/81/82/55/917818255.db2.gz ZZTKIMNBIVKLJA-QFBILLFUSA-N 1 1 422.392 4.116 20 30 HIEDMO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509073318 917818318 /nfs/dbraw/zinc/81/83/18/917818318.db2.gz ZZTKIMNBIVKLJA-APWZRJJASA-N 1 1 422.392 4.116 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509073318 917818323 /nfs/dbraw/zinc/81/83/23/917818323.db2.gz ZZTKIMNBIVKLJA-APWZRJJASA-N 1 1 422.392 4.116 20 30 HIEDMO Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)sc1SCC#N ZINC000509077341 917822783 /nfs/dbraw/zinc/82/27/83/917822783.db2.gz JPMAOAFLJJDANS-HNNXBMFYSA-N 1 1 422.526 4.163 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372079 918037319 /nfs/dbraw/zinc/03/73/19/918037319.db2.gz LUQLZJYJXXFVPM-SFHVURJKSA-N 1 1 412.921 4.268 20 30 HIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000510074625 918642774 /nfs/dbraw/zinc/64/27/74/918642774.db2.gz RGHYXAIOISLPIC-VWLOTQADSA-N 1 1 413.525 4.126 20 30 HIEDMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)n2c3ccccc3nc2c1C#N ZINC000510103308 918666676 /nfs/dbraw/zinc/66/66/76/918666676.db2.gz GRDVSUPHUDXHCG-UHFFFAOYSA-N 1 1 411.509 4.112 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000510242124 918780551 /nfs/dbraw/zinc/78/05/51/918780551.db2.gz YCBLYVARUARLIA-UHFFFAOYSA-N 1 1 422.598 4.033 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](n3ncc4ccccc43)C1)CCCC2 ZINC000510418780 918886127 /nfs/dbraw/zinc/88/61/27/918886127.db2.gz ZLQSKKDJFRCINJ-KRWDZBQOSA-N 1 1 419.554 4.124 20 30 HIEDMO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511282650 919877150 /nfs/dbraw/zinc/87/71/50/919877150.db2.gz AVHIYSHMFNEWSN-PKOBYXMFSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511423488 920037491 /nfs/dbraw/zinc/03/74/91/920037491.db2.gz NHNPLRSASPWGHV-JFXNKROBSA-N 1 1 424.589 4.200 20 30 HIEDMO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511710617 920375331 /nfs/dbraw/zinc/37/53/31/920375331.db2.gz UROKOUMQAJXVDZ-FYYLOGMGSA-N 1 1 411.496 4.175 20 30 HIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000511750203 920428198 /nfs/dbraw/zinc/42/81/98/920428198.db2.gz AWLQUVYBWYHDPO-HSZRJFAPSA-N 1 1 414.509 4.244 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1C ZINC000511797257 920491070 /nfs/dbraw/zinc/49/10/70/920491070.db2.gz NDCRDMLUFNZOAU-GIFXNVAJSA-N 1 1 417.553 4.055 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000512215172 920962683 /nfs/dbraw/zinc/96/26/83/920962683.db2.gz ZABRDZUTJGKTLW-INIZCTEOSA-N 1 1 412.342 4.195 20 30 HIEDMO Cn1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003110 /nfs/dbraw/zinc/00/31/10/921003110.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 1 1 411.553 4.057 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000512263305 921022511 /nfs/dbraw/zinc/02/25/11/921022511.db2.gz IGMUWPFTAXHMBA-LJQANCHMSA-N 1 1 401.514 4.307 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000512263305 921022519 /nfs/dbraw/zinc/02/25/19/921022519.db2.gz IGMUWPFTAXHMBA-LJQANCHMSA-N 1 1 401.514 4.307 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c1C#N ZINC000512340259 921085683 /nfs/dbraw/zinc/08/56/83/921085683.db2.gz HUSJHBKFWVSQJA-QHCPKHFHSA-N 1 1 420.557 4.012 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1C#N ZINC000512340259 921085696 /nfs/dbraw/zinc/08/56/96/921085696.db2.gz HUSJHBKFWVSQJA-QHCPKHFHSA-N 1 1 420.557 4.012 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000512347322 921092795 /nfs/dbraw/zinc/09/27/95/921092795.db2.gz OHZSPYRXGAOIMH-GCJKJVERSA-N 1 1 423.582 4.391 20 30 HIEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000513678529 922000532 /nfs/dbraw/zinc/00/05/32/922000532.db2.gz OOSGRRPATFNUKT-OAHLLOKOSA-N 1 1 420.513 4.465 20 30 HIEDMO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000513949386 922267570 /nfs/dbraw/zinc/26/75/70/922267570.db2.gz ZWLZBZMEXYMQDV-UHFFFAOYSA-N 1 1 415.497 4.194 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928406 922846294 /nfs/dbraw/zinc/84/62/94/922846294.db2.gz UNUVQJCMTAUVOX-ZJSXRUAMSA-N 1 1 416.481 4.113 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000515217572 922998902 /nfs/dbraw/zinc/99/89/02/922998902.db2.gz PSEGCYOIHDNEBV-FQEVSTJZSA-N 1 1 417.538 4.002 20 30 HIEDMO C[N@@H+](CCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CCCCC1 ZINC000515217977 922999286 /nfs/dbraw/zinc/99/92/86/922999286.db2.gz ZDYMSCYUNDCVIP-UHFFFAOYSA-N 1 1 411.575 4.382 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522810 923153923 /nfs/dbraw/zinc/15/39/23/923153923.db2.gz KBQKSISFZXIEIC-VAMGGRTRSA-N 1 1 404.558 4.153 20 30 HIEDMO CC(C)(C#N)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000516893098 923929680 /nfs/dbraw/zinc/92/96/80/923929680.db2.gz TXNYGIIBGNVTHJ-UHFFFAOYSA-N 1 1 402.498 4.328 20 30 HIEDMO Cc1cccc(OC(F)F)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000517599376 926707780 /nfs/dbraw/zinc/70/77/80/926707780.db2.gz CCIVAABKLDWVTR-UHFFFAOYSA-N 1 1 414.456 4.208 20 30 HIEDMO Cc1cccc(OC(F)F)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000517599376 926707793 /nfs/dbraw/zinc/70/77/93/926707793.db2.gz CCIVAABKLDWVTR-UHFFFAOYSA-N 1 1 414.456 4.208 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000517648772 926756254 /nfs/dbraw/zinc/75/62/54/926756254.db2.gz WOVYULAHOKXQLP-LJQANCHMSA-N 1 1 415.493 4.077 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000517648772 926756264 /nfs/dbraw/zinc/75/62/64/926756264.db2.gz WOVYULAHOKXQLP-LJQANCHMSA-N 1 1 415.493 4.077 20 30 HIEDMO CC1(C)CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000517688917 926793627 /nfs/dbraw/zinc/79/36/27/926793627.db2.gz LFNGBPCEJJUIJQ-UHFFFAOYSA-N 1 1 405.542 4.230 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000518011950 926951748 /nfs/dbraw/zinc/95/17/48/926951748.db2.gz SPDNKLPEYPFAMP-RUZDIDTESA-N 1 1 414.557 4.019 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000518152688 927049044 /nfs/dbraw/zinc/04/90/44/927049044.db2.gz UDLKYTITCFWUBI-TZIWHRDSSA-N 1 1 402.546 4.015 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)cc1 ZINC000518173248 927063755 /nfs/dbraw/zinc/06/37/55/927063755.db2.gz ZMFMDHYGHLTMRF-UHFFFAOYSA-N 1 1 403.526 4.228 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)cc1 ZINC000518173248 927063773 /nfs/dbraw/zinc/06/37/73/927063773.db2.gz ZMFMDHYGHLTMRF-UHFFFAOYSA-N 1 1 403.526 4.228 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000518754651 927477715 /nfs/dbraw/zinc/47/77/15/927477715.db2.gz VFYDBQAHDQXTCQ-GOSISDBHSA-N 1 1 424.570 4.235 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1nnc2n1CCCCC2 ZINC000518767427 927483223 /nfs/dbraw/zinc/48/32/23/927483223.db2.gz AEICNMZKWFJMTH-SFHVURJKSA-N 1 1 401.514 4.306 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nccn3CC(F)(F)F)c2)c1 ZINC000518783371 927490031 /nfs/dbraw/zinc/49/00/31/927490031.db2.gz JVMNOHPWVQIJEG-UHFFFAOYSA-N 1 1 400.404 4.186 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849241 927552986 /nfs/dbraw/zinc/55/29/86/927552986.db2.gz VNXRGEGSXQDIBM-XLIONFOSSA-N 1 1 419.422 4.438 20 30 HIEDMO C=CCc1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721547 928056399 /nfs/dbraw/zinc/05/63/99/928056399.db2.gz HUORKQIUZSAQFE-INIZCTEOSA-N 1 1 409.452 4.261 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)cc1 ZINC000520158328 928350072 /nfs/dbraw/zinc/35/00/72/928350072.db2.gz MVUWSMBXUOQKBW-UHFFFAOYSA-N 1 1 417.340 4.283 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC000520271778 928436084 /nfs/dbraw/zinc/43/60/84/928436084.db2.gz JNBDICKPHVRVQQ-OAQYLSRUSA-N 1 1 410.587 4.342 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000520383040 928536672 /nfs/dbraw/zinc/53/66/72/928536672.db2.gz ZAETYOXKVGNFLD-VWLOTQADSA-N 1 1 418.541 4.475 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000521783389 929443183 /nfs/dbraw/zinc/44/31/83/929443183.db2.gz QYOBXOKGAYDVLA-UHFFFAOYSA-N 1 1 404.558 4.174 20 30 HIEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810442 929467435 /nfs/dbraw/zinc/46/74/35/929467435.db2.gz OQKUGBXNWAWVMW-QGZVFWFLSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810442 929467478 /nfs/dbraw/zinc/46/74/78/929467478.db2.gz OQKUGBXNWAWVMW-QGZVFWFLSA-N 1 1 400.486 4.375 20 30 HIEDMO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+](C)Cc1ccccc1 ZINC000524488424 929634919 /nfs/dbraw/zinc/63/49/19/929634919.db2.gz RTVMBACDKLSOAF-FQEVSTJZSA-N 1 1 413.521 4.388 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000524757547 929819825 /nfs/dbraw/zinc/81/98/25/929819825.db2.gz BVEZUGVOGJSMOI-XMMPIXPASA-N 1 1 404.558 4.453 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525124134 930050089 /nfs/dbraw/zinc/05/00/89/930050089.db2.gz YRIWZFQJKXFOAX-URVUXULASA-N 1 1 405.542 4.456 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000527316880 930633745 /nfs/dbraw/zinc/63/37/45/930633745.db2.gz GPUUEYPXYRSFCH-CTNGQTDRSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000527316880 930633747 /nfs/dbraw/zinc/63/37/47/930633747.db2.gz GPUUEYPXYRSFCH-CTNGQTDRSA-N 1 1 414.456 4.191 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638756 930782818 /nfs/dbraw/zinc/78/28/18/930782818.db2.gz ABXWYEFCLJOWHX-UYAOXDASSA-N 1 1 417.431 4.178 20 30 HIEDMO N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000532429914 931431469 /nfs/dbraw/zinc/43/14/69/931431469.db2.gz KZSBFEYLZSVXPF-VXKWHMMOSA-N 1 1 421.566 4.083 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519513 931472308 /nfs/dbraw/zinc/47/23/08/931472308.db2.gz AKUFIXACTNDJBA-IBGZPJMESA-N 1 1 411.889 4.149 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000532571274 931533913 /nfs/dbraw/zinc/53/39/13/931533913.db2.gz LWPQMIUAKVQTTK-GOSISDBHSA-N 1 1 422.573 4.303 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000532571274 931533931 /nfs/dbraw/zinc/53/39/31/931533931.db2.gz LWPQMIUAKVQTTK-GOSISDBHSA-N 1 1 422.573 4.303 20 30 HIEDMO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000532745202 931620008 /nfs/dbraw/zinc/62/00/08/931620008.db2.gz LJXJFTJSBWAEKI-UHFFFAOYSA-N 1 1 415.493 4.254 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000532745202 931620010 /nfs/dbraw/zinc/62/00/10/931620010.db2.gz LJXJFTJSBWAEKI-UHFFFAOYSA-N 1 1 415.493 4.254 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768745 931627811 /nfs/dbraw/zinc/62/78/11/931627811.db2.gz DRGSNNBCADFJIT-OALUTQOASA-N 1 1 411.571 4.002 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1C#N ZINC000532924721 931696761 /nfs/dbraw/zinc/69/67/61/931696761.db2.gz HFNXQPOEXRYDKD-UHFFFAOYSA-N 1 1 419.573 4.243 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)c1C#N ZINC000532924721 931696767 /nfs/dbraw/zinc/69/67/67/931696767.db2.gz HFNXQPOEXRYDKD-UHFFFAOYSA-N 1 1 419.573 4.243 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959623 931714653 /nfs/dbraw/zinc/71/46/53/931714653.db2.gz STQNZOVGEHEWIU-RXVVDRJESA-N 1 1 420.431 4.033 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727643 /nfs/dbraw/zinc/72/76/43/931727643.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727675 /nfs/dbraw/zinc/72/76/75/931727675.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727681 /nfs/dbraw/zinc/72/76/81/931727681.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 1 1 407.558 4.450 20 30 HIEDMO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000533224716 931813961 /nfs/dbraw/zinc/81/39/61/931813961.db2.gz FMVMWUZHXDSYKP-UHFFFAOYSA-N 1 1 401.514 4.112 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000533224716 931813963 /nfs/dbraw/zinc/81/39/63/931813963.db2.gz FMVMWUZHXDSYKP-UHFFFAOYSA-N 1 1 401.514 4.112 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000533243200 931817199 /nfs/dbraw/zinc/81/71/99/931817199.db2.gz JVIBYTOONGHEJM-JOCHJYFZSA-N 1 1 416.525 4.259 20 30 HIEDMO COCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000533254858 931820175 /nfs/dbraw/zinc/82/01/75/931820175.db2.gz DHAOYXGRFSHGRO-OAHLLOKOSA-N 1 1 405.420 4.225 20 30 HIEDMO COCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000533254858 931820179 /nfs/dbraw/zinc/82/01/79/931820179.db2.gz DHAOYXGRFSHGRO-OAHLLOKOSA-N 1 1 405.420 4.225 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000533280144 931826479 /nfs/dbraw/zinc/82/64/79/931826479.db2.gz RAULWKCXNUCAAR-UHFFFAOYSA-N 1 1 419.529 4.442 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379789 931853662 /nfs/dbraw/zinc/85/36/62/931853662.db2.gz AUIVMYUCVIWBBR-DENIHFKCSA-N 1 1 422.916 4.179 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379789 931853663 /nfs/dbraw/zinc/85/36/63/931853663.db2.gz AUIVMYUCVIWBBR-DENIHFKCSA-N 1 1 422.916 4.179 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533512505 931890042 /nfs/dbraw/zinc/89/00/42/931890042.db2.gz XTTHTRFITQSBTH-YSTOQKLRSA-N 1 1 414.619 4.214 20 30 HIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606854 931920678 /nfs/dbraw/zinc/92/06/78/931920678.db2.gz OIFDIOJUHKOIGE-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606854 931920688 /nfs/dbraw/zinc/92/06/88/931920688.db2.gz OIFDIOJUHKOIGE-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018868 932201419 /nfs/dbraw/zinc/20/14/19/932201419.db2.gz IXKWDXZKXJEJDX-LOSJGSFVSA-N 1 1 411.505 4.312 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534245226 932362693 /nfs/dbraw/zinc/36/26/93/932362693.db2.gz BUIBZOIGOMTEGT-UTKZUKDTSA-N 1 1 411.908 4.192 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000534691674 932662731 /nfs/dbraw/zinc/66/27/31/932662731.db2.gz PTYDLIPFNUSEPY-GOSISDBHSA-N 1 1 423.523 4.191 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676130 933325289 /nfs/dbraw/zinc/32/52/89/933325289.db2.gz OGNPASJNDUZZCH-UZLBHIALSA-N 1 1 400.885 4.360 20 30 HIEDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684319 933339069 /nfs/dbraw/zinc/33/90/69/933339069.db2.gz UKIXPQJLDXQBIL-HLLQZAQXSA-N 1 1 414.912 4.404 20 30 HIEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1C#N ZINC000535962423 933527507 /nfs/dbraw/zinc/52/75/07/933527507.db2.gz DCTVVZORBOXZMA-CYBMUJFWSA-N 1 1 409.433 4.200 20 30 HIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1C#N ZINC000535962423 933527514 /nfs/dbraw/zinc/52/75/14/933527514.db2.gz DCTVVZORBOXZMA-CYBMUJFWSA-N 1 1 409.433 4.200 20 30 HIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000537621482 938336518 /nfs/dbraw/zinc/33/65/18/938336518.db2.gz SNHQVRHCDBCEOT-FQEVSTJZSA-N 1 1 403.320 4.297 20 30 HIEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000537683971 938353622 /nfs/dbraw/zinc/35/36/22/938353622.db2.gz PEDQJRYCMWTTKJ-JOCHJYFZSA-N 1 1 401.514 4.382 20 30 HIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000537683971 938353626 /nfs/dbraw/zinc/35/36/26/938353626.db2.gz PEDQJRYCMWTTKJ-JOCHJYFZSA-N 1 1 401.514 4.382 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1OCC ZINC000537687198 938354425 /nfs/dbraw/zinc/35/44/25/938354425.db2.gz DEUXFAJXNJUVDQ-WMZOPIPTSA-N 1 1 410.352 4.414 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)cc1 ZINC000537711238 938361560 /nfs/dbraw/zinc/36/15/60/938361560.db2.gz XEYKTGAXSOBQMZ-SFHVURJKSA-N 1 1 401.576 4.123 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537857159 938391740 /nfs/dbraw/zinc/39/17/40/938391740.db2.gz BHYBQIVIDBXOSQ-KRWDZBQOSA-N 1 1 401.514 4.134 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1 ZINC000538223809 938563681 /nfs/dbraw/zinc/56/36/81/938563681.db2.gz VYASLXHQZWFWKG-LIRRHRJNSA-N 1 1 419.497 4.275 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(F)cc2)c1 ZINC000538605220 938660104 /nfs/dbraw/zinc/66/01/04/938660104.db2.gz POASKOSMFITTGS-FQEVSTJZSA-N 1 1 400.500 4.042 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732247 938695572 /nfs/dbraw/zinc/69/55/72/938695572.db2.gz YDVSKBHXXYUIQS-OAHLLOKOSA-N 1 1 415.444 4.022 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OCC ZINC000538751805 938702243 /nfs/dbraw/zinc/70/22/43/938702243.db2.gz OUGLWVFAUMJPLU-DLBZAZTESA-N 1 1 410.352 4.271 20 30 HIEDMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000538785073 938710353 /nfs/dbraw/zinc/71/03/53/938710353.db2.gz YRGRUEUFWRYGGF-FQEVSTJZSA-N 1 1 421.541 4.012 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000539369474 938850228 /nfs/dbraw/zinc/85/02/28/938850228.db2.gz BEGZXFBKMUGEQA-ZDUSSCGKSA-N 1 1 411.506 4.159 20 30 HIEDMO N#CC1(c2ccc(C(=O)Nc3ccnn3[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000539666810 938897301 /nfs/dbraw/zinc/89/73/01/938897301.db2.gz SGXHBXIZPZKUCS-JOCHJYFZSA-N 1 1 411.509 4.138 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000540055665 939052411 /nfs/dbraw/zinc/05/24/11/939052411.db2.gz OWFWPLUQBGUTSQ-UHFFFAOYSA-N 1 1 421.932 4.399 20 30 HIEDMO O=C1CCCN1C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000540320101 939193340 /nfs/dbraw/zinc/19/33/40/939193340.db2.gz YFHUPUNWHJFMGN-HXUWFJFHSA-N 1 1 404.407 4.149 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CC)c2cc(F)ccc2F)cc1 ZINC000540455293 939257529 /nfs/dbraw/zinc/25/75/29/939257529.db2.gz BLUNDVWEZLYXKI-NRFANRHFSA-N 1 1 401.457 4.351 20 30 HIEDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131990 939472260 /nfs/dbraw/zinc/47/22/60/939472260.db2.gz DBCOCCUUIIRYRA-KOSHJBKYSA-N 1 1 403.526 4.046 20 30 HIEDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159257 939480859 /nfs/dbraw/zinc/48/08/59/939480859.db2.gz WVQNRGZBASBRAB-GLYQVZKVSA-N 1 1 402.542 4.412 20 30 HIEDMO Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cn1 ZINC000541204926 939485503 /nfs/dbraw/zinc/48/55/03/939485503.db2.gz XLHSQUQQLRSAQH-QGZVFWFLSA-N 1 1 408.571 4.460 20 30 HIEDMO CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000541442283 939516847 /nfs/dbraw/zinc/51/68/47/939516847.db2.gz OLMHPIPHCJIFIO-UHFFFAOYSA-N 1 1 402.542 4.069 20 30 HIEDMO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nnc2ccccn21 ZINC000541613874 939571321 /nfs/dbraw/zinc/57/13/21/939571321.db2.gz SYJPXCVMJYULJW-IIBYNOLFSA-N 1 1 422.558 4.049 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000541702929 939609227 /nfs/dbraw/zinc/60/92/27/939609227.db2.gz AMDBFMRBKOCJKR-UHFFFAOYSA-N 1 1 422.573 4.140 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1sccc1Br ZINC000541881574 939649061 /nfs/dbraw/zinc/64/90/61/939649061.db2.gz JTHJXKOQERQZQY-LRDDRELGSA-N 1 1 404.333 4.228 20 30 HIEDMO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000541967338 939664997 /nfs/dbraw/zinc/66/49/97/939664997.db2.gz UQLPGYMILWEDQG-DNQXCXABSA-N 1 1 407.558 4.150 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(C#N)c1C ZINC000542124754 939721995 /nfs/dbraw/zinc/72/19/95/939721995.db2.gz QBNWTJPUHKBPQP-HXUWFJFHSA-N 1 1 408.889 4.329 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542406121 939816077 /nfs/dbraw/zinc/81/60/77/939816077.db2.gz ZSCUTPNSMIHPTJ-FZWXVRBQSA-N 1 1 416.569 4.389 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 ZINC000542703322 939855443 /nfs/dbraw/zinc/85/54/43/939855443.db2.gz OBEBZSXBUFPDOH-UHFFFAOYSA-N 1 1 421.438 4.346 20 30 HIEDMO N#CCC1CC[NH+](Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC000542878884 939864782 /nfs/dbraw/zinc/86/47/82/939864782.db2.gz LADDKRTVUFWZAZ-UHFFFAOYSA-N 1 1 407.255 4.072 20 30 HIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542964157 939887196 /nfs/dbraw/zinc/88/71/96/939887196.db2.gz GZHUJSGZKDUUIC-MRXNPFEDSA-N 1 1 414.941 4.031 20 30 HIEDMO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543264616 940012936 /nfs/dbraw/zinc/01/29/36/940012936.db2.gz RVWGYUNGLOEOJD-LJQANCHMSA-N 1 1 422.598 4.414 20 30 HIEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543382260 940047419 /nfs/dbraw/zinc/04/74/19/940047419.db2.gz ZAHJYROYUUDVJH-IBGZPJMESA-N 1 1 422.529 4.029 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)n1 ZINC000543477282 940077594 /nfs/dbraw/zinc/07/75/94/940077594.db2.gz QYYQMTWUUPTBLP-BFUOFWGJSA-N 1 1 400.573 4.383 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)n1 ZINC000543477285 940077687 /nfs/dbraw/zinc/07/76/87/940077687.db2.gz QYYQMTWUUPTBLP-YJYMSZOUSA-N 1 1 400.573 4.383 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1OC ZINC000543764686 940178611 /nfs/dbraw/zinc/17/86/11/940178611.db2.gz XZCLEHVSQLXFTQ-GOSISDBHSA-N 1 1 406.320 4.236 20 30 HIEDMO C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425116 940424352 /nfs/dbraw/zinc/42/43/52/940424352.db2.gz OLBUTHPDGLFMLO-IAGOWNOFSA-N 1 1 414.619 4.070 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636822 941116882 /nfs/dbraw/zinc/11/68/82/941116882.db2.gz LGAYFJRDHRRORB-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636822 941116888 /nfs/dbraw/zinc/11/68/88/941116888.db2.gz LGAYFJRDHRRORB-VQTJNVASSA-N 1 1 403.860 4.444 20 30 HIEDMO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548956485 941133887 /nfs/dbraw/zinc/13/38/87/941133887.db2.gz DWGHCLPRGFGRJM-UHFFFAOYSA-N 1 1 406.578 4.024 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549176723 941168680 /nfs/dbraw/zinc/16/86/80/941168680.db2.gz JEWYDXGDDHVKOA-JOCHJYFZSA-N 1 1 420.557 4.025 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549286057 941176916 /nfs/dbraw/zinc/17/69/16/941176916.db2.gz QQYMSWPDLNWTAH-UNMCSNQZSA-N 1 1 418.589 4.484 20 30 HIEDMO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C#N ZINC000549330256 941180572 /nfs/dbraw/zinc/18/05/72/941180572.db2.gz VWBIOVNMELZSNC-UXGKSEPASA-N 1 1 408.933 4.259 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000549653808 941203075 /nfs/dbraw/zinc/20/30/75/941203075.db2.gz DHVVWJTWESGUDS-UHFFFAOYSA-N 1 1 406.578 4.341 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000549670181 941203866 /nfs/dbraw/zinc/20/38/66/941203866.db2.gz XBMRYWJJDBHELL-UHFFFAOYSA-N 1 1 408.594 4.255 20 30 HIEDMO CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC000549806947 941207961 /nfs/dbraw/zinc/20/79/61/941207961.db2.gz BIWDATMUAFTJLI-RTBURBONSA-N 1 1 400.320 4.041 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393511 941321658 /nfs/dbraw/zinc/32/16/58/941321658.db2.gz NVQALNZIDGEGPR-MRXNPFEDSA-N 1 1 415.946 4.244 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3sc4ccc(C#N)cc4c3C)CC2)oc1C ZINC000550630214 941348103 /nfs/dbraw/zinc/34/81/03/941348103.db2.gz XMQHTLDZSQDRFM-UHFFFAOYSA-N 1 1 422.554 4.328 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914947 941381878 /nfs/dbraw/zinc/38/18/78/941381878.db2.gz ZVSWBPBINNBMPH-YLJYHZDGSA-N 1 1 416.447 4.093 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cscc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288911 941444032 /nfs/dbraw/zinc/44/40/32/941444032.db2.gz BWWOJHJYCGTZPB-KSSFIOAISA-N 1 1 407.461 4.451 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OCC ZINC000552086155 941582217 /nfs/dbraw/zinc/58/22/17/941582217.db2.gz ZIAOHSXICHNCIH-GOSISDBHSA-N 1 1 410.352 4.292 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1csc(Br)c1 ZINC000552836493 941782432 /nfs/dbraw/zinc/78/24/32/941782432.db2.gz FPJAFFAUQFORJS-UHFFFAOYSA-N 1 1 412.740 4.496 20 30 HIEDMO N#Cc1cc(Cl)cc(Br)c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000553162523 941842966 /nfs/dbraw/zinc/84/29/66/941842966.db2.gz ZZWSNRIUPRIDPJ-QGZVFWFLSA-N 1 1 420.738 4.153 20 30 HIEDMO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553335213 941869447 /nfs/dbraw/zinc/86/94/47/941869447.db2.gz UASXKGSTNUQTGM-DEOSSOPVSA-N 1 1 404.464 4.487 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000553918137 941997722 /nfs/dbraw/zinc/99/77/22/941997722.db2.gz SWLRLWQIODEEGX-MRXNPFEDSA-N 1 1 400.567 4.046 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000554171086 942055773 /nfs/dbraw/zinc/05/57/73/942055773.db2.gz HBEWYFMVMNDQEG-UHFFFAOYSA-N 1 1 422.532 4.465 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000554171086 942055781 /nfs/dbraw/zinc/05/57/81/942055781.db2.gz HBEWYFMVMNDQEG-UHFFFAOYSA-N 1 1 422.532 4.465 20 30 HIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc(OC)c1OC ZINC000554227724 942073400 /nfs/dbraw/zinc/07/34/00/942073400.db2.gz IXYAVWOJOVLURP-GFCCVEGCSA-N 1 1 405.292 4.197 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000554423390 942137215 /nfs/dbraw/zinc/13/72/15/942137215.db2.gz ZBFPEFIJUAZNQD-YOFSQIOKSA-N 1 1 420.513 4.448 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCCC(=O)OC(C)(C)C)sc2C1 ZINC000554889623 942309993 /nfs/dbraw/zinc/30/99/93/942309993.db2.gz XTROVZCIHFKYNK-OAHLLOKOSA-N 1 1 419.591 4.127 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000555062708 942373610 /nfs/dbraw/zinc/37/36/10/942373610.db2.gz JZZCNVMAVGVDGD-KRWDZBQOSA-N 1 1 420.948 4.373 20 30 HIEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000555263408 942452656 /nfs/dbraw/zinc/45/26/56/942452656.db2.gz AULOAIBOXYYJGB-WZONZLPQSA-N 1 1 416.573 4.456 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000556470951 942878008 /nfs/dbraw/zinc/87/80/08/942878008.db2.gz GLXDQPODKLUWBG-MRXNPFEDSA-N 1 1 401.860 4.465 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000556470951 942878010 /nfs/dbraw/zinc/87/80/10/942878010.db2.gz GLXDQPODKLUWBG-MRXNPFEDSA-N 1 1 401.860 4.465 20 30 HIEDMO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000556496773 942884968 /nfs/dbraw/zinc/88/49/68/942884968.db2.gz FPPXZHPOFSDRJU-UHFFFAOYSA-N 1 1 406.873 4.467 20 30 HIEDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000556522792 942891230 /nfs/dbraw/zinc/89/12/30/942891230.db2.gz NBLVHVPYVLBJFO-UHFFFAOYSA-N 1 1 422.577 4.331 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556945142 942975911 /nfs/dbraw/zinc/97/59/11/942975911.db2.gz NMQIGYVASOVZIX-QZTJIDSGSA-N 1 1 414.516 4.278 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000556957814 942979499 /nfs/dbraw/zinc/97/94/99/942979499.db2.gz FUCUZVBBBVJPER-LJQANCHMSA-N 1 1 408.502 4.021 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000556957814 942979502 /nfs/dbraw/zinc/97/95/02/942979502.db2.gz FUCUZVBBBVJPER-LJQANCHMSA-N 1 1 408.502 4.021 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000556971225 942984099 /nfs/dbraw/zinc/98/40/99/942984099.db2.gz NAXJAFOGFGTYTA-PKTZIBPZSA-N 1 1 421.516 4.078 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556981413 942986846 /nfs/dbraw/zinc/98/68/46/942986846.db2.gz BGZNQYNIOVZMNN-JOCHJYFZSA-N 1 1 419.573 4.191 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCn3c(cc4ccccc43)C1)CCC2 ZINC000558170656 943406816 /nfs/dbraw/zinc/40/68/16/943406816.db2.gz WOZGHDWYJHLJDG-UHFFFAOYSA-N 1 1 404.539 4.298 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCn3c(cc4ccccc43)C1)CCC2 ZINC000558170656 943406835 /nfs/dbraw/zinc/40/68/35/943406835.db2.gz WOZGHDWYJHLJDG-UHFFFAOYSA-N 1 1 404.539 4.298 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558280418 943480353 /nfs/dbraw/zinc/48/03/53/943480353.db2.gz HMHCJTVXJWPWJW-UHFFFAOYSA-N 1 1 424.423 4.078 20 30 HIEDMO COc1ccc(-c2ccc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000558621518 943619381 /nfs/dbraw/zinc/61/93/81/943619381.db2.gz XOVKHYUGLDXDIX-UHFFFAOYSA-N 1 1 418.453 4.316 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000559003934 943799574 /nfs/dbraw/zinc/79/95/74/943799574.db2.gz JCWOINIKXRDCAB-JTHBVZDNSA-N 1 1 405.590 4.207 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000559047758 943814875 /nfs/dbraw/zinc/81/48/75/943814875.db2.gz KQQMQSZBSZSFPD-OAHLLOKOSA-N 1 1 416.447 4.134 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1C#N ZINC000560485418 944237979 /nfs/dbraw/zinc/23/79/79/944237979.db2.gz PZXUUSQZOOMARN-IBGZPJMESA-N 1 1 404.388 4.484 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000561031851 944404721 /nfs/dbraw/zinc/40/47/21/944404721.db2.gz QTLSBGSBZLCMRF-LJQANCHMSA-N 1 1 420.586 4.095 20 30 HIEDMO N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561076604 944430051 /nfs/dbraw/zinc/43/00/51/944430051.db2.gz ROMOWYBTOGESAT-SANMLTNESA-N 1 1 424.548 4.455 20 30 HIEDMO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000561077469 944432386 /nfs/dbraw/zinc/43/23/86/944432386.db2.gz WOCKJKVOOYGHOH-RUZDIDTESA-N 1 1 410.521 4.260 20 30 HIEDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Br)cc3C#N)ccc2NC1=O ZINC000561857389 944823533 /nfs/dbraw/zinc/82/35/33/944823533.db2.gz LKSRDBKEIQNFOO-KPZWWZAWSA-N 1 1 414.303 4.281 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc2)c1 ZINC000562089238 944932217 /nfs/dbraw/zinc/93/22/17/944932217.db2.gz RLTOANYAOWQIAW-ZEQRLZLVSA-N 1 1 420.509 4.467 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000564587937 945688497 /nfs/dbraw/zinc/68/84/97/945688497.db2.gz WACXHIAOGADYIU-UHFFFAOYSA-N 1 1 417.985 4.350 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564603273 945700456 /nfs/dbraw/zinc/70/04/56/945700456.db2.gz HUAFQMJMMPFSAH-QFIPXVFZSA-N 1 1 405.542 4.134 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000565061924 945765512 /nfs/dbraw/zinc/76/55/12/945765512.db2.gz PVZMCHHPGXXZKC-UHFFFAOYSA-N 1 1 400.473 4.414 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000565612735 945854400 /nfs/dbraw/zinc/85/44/00/945854400.db2.gz NNBAZTLBUVDBAI-KXBFYZLASA-N 1 1 416.447 4.097 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812551 946710725 /nfs/dbraw/zinc/71/07/25/946710725.db2.gz REQMPKALTXUEFK-IFMALSPDSA-N 1 1 405.542 4.285 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000570886325 947384151 /nfs/dbraw/zinc/38/41/51/947384151.db2.gz SSNOUMDRMKFEQK-NSHDSACASA-N 1 1 400.338 4.125 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000570886325 947384163 /nfs/dbraw/zinc/38/41/63/947384163.db2.gz SSNOUMDRMKFEQK-NSHDSACASA-N 1 1 400.338 4.125 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c1C#N ZINC000572736138 947993668 /nfs/dbraw/zinc/99/36/68/947993668.db2.gz WBPZCBOTWKKGAQ-NHCUHLMSSA-N 1 1 408.546 4.457 20 30 HIEDMO N#CCCn1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c(-c2ccccc2)n1 ZINC000574558197 948472138 /nfs/dbraw/zinc/47/21/38/948472138.db2.gz ADFXJQQZSOJUMG-UHFFFAOYSA-N 1 1 422.536 4.499 20 30 HIEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627204 719080613 /nfs/dbraw/zinc/08/06/13/719080613.db2.gz PRYRESSUANGVLI-MSOLQXFVSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C4(C#N)CCC4)cn2)CC3)cs1 ZINC001164691937 719808706 /nfs/dbraw/zinc/80/87/06/719808706.db2.gz AWFZXZCIZJMOCI-UHFFFAOYSA-N 1 1 407.587 4.427 20 30 HIEDMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)cc1C#N ZINC001164910959 721765383 /nfs/dbraw/zinc/76/53/83/721765383.db2.gz MGYBRZFNUQLJEY-UHFFFAOYSA-N 1 1 407.905 4.098 20 30 HIEDMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)cc1C#N ZINC001164910959 721765385 /nfs/dbraw/zinc/76/53/85/721765385.db2.gz MGYBRZFNUQLJEY-UHFFFAOYSA-N 1 1 407.905 4.098 20 30 HIEDMO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955419 722019505 /nfs/dbraw/zinc/01/95/05/722019505.db2.gz FYESNJRJLUKIKU-UHFFFAOYSA-N 1 1 404.634 4.198 20 30 HIEDMO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000435943247 861208434 /nfs/dbraw/zinc/20/84/34/861208434.db2.gz OMDNTIQDOMLQKI-CTNGQTDRSA-N 1 1 422.598 4.398 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1)C1CC1 ZINC000436166670 861468905 /nfs/dbraw/zinc/46/89/05/861468905.db2.gz SBGZQGAKSNCSDE-UHFFFAOYSA-N 1 1 422.960 4.158 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000008261767 845501855 /nfs/dbraw/zinc/50/18/55/845501855.db2.gz QHLAWPXSTTWPPE-SFHVURJKSA-N 1 1 404.539 4.423 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000008261767 845501860 /nfs/dbraw/zinc/50/18/60/845501860.db2.gz QHLAWPXSTTWPPE-SFHVURJKSA-N 1 1 404.539 4.423 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000010340381 845648230 /nfs/dbraw/zinc/64/82/30/845648230.db2.gz IXARNJBDYQJBHD-JOCHJYFZSA-N 1 1 402.498 4.394 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000010340381 845648235 /nfs/dbraw/zinc/64/82/35/845648235.db2.gz IXARNJBDYQJBHD-JOCHJYFZSA-N 1 1 402.498 4.394 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000023192538 846667667 /nfs/dbraw/zinc/66/76/67/846667667.db2.gz DLPMFQQPHSDYRC-IBGZPJMESA-N 1 1 414.962 4.239 20 30 HIEDMO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753690 846745968 /nfs/dbraw/zinc/74/59/68/846745968.db2.gz BGJLNDJHZCQVGW-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753690 846745979 /nfs/dbraw/zinc/74/59/79/846745979.db2.gz BGJLNDJHZCQVGW-UHFFFAOYSA-N 1 1 410.521 4.277 20 30 HIEDMO CC[C@@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000025758046 847031493 /nfs/dbraw/zinc/03/14/93/847031493.db2.gz WRLXRRJYQWKZIA-FQEVSTJZSA-N 1 1 407.543 4.453 20 30 HIEDMO COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000027353724 847288208 /nfs/dbraw/zinc/28/82/08/847288208.db2.gz QAWUUUJZINLRDT-FQEVSTJZSA-N 1 1 408.523 4.070 20 30 HIEDMO COc1ccccc1C[N@H+](Cc1cccs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000027353724 847288217 /nfs/dbraw/zinc/28/82/17/847288217.db2.gz QAWUUUJZINLRDT-FQEVSTJZSA-N 1 1 408.523 4.070 20 30 HIEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028275697 847401780 /nfs/dbraw/zinc/40/17/80/847401780.db2.gz BRRLJWBXRHNZFW-CQSZACIVSA-N 1 1 410.386 4.144 20 30 HIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028275697 847401785 /nfs/dbraw/zinc/40/17/85/847401785.db2.gz BRRLJWBXRHNZFW-CQSZACIVSA-N 1 1 410.386 4.144 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000028933837 847481101 /nfs/dbraw/zinc/48/11/01/847481101.db2.gz YRRXFYNIZANAOW-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000028933837 847481104 /nfs/dbraw/zinc/48/11/04/847481104.db2.gz YRRXFYNIZANAOW-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c1C#N ZINC000029486857 847569367 /nfs/dbraw/zinc/56/93/67/847569367.db2.gz AHJGZGBCSUUTLT-QFIPXVFZSA-N 1 1 402.498 4.176 20 30 HIEDMO CCC(CC)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCOCC1 ZINC000030944096 847800671 /nfs/dbraw/zinc/80/06/71/847800671.db2.gz SSAQKAQBRZTHML-DEOSSOPVSA-N 1 1 405.542 4.092 20 30 HIEDMO CCC(CC)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCOCC1 ZINC000030944093 847800928 /nfs/dbraw/zinc/80/09/28/847800928.db2.gz SSAQKAQBRZTHML-XMMPIXPASA-N 1 1 405.542 4.092 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000042329252 848318768 /nfs/dbraw/zinc/31/87/68/848318768.db2.gz YEACFQXBRXXSCA-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000042329252 848318775 /nfs/dbraw/zinc/31/87/75/848318775.db2.gz YEACFQXBRXXSCA-LJQANCHMSA-N 1 1 409.530 4.088 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000043278490 848403263 /nfs/dbraw/zinc/40/32/63/848403263.db2.gz WWOZOVOAVARSNQ-UHFFFAOYSA-N 1 1 402.420 4.317 20 30 HIEDMO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000046243950 848810409 /nfs/dbraw/zinc/81/04/09/848810409.db2.gz XEOFTPXTXZMYDV-QGZVFWFLSA-N 1 1 401.535 4.463 20 30 HIEDMO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000046243950 848810416 /nfs/dbraw/zinc/81/04/16/848810416.db2.gz XEOFTPXTXZMYDV-QGZVFWFLSA-N 1 1 401.535 4.463 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000048182770 849186424 /nfs/dbraw/zinc/18/64/24/849186424.db2.gz PWOSQZAADCBMNP-FQEVSTJZSA-N 1 1 419.481 4.280 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000052326154 849571656 /nfs/dbraw/zinc/57/16/56/849571656.db2.gz BNNBDFGLGNKJGG-CQSZACIVSA-N 1 1 404.967 4.137 20 30 HIEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000052496325 849589177 /nfs/dbraw/zinc/58/91/77/849589177.db2.gz TZWCBAGULAUTNG-UHFFFAOYSA-N 1 1 413.572 4.328 20 30 HIEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000053986381 849786551 /nfs/dbraw/zinc/78/65/51/849786551.db2.gz SXDKJDNHTWSELZ-SFHVURJKSA-N 1 1 402.498 4.283 20 30 HIEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340383 849849973 /nfs/dbraw/zinc/84/99/73/849849973.db2.gz FPLOUOFTKCFWGD-GOSISDBHSA-N 1 1 409.530 4.007 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000056758008 850469005 /nfs/dbraw/zinc/46/90/05/850469005.db2.gz MOARIPURYGNANN-UHFFFAOYSA-N 1 1 412.578 4.085 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056914960 850515922 /nfs/dbraw/zinc/51/59/22/850515922.db2.gz ZBFHWEWKWQHVDF-UHFFFAOYSA-N 1 1 417.475 4.466 20 30 HIEDMO COc1ccc2ccccc2c1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000060564412 851148298 /nfs/dbraw/zinc/14/82/98/851148298.db2.gz VMZVYCJUNHJSHG-VWLOTQADSA-N 1 1 405.542 4.401 20 30 HIEDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cs1 ZINC000063594006 851720652 /nfs/dbraw/zinc/72/06/52/851720652.db2.gz IAKGLQOOBAXBGW-ZDUSSCGKSA-N 1 1 402.589 4.224 20 30 HIEDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cs1 ZINC000063594006 851720661 /nfs/dbraw/zinc/72/06/61/851720661.db2.gz IAKGLQOOBAXBGW-ZDUSSCGKSA-N 1 1 402.589 4.224 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000063751177 851754349 /nfs/dbraw/zinc/75/43/49/851754349.db2.gz PSAMEZQSIBPBJW-UHFFFAOYSA-N 1 1 414.347 4.190 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518037 852164377 /nfs/dbraw/zinc/16/43/77/852164377.db2.gz RSPOVKCNTJOSIC-HSZRJFAPSA-N 1 1 407.558 4.305 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000065959359 852331852 /nfs/dbraw/zinc/33/18/52/852331852.db2.gz UQYGPGXFRUXHLI-HSZRJFAPSA-N 1 1 408.542 4.098 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000065959359 852331862 /nfs/dbraw/zinc/33/18/62/852331862.db2.gz UQYGPGXFRUXHLI-HSZRJFAPSA-N 1 1 408.542 4.098 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000065951604 852332728 /nfs/dbraw/zinc/33/27/28/852332728.db2.gz JVADRFWJTHVPBM-HSZRJFAPSA-N 1 1 420.557 4.104 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000106259959 852765722 /nfs/dbraw/zinc/76/57/22/852765722.db2.gz WCKTXRRTVKZUBB-MOPGFXCFSA-N 1 1 402.498 4.343 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)CCC2 ZINC000164574015 853649175 /nfs/dbraw/zinc/64/91/75/853649175.db2.gz YBEHTDHQNCHHIF-QHCPKHFHSA-N 1 1 416.550 4.344 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3cccc3[C@@H]1c1ccccc1)CCC2 ZINC000164574015 853649176 /nfs/dbraw/zinc/64/91/76/853649176.db2.gz YBEHTDHQNCHHIF-QHCPKHFHSA-N 1 1 416.550 4.344 20 30 HIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000216167049 853846211 /nfs/dbraw/zinc/84/62/11/853846211.db2.gz IWJRIAUXROJIKB-LLVKDONJSA-N 1 1 404.146 4.437 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1Cl ZINC000236669940 853909625 /nfs/dbraw/zinc/90/96/25/853909625.db2.gz YKCUEJRRCGAVES-UHFFFAOYSA-N 1 1 422.978 4.271 20 30 HIEDMO CCc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236981744 853946644 /nfs/dbraw/zinc/94/66/44/853946644.db2.gz ZONGANPNTFRKFP-DEOSSOPVSA-N 1 1 404.535 4.403 20 30 HIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000237190282 853978764 /nfs/dbraw/zinc/97/87/64/853978764.db2.gz LLEWJGKCKBBDAN-UHFFFAOYSA-N 1 1 422.319 4.330 20 30 HIEDMO C=CCc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)cc(OC)c1O ZINC000237300993 854001695 /nfs/dbraw/zinc/00/16/95/854001695.db2.gz DZSAIVRZZWYYID-UHFFFAOYSA-N 1 1 422.319 4.199 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237494428 854045198 /nfs/dbraw/zinc/04/51/98/854045198.db2.gz SSRQHPLOMBRISV-IBGZPJMESA-N 1 1 410.537 4.111 20 30 HIEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237643561 854066850 /nfs/dbraw/zinc/06/68/50/854066850.db2.gz BBGFQKKOTWRISJ-XMMPIXPASA-N 1 1 404.535 4.458 20 30 HIEDMO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261396546 854247317 /nfs/dbraw/zinc/24/73/17/854247317.db2.gz SMHBMKNAZIVPAH-LAUBAEHRSA-N 1 1 410.949 4.308 20 30 HIEDMO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4ccc(Br)cc34)CC2)nc1 ZINC000301163821 854316941 /nfs/dbraw/zinc/31/69/41/854316941.db2.gz TYESWXKVKPPZBD-UHFFFAOYSA-N 1 1 408.303 4.345 20 30 HIEDMO C[C@@H]1C[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000301529805 854413991 /nfs/dbraw/zinc/41/39/91/854413991.db2.gz JGMQDPPZPVHLRT-VQIMIIECSA-N 1 1 401.470 4.480 20 30 HIEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1[N+](=O)[O-] ZINC000301660790 854439318 /nfs/dbraw/zinc/43/93/18/854439318.db2.gz UHRDEESOTKWUKD-UHFFFAOYSA-N 1 1 423.473 4.051 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781313 854464881 /nfs/dbraw/zinc/46/48/81/854464881.db2.gz JHYATTVPTACXOC-DNVCBOLYSA-N 1 1 417.479 4.412 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781313 854464888 /nfs/dbraw/zinc/46/48/88/854464888.db2.gz JHYATTVPTACXOC-DNVCBOLYSA-N 1 1 417.479 4.412 20 30 HIEDMO C[N@H+]1CCCC[C@H]1CCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000302906508 854674490 /nfs/dbraw/zinc/67/44/90/854674490.db2.gz BDZURMMPQIDBBU-SFHVURJKSA-N 1 1 404.539 4.224 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1csc(Br)c1 ZINC000303068745 854746340 /nfs/dbraw/zinc/74/63/40/854746340.db2.gz ZMOWPTAXUWCLRY-UHFFFAOYSA-N 1 1 424.389 4.393 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000303299519 854859170 /nfs/dbraw/zinc/85/91/70/854859170.db2.gz CKFFCAPQZVFOOS-GOSISDBHSA-N 1 1 424.570 4.092 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000303425344 854926941 /nfs/dbraw/zinc/92/69/41/854926941.db2.gz YXHWZORHAQPOHL-IBGZPJMESA-N 1 1 416.525 4.362 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000303425344 854926948 /nfs/dbraw/zinc/92/69/48/854926948.db2.gz YXHWZORHAQPOHL-IBGZPJMESA-N 1 1 416.525 4.362 20 30 HIEDMO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303453130 854952212 /nfs/dbraw/zinc/95/22/12/854952212.db2.gz DEDNORIYUSOMNV-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303453130 854952218 /nfs/dbraw/zinc/95/22/18/854952218.db2.gz DEDNORIYUSOMNV-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303479568 854973987 /nfs/dbraw/zinc/97/39/87/854973987.db2.gz OHMBVGOGOVKRET-GOSISDBHSA-N 1 1 412.493 4.439 20 30 HIEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303479568 854973993 /nfs/dbraw/zinc/97/39/93/854973993.db2.gz OHMBVGOGOVKRET-GOSISDBHSA-N 1 1 412.493 4.439 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303562772 855041902 /nfs/dbraw/zinc/04/19/02/855041902.db2.gz IHZXRKYGEHAJQX-ACRUOGEOSA-N 1 1 403.636 4.238 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303562774 855042300 /nfs/dbraw/zinc/04/23/00/855042300.db2.gz IHZXRKYGEHAJQX-HKBOAZHASA-N 1 1 403.636 4.238 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000303667002 855118530 /nfs/dbraw/zinc/11/85/30/855118530.db2.gz WMSOWCSQNUMVKJ-GGAORHGYSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303779081 855194063 /nfs/dbraw/zinc/19/40/63/855194063.db2.gz SDPOVJBERWJIEU-UWJYYQICSA-N 1 1 410.949 4.135 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000303929020 855298069 /nfs/dbraw/zinc/29/80/69/855298069.db2.gz WVPCKZCKGPWBEC-QHCPKHFHSA-N 1 1 418.585 4.147 20 30 HIEDMO C[C@@H](NC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1)c1ccccc1 ZINC000304759445 855357656 /nfs/dbraw/zinc/35/76/56/855357656.db2.gz RFZAMSVUFWPVJW-GOSISDBHSA-N 1 1 408.546 4.238 20 30 HIEDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)sc2C1 ZINC000409705434 855612419 /nfs/dbraw/zinc/61/24/19/855612419.db2.gz BCNISUIGGYQLDP-UHFFFAOYSA-N 1 1 404.495 4.437 20 30 HIEDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)sc2C1 ZINC000409705434 855612420 /nfs/dbraw/zinc/61/24/20/855612420.db2.gz BCNISUIGGYQLDP-UHFFFAOYSA-N 1 1 404.495 4.437 20 30 HIEDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000410412165 855982663 /nfs/dbraw/zinc/98/26/63/855982663.db2.gz AQALJLNUSRQYIL-UHFFFAOYSA-N 1 1 404.551 4.413 20 30 HIEDMO N#CC1(CCC[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CCOCC1 ZINC000410422113 855990322 /nfs/dbraw/zinc/99/03/22/855990322.db2.gz VIMSGNKUIHTYQL-UHFFFAOYSA-N 1 1 421.541 4.275 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@@H]3CCOC3)sc2C1 ZINC000426435706 856289189 /nfs/dbraw/zinc/28/91/89/856289189.db2.gz DNHRXPHHMANLGX-HOTGVXAUSA-N 1 1 403.592 4.068 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426670153 856404320 /nfs/dbraw/zinc/40/43/20/856404320.db2.gz CWLMGSDVTZQASV-IEBWSBKVSA-N 1 1 407.424 4.117 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783272 857336745 /nfs/dbraw/zinc/33/67/45/857336745.db2.gz MWTPTOJIYQEQBC-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000428783272 857336754 /nfs/dbraw/zinc/33/67/54/857336754.db2.gz MWTPTOJIYQEQBC-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO CSC[C@H]1CCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429277416 857587780 /nfs/dbraw/zinc/58/77/80/857587780.db2.gz VPQSUCYMPSLIGE-SFHVURJKSA-N 1 1 414.575 4.022 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780532 857883019 /nfs/dbraw/zinc/88/30/19/857883019.db2.gz ATRBQYGTXFYIJP-NHCUHLMSSA-N 1 1 419.573 4.190 20 30 HIEDMO C=CCn1c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114261 858038026 /nfs/dbraw/zinc/03/80/26/858038026.db2.gz BXZZCSPKEVCGCW-IBGZPJMESA-N 1 1 410.543 4.107 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244975 858094035 /nfs/dbraw/zinc/09/40/35/858094035.db2.gz ZFVPYUKVGHGYMU-JXFKEZNVSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244975 858094044 /nfs/dbraw/zinc/09/40/44/858094044.db2.gz ZFVPYUKVGHGYMU-JXFKEZNVSA-N 1 1 419.294 4.037 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719168 858277023 /nfs/dbraw/zinc/27/70/23/858277023.db2.gz YTZUMIGLHZOEMU-FUHWJXTLSA-N 1 1 408.468 4.081 20 30 HIEDMO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826263 858318783 /nfs/dbraw/zinc/31/87/83/858318783.db2.gz VERGXHWIGUZEPF-XMSQKQJNSA-N 1 1 401.514 4.093 20 30 HIEDMO C=CCN1C(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165828 858481871 /nfs/dbraw/zinc/48/18/71/858481871.db2.gz HHAUWKQEGWDOJA-UNMCSNQZSA-N 1 1 423.582 4.022 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275104 859079710 /nfs/dbraw/zinc/07/97/10/859079710.db2.gz ALJGBPDPWNXQAM-SFHVURJKSA-N 1 1 402.420 4.282 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(Cl)s1 ZINC000432969007 859454308 /nfs/dbraw/zinc/45/43/08/859454308.db2.gz BLKLHFALFXXNGQ-UHFFFAOYSA-N 1 1 412.342 4.171 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433244552 859587876 /nfs/dbraw/zinc/58/78/76/859587876.db2.gz GCEXAMXOLIIAEX-UHFFFAOYSA-N 1 1 422.529 4.234 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433244552 859587883 /nfs/dbraw/zinc/58/78/83/859587883.db2.gz GCEXAMXOLIIAEX-UHFFFAOYSA-N 1 1 422.529 4.234 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)c(-c2ccncc2)n1 ZINC000433310751 859632636 /nfs/dbraw/zinc/63/26/36/859632636.db2.gz DOHBIWIDSIDHND-UHFFFAOYSA-N 1 1 408.918 4.412 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c(C#N)c1C ZINC000433310999 859633008 /nfs/dbraw/zinc/63/30/08/859633008.db2.gz KJVDQPIVSMWEON-INIZCTEOSA-N 1 1 416.319 4.034 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c(C#N)c1C ZINC000433310999 859633024 /nfs/dbraw/zinc/63/30/24/859633024.db2.gz KJVDQPIVSMWEON-INIZCTEOSA-N 1 1 416.319 4.034 20 30 HIEDMO C[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329270 859646790 /nfs/dbraw/zinc/64/67/90/859646790.db2.gz GDLPKMXIEANPIN-YKSBVNFPSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329270 859646792 /nfs/dbraw/zinc/64/67/92/859646792.db2.gz GDLPKMXIEANPIN-YKSBVNFPSA-N 1 1 414.557 4.001 20 30 HIEDMO N#CCCn1cc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccncc2)n1 ZINC000433339442 859653682 /nfs/dbraw/zinc/65/36/82/859653682.db2.gz LHXYTVIMKLJMRG-QFIPXVFZSA-N 1 1 415.545 4.338 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433361286 859660008 /nfs/dbraw/zinc/66/00/08/859660008.db2.gz CGYDKQVIEORBLJ-KNKQGSTJSA-N 1 1 413.924 4.361 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c2ccc(F)cc2)cc1 ZINC000433699184 859842438 /nfs/dbraw/zinc/84/24/38/859842438.db2.gz LFRAIMKZUSFQPI-NHCUHLMSSA-N 1 1 421.497 4.252 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(Br)cc1 ZINC000434837501 860514528 /nfs/dbraw/zinc/51/45/28/860514528.db2.gz UIBJKCZZQKUBDV-UHFFFAOYSA-N 1 1 410.319 4.253 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434902016 860547040 /nfs/dbraw/zinc/54/70/40/860547040.db2.gz ACENNKZEIBYGDP-SFHVURJKSA-N 1 1 401.526 4.132 20 30 HIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986017 860586737 /nfs/dbraw/zinc/58/67/37/860586737.db2.gz FASGCMAVBWIQOZ-FDDCHVKYSA-N 1 1 401.514 4.450 20 30 HIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435127713 860653662 /nfs/dbraw/zinc/65/36/62/860653662.db2.gz YEICUUSVEAGRLP-HSZRJFAPSA-N 1 1 400.530 4.262 20 30 HIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435129249 860654375 /nfs/dbraw/zinc/65/43/75/860654375.db2.gz MEQJENICBGZXOJ-IBGZPJMESA-N 1 1 403.530 4.178 20 30 HIEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000435135214 860657348 /nfs/dbraw/zinc/65/73/48/860657348.db2.gz NENVGBVFEGPSDG-UHFFFAOYSA-N 1 1 401.514 4.206 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@H+]1C ZINC000437981696 863347379 /nfs/dbraw/zinc/34/73/79/863347379.db2.gz BBZLLRGINUJWNZ-UZLBHIALSA-N 1 1 410.493 4.223 20 30 HIEDMO O=C(NC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072833 863455866 /nfs/dbraw/zinc/45/58/66/863455866.db2.gz LJFZGODRQGCBPH-LJQANCHMSA-N 1 1 416.443 4.079 20 30 HIEDMO C[C@H](CSCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000438578829 864009799 /nfs/dbraw/zinc/00/97/99/864009799.db2.gz HVLBIUMGJYOBGO-HXUWFJFHSA-N 1 1 407.583 4.162 20 30 HIEDMO C[C@H](CSCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000438578829 864009812 /nfs/dbraw/zinc/00/98/12/864009812.db2.gz HVLBIUMGJYOBGO-HXUWFJFHSA-N 1 1 407.583 4.162 20 30 HIEDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438634222 864064987 /nfs/dbraw/zinc/06/49/87/864064987.db2.gz IEWPYZTYYHWDFW-UHFFFAOYSA-N 1 1 402.420 4.235 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000438634115 864065488 /nfs/dbraw/zinc/06/54/88/864065488.db2.gz POVWUWKWGMQMMF-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000438634115 864065501 /nfs/dbraw/zinc/06/55/01/864065501.db2.gz POVWUWKWGMQMMF-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000438644060 864080532 /nfs/dbraw/zinc/08/05/32/864080532.db2.gz VPOFRMXGQAAJLV-GFCCVEGCSA-N 1 1 408.449 4.207 20 30 HIEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000438644060 864080552 /nfs/dbraw/zinc/08/05/52/864080552.db2.gz VPOFRMXGQAAJLV-GFCCVEGCSA-N 1 1 408.449 4.207 20 30 HIEDMO Cc1cccc2nc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n12 ZINC000438730365 864214064 /nfs/dbraw/zinc/21/40/64/864214064.db2.gz IDPZAAARZIKUFI-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO Cc1cccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n12 ZINC000438730365 864214091 /nfs/dbraw/zinc/21/40/91/864214091.db2.gz IDPZAAARZIKUFI-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011226 864463761 /nfs/dbraw/zinc/46/37/61/864463761.db2.gz YRBVLUZSUINULH-GOSISDBHSA-N 1 1 411.575 4.271 20 30 HIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011226 864463765 /nfs/dbraw/zinc/46/37/65/864463765.db2.gz YRBVLUZSUINULH-GOSISDBHSA-N 1 1 411.575 4.271 20 30 HIEDMO N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)s2)cc1 ZINC000439936168 865235767 /nfs/dbraw/zinc/23/57/67/865235767.db2.gz WFQUMYGAMLSSNW-KRWDZBQOSA-N 1 1 413.572 4.048 20 30 HIEDMO N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)s2)cc1 ZINC000439936168 865235785 /nfs/dbraw/zinc/23/57/85/865235785.db2.gz WFQUMYGAMLSSNW-KRWDZBQOSA-N 1 1 413.572 4.048 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000439990238 865299156 /nfs/dbraw/zinc/29/91/56/865299156.db2.gz UBWDNLCMDQVCJN-VFNZAUBDSA-N 1 1 424.589 4.071 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441033237 866096250 /nfs/dbraw/zinc/09/62/50/866096250.db2.gz MNRPHALVWLIFIR-WWMYMODYSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441033237 866096269 /nfs/dbraw/zinc/09/62/69/866096269.db2.gz MNRPHALVWLIFIR-WWMYMODYSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441037629 866101252 /nfs/dbraw/zinc/10/12/52/866101252.db2.gz UHIXZZHQHAGHOP-CBGDNZLLSA-N 1 1 409.555 4.201 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441037629 866101297 /nfs/dbraw/zinc/10/12/97/866101297.db2.gz UHIXZZHQHAGHOP-CBGDNZLLSA-N 1 1 409.555 4.201 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056528 866135470 /nfs/dbraw/zinc/13/54/70/866135470.db2.gz BXAWWARYTDQRSK-AWEZNQCLSA-N 1 1 408.449 4.242 20 30 HIEDMO CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000441061235 866141192 /nfs/dbraw/zinc/14/11/92/866141192.db2.gz JDACVMMFLDSXAC-UHFFFAOYSA-N 1 1 409.555 4.284 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](CCCO)Cc2cccc(Cl)c2)c2ccccc21 ZINC000441085614 866180761 /nfs/dbraw/zinc/18/07/61/866180761.db2.gz MRBGSMYUHBTMLA-UHFFFAOYSA-N 1 1 409.917 4.276 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCCO)Cc2cccc(Cl)c2)c2ccccc21 ZINC000441085614 866180771 /nfs/dbraw/zinc/18/07/71/866180771.db2.gz MRBGSMYUHBTMLA-UHFFFAOYSA-N 1 1 409.917 4.276 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441232481 866307450 /nfs/dbraw/zinc/30/74/50/866307450.db2.gz SSIARSWWBPOOSM-VQTJNVASSA-N 1 1 412.578 4.169 20 30 HIEDMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260963 866335114 /nfs/dbraw/zinc/33/51/14/866335114.db2.gz OKNQFCJRLWMXRL-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441260963 866335120 /nfs/dbraw/zinc/33/51/20/866335120.db2.gz OKNQFCJRLWMXRL-QRWLVFNGSA-N 1 1 422.472 4.434 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316234 866387385 /nfs/dbraw/zinc/38/73/85/866387385.db2.gz FBPZLSPJUBXXDR-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316234 866387397 /nfs/dbraw/zinc/38/73/97/866387397.db2.gz FBPZLSPJUBXXDR-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000442197730 867219432 /nfs/dbraw/zinc/21/94/32/867219432.db2.gz XNFOVLNJOWNUGJ-KGLIPLIRSA-N 1 1 410.440 4.231 20 30 HIEDMO C=CCC[C@@H](NC(=O)N1CC[NH+](CCOCC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442287669 867309251 /nfs/dbraw/zinc/30/92/51/867309251.db2.gz BOVOFCOMMWJSRJ-LJQANCHMSA-N 1 1 413.484 4.076 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456262 868044937 /nfs/dbraw/zinc/04/49/37/868044937.db2.gz SXWRDVSZHPPSDV-DHIUTWEWSA-N 1 1 413.949 4.472 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 ZINC000444192548 868658743 /nfs/dbraw/zinc/65/87/43/868658743.db2.gz GEYXMTVVXPMMCL-OXQOHEQNSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 ZINC000444192548 868658752 /nfs/dbraw/zinc/65/87/52/868658752.db2.gz GEYXMTVVXPMMCL-OXQOHEQNSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444235192 868684344 /nfs/dbraw/zinc/68/43/44/868684344.db2.gz FAFRHHSNNALGBQ-JOCHJYFZSA-N 1 1 408.546 4.086 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444235192 868684352 /nfs/dbraw/zinc/68/43/52/868684352.db2.gz FAFRHHSNNALGBQ-JOCHJYFZSA-N 1 1 408.546 4.086 20 30 HIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248079 868694748 /nfs/dbraw/zinc/69/47/48/868694748.db2.gz VWEVALJHIUZIOS-GOTSBHOMSA-N 1 1 413.525 4.259 20 30 HIEDMO N#CC(CC[N@H+]1CCCC[C@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000444649138 868931452 /nfs/dbraw/zinc/93/14/52/868931452.db2.gz IRVNHURRCKETOD-VWLOTQADSA-N 1 1 403.570 4.073 20 30 HIEDMO CS(=O)(=O)C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000444673259 868950605 /nfs/dbraw/zinc/95/06/05/868950605.db2.gz HNCBRXBPCMNZCK-XMMPIXPASA-N 1 1 418.562 4.262 20 30 HIEDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000444705258 868966547 /nfs/dbraw/zinc/96/65/47/868966547.db2.gz MGXAJZIWEWADRZ-UHFFFAOYSA-N 1 1 400.320 4.136 20 30 HIEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000444705258 868966555 /nfs/dbraw/zinc/96/65/55/868966555.db2.gz MGXAJZIWEWADRZ-UHFFFAOYSA-N 1 1 400.320 4.136 20 30 HIEDMO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765811 868992127 /nfs/dbraw/zinc/99/21/27/868992127.db2.gz KFHDELZMYYWPJH-UHFFFAOYSA-N 1 1 410.949 4.369 20 30 HIEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c2ccccc21 ZINC000444782809 869001474 /nfs/dbraw/zinc/00/14/74/869001474.db2.gz RDCUQAHTBJNNGE-UHFFFAOYSA-N 1 1 415.537 4.055 20 30 HIEDMO C=CC[C@H]1N(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCC1(C)C ZINC000445091965 869211802 /nfs/dbraw/zinc/21/18/02/869211802.db2.gz LNWUXOZFACTFSC-HXUWFJFHSA-N 1 1 402.583 4.280 20 30 HIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448252271 872170359 /nfs/dbraw/zinc/17/03/59/872170359.db2.gz NMERSASHWVZUHJ-UHFFFAOYSA-N 1 1 414.509 4.487 20 30 HIEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468568223 882628623 /nfs/dbraw/zinc/62/86/23/882628623.db2.gz BVQJJEOJRLSMSS-CHWSQXEVSA-N 1 1 422.476 4.436 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460283806 872872000 /nfs/dbraw/zinc/87/20/00/872872000.db2.gz OJSALGRXNBKIAK-WMZHIEFXSA-N 1 1 414.557 4.326 20 30 HIEDMO CCc1ccc(-c2nnc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2CC)cc1 ZINC000460309278 872896277 /nfs/dbraw/zinc/89/62/77/872896277.db2.gz JHMGGCQYQZJZDF-UHFFFAOYSA-N 1 1 414.557 4.111 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460373815 873009943 /nfs/dbraw/zinc/00/99/43/873009943.db2.gz UNUKOFZXXXTYNF-YPIGPJMWSA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460373673 873010035 /nfs/dbraw/zinc/01/00/35/873010035.db2.gz IEESOESAKPMXGX-UHFFFAOYSA-N 1 1 417.561 4.141 20 30 HIEDMO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460555651 873273827 /nfs/dbraw/zinc/27/38/27/873273827.db2.gz GCIIBEZPKPZOAM-UHFFFAOYSA-N 1 1 406.578 4.027 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460558941 873284502 /nfs/dbraw/zinc/28/45/02/873284502.db2.gz QLLDVHCLCXFTKY-FYQPLNBISA-N 1 1 403.615 4.082 20 30 HIEDMO C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[N@H+](CC)CC1 ZINC000460800721 873673502 /nfs/dbraw/zinc/67/35/02/873673502.db2.gz FRCBPPNMTDKPSZ-UHFFFAOYSA-N 1 1 422.602 4.485 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460936514 873837498 /nfs/dbraw/zinc/83/74/98/873837498.db2.gz ZBTLKKYNACDFLJ-FQEVSTJZSA-N 1 1 402.546 4.017 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460947155 873845842 /nfs/dbraw/zinc/84/58/42/873845842.db2.gz FDSRLSIBTSABBN-KRWDZBQOSA-N 1 1 403.958 4.180 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460953659 873851638 /nfs/dbraw/zinc/85/16/38/873851638.db2.gz ATPBXYFXDDGHSR-LGKPFJOYSA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460960974 873857336 /nfs/dbraw/zinc/85/73/36/873857336.db2.gz RZHAYXMLWIRHHO-IFMALSPDSA-N 1 1 416.573 4.406 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461482030 874541740 /nfs/dbraw/zinc/54/17/40/874541740.db2.gz BPRKXYRURUWFEG-UWJYYQICSA-N 1 1 420.586 4.093 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461492675 874560671 /nfs/dbraw/zinc/56/06/71/874560671.db2.gz YUODDBGORNPCFV-XLIONFOSSA-N 1 1 420.586 4.236 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940491 875073202 /nfs/dbraw/zinc/07/32/02/875073202.db2.gz KCNWYDGVMJUJJB-DQEVTTJGSA-N 1 1 406.933 4.384 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940491 875073229 /nfs/dbraw/zinc/07/32/29/875073229.db2.gz KCNWYDGVMJUJJB-DQEVTTJGSA-N 1 1 406.933 4.384 20 30 HIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000462466554 875574244 /nfs/dbraw/zinc/57/42/44/875574244.db2.gz OVOPEPMJUHEJHL-KRWDZBQOSA-N 1 1 416.978 4.027 20 30 HIEDMO N#Cc1cccc(C2(NC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000462739217 875809971 /nfs/dbraw/zinc/80/99/71/875809971.db2.gz NPMILQXKIQMOQA-JOCHJYFZSA-N 1 1 402.542 4.149 20 30 HIEDMO N#Cc1ccccc1COc1cccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000462852620 875887126 /nfs/dbraw/zinc/88/71/26/875887126.db2.gz GXAJNHQCGRLZHS-RUZDIDTESA-N 1 1 413.521 4.316 20 30 HIEDMO OC[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870070 875898951 /nfs/dbraw/zinc/89/89/51/875898951.db2.gz YSQOLASWKMIVEW-DGCLKSJQSA-N 1 1 407.301 4.008 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035997 876059002 /nfs/dbraw/zinc/05/90/02/876059002.db2.gz RPFYXPQVBQRTQK-RUZDIDTESA-N 1 1 408.542 4.195 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463073008 876104258 /nfs/dbraw/zinc/10/42/58/876104258.db2.gz SSHNWZLCFKCUOP-UHFFFAOYSA-N 1 1 411.303 4.174 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463073008 876104269 /nfs/dbraw/zinc/10/42/69/876104269.db2.gz SSHNWZLCFKCUOP-UHFFFAOYSA-N 1 1 411.303 4.174 20 30 HIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203728 876265015 /nfs/dbraw/zinc/26/50/15/876265015.db2.gz QKFYPERLRLLBCP-YCZSINBZSA-N 1 1 417.981 4.238 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210638 876270223 /nfs/dbraw/zinc/27/02/23/876270223.db2.gz OIKSLFBBGSDDDH-FCEUIQTBSA-N 1 1 417.981 4.301 20 30 HIEDMO FC(F)C(F)(F)COCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000469000092 883065137 /nfs/dbraw/zinc/06/51/37/883065137.db2.gz QCGAEUPLFZIBEH-UHFFFAOYSA-N 1 1 416.381 4.130 20 30 HIEDMO FC(F)C(F)(F)COCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000469000092 883065154 /nfs/dbraw/zinc/06/51/54/883065154.db2.gz QCGAEUPLFZIBEH-UHFFFAOYSA-N 1 1 416.381 4.130 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463771885 876892662 /nfs/dbraw/zinc/89/26/62/876892662.db2.gz WRWZXZMLFJQAFF-SEJPIABJSA-N 1 1 406.526 4.185 20 30 HIEDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@H+]1Cc1ccccc1 ZINC000469018870 883085938 /nfs/dbraw/zinc/08/59/38/883085938.db2.gz OAXGOLKZQCWNAJ-WIYYLYMNSA-N 1 1 414.509 4.244 20 30 HIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3ccccc3SCCC#N)cc2)c1C ZINC000463991436 877125863 /nfs/dbraw/zinc/12/58/63/877125863.db2.gz CCPPRNBVZILJGG-UHFFFAOYSA-N 1 1 419.510 4.072 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000464359559 877554176 /nfs/dbraw/zinc/55/41/76/877554176.db2.gz XULGOLLQIQDPCU-QHCPKHFHSA-N 1 1 403.526 4.132 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000503292474 912276009 /nfs/dbraw/zinc/27/60/09/912276009.db2.gz SRVSQRUWLIYIMB-OAQYLSRUSA-N 1 1 406.530 4.185 20 30 HIEDMO CC#CCCCC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000464655095 877876624 /nfs/dbraw/zinc/87/66/24/877876624.db2.gz DNXQPBPFKFFIQW-UHFFFAOYSA-N 1 1 406.526 4.394 20 30 HIEDMO CC#CCCCC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000464655095 877876626 /nfs/dbraw/zinc/87/66/26/877876626.db2.gz DNXQPBPFKFFIQW-UHFFFAOYSA-N 1 1 406.526 4.394 20 30 HIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000464746845 877980101 /nfs/dbraw/zinc/98/01/01/877980101.db2.gz HBNDDEPLVZYTJV-BGYRXZFFSA-N 1 1 421.541 4.278 20 30 HIEDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000464859884 878141482 /nfs/dbraw/zinc/14/14/82/878141482.db2.gz PJFSCSHZZGCXIP-UHFFFAOYSA-N 1 1 403.555 4.351 20 30 HIEDMO C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000464895323 878198900 /nfs/dbraw/zinc/19/89/00/878198900.db2.gz QUDGDQHNJBZYRC-OAQYLSRUSA-N 1 1 405.542 4.230 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000503369420 912349365 /nfs/dbraw/zinc/34/93/65/912349365.db2.gz GXCGQQDDXVEEFH-GOSISDBHSA-N 1 1 408.502 4.213 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000465246732 878668975 /nfs/dbraw/zinc/66/89/75/878668975.db2.gz OYHBWBIWLBXSEV-IBGZPJMESA-N 1 1 422.529 4.459 20 30 HIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465535829 878996246 /nfs/dbraw/zinc/99/62/46/878996246.db2.gz ZNDFWDDCNZYFQH-HDICACEKSA-N 1 1 408.521 4.175 20 30 HIEDMO C[N@@H+](Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000465730568 879310765 /nfs/dbraw/zinc/31/07/65/879310765.db2.gz UBIURNDCAROVIN-UHFFFAOYSA-N 1 1 408.521 4.461 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000465803621 879415581 /nfs/dbraw/zinc/41/55/81/879415581.db2.gz BQHWDMGCSQLMDF-PTUXOGIPSA-N 1 1 422.598 4.441 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466106442 879821689 /nfs/dbraw/zinc/82/16/89/879821689.db2.gz RZTPAAINTRHKJP-RBBKRZOGSA-N 1 1 408.571 4.400 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000466163023 879865499 /nfs/dbraw/zinc/86/54/99/879865499.db2.gz GORJHCMQECMCOH-AYHJJNSGSA-N 1 1 424.358 4.301 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1Cc1ccccc1 ZINC000467043888 880838798 /nfs/dbraw/zinc/83/87/98/880838798.db2.gz HFAQZTSHCNSGIY-RXVVDRJESA-N 1 1 415.493 4.123 20 30 HIEDMO CC[C@@H](CO)[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000467198096 880927531 /nfs/dbraw/zinc/92/75/31/880927531.db2.gz WXHZCPOWSGCOLF-NRFANRHFSA-N 1 1 422.573 4.303 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000469122457 883216430 /nfs/dbraw/zinc/21/64/30/883216430.db2.gz YXSRHRBXLQGNDJ-ZDUSSCGKSA-N 1 1 402.951 4.080 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000470551401 884962525 /nfs/dbraw/zinc/96/25/25/884962525.db2.gz AMHIYUZWCSHQOZ-UHFFFAOYSA-N 1 1 415.324 4.328 20 30 HIEDMO C=CCc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658313 885082671 /nfs/dbraw/zinc/08/26/71/885082671.db2.gz QKFCAJHKEJITEM-QFIPXVFZSA-N 1 1 408.542 4.169 20 30 HIEDMO CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470720762 885166702 /nfs/dbraw/zinc/16/67/02/885166702.db2.gz ZBMJYZHKGUOTLF-HSZRJFAPSA-N 1 1 422.598 4.097 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470943970 885442419 /nfs/dbraw/zinc/44/24/19/885442419.db2.gz FUHRXKVFEXUZGI-QAPCUYQASA-N 1 1 422.451 4.219 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000471022486 885530355 /nfs/dbraw/zinc/53/03/55/885530355.db2.gz ODGJXGNKRISJAE-AUSIDOKSSA-N 1 1 404.514 4.066 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000471022486 885530382 /nfs/dbraw/zinc/53/03/82/885530382.db2.gz ODGJXGNKRISJAE-AUSIDOKSSA-N 1 1 404.514 4.066 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000504108849 913019349 /nfs/dbraw/zinc/01/93/49/913019349.db2.gz MYWHCSGHSDAEPJ-QFIPXVFZSA-N 1 1 401.599 4.349 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471983964 886811959 /nfs/dbraw/zinc/81/19/59/886811959.db2.gz DQHYEVMYEHWEFW-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471983964 886811962 /nfs/dbraw/zinc/81/19/62/886811962.db2.gz DQHYEVMYEHWEFW-UXHICEINSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000472435822 887284275 /nfs/dbraw/zinc/28/42/75/887284275.db2.gz GPTUFADJJIWKTA-UHFFFAOYSA-N 1 1 405.542 4.353 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000472515355 887384702 /nfs/dbraw/zinc/38/47/02/887384702.db2.gz JXDXYJODLNDOMW-HROJSSOGSA-N 1 1 407.583 4.064 20 30 HIEDMO N#CC(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)(c1ccccc1)c1ccccc1 ZINC000472607949 887478460 /nfs/dbraw/zinc/47/84/60/887478460.db2.gz XYGQUXGTANSNDQ-DEOSSOPVSA-N 1 1 413.521 4.260 20 30 HIEDMO N#CC(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)(c1ccccc1)c1ccccc1 ZINC000472607949 887478465 /nfs/dbraw/zinc/47/84/65/887478465.db2.gz XYGQUXGTANSNDQ-DEOSSOPVSA-N 1 1 413.521 4.260 20 30 HIEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829489 888663577 /nfs/dbraw/zinc/66/35/77/888663577.db2.gz NPKOEXZUQIAPHH-HFSMHLIXSA-N 1 1 412.496 4.433 20 30 HIEDMO C=CCOc1ccc(C[N@@H+](Cc2csc(CC(=O)N(C)C)n2)C(C)(C)C)cc1 ZINC000474160766 888999222 /nfs/dbraw/zinc/99/92/22/888999222.db2.gz UZUDYSCRPGCLAI-UHFFFAOYSA-N 1 1 401.576 4.139 20 30 HIEDMO C=CCOc1ccc(C[N@H+](Cc2csc(CC(=O)N(C)C)n2)C(C)(C)C)cc1 ZINC000474160766 888999231 /nfs/dbraw/zinc/99/92/31/888999231.db2.gz UZUDYSCRPGCLAI-UHFFFAOYSA-N 1 1 401.576 4.139 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474240979 889087665 /nfs/dbraw/zinc/08/76/65/889087665.db2.gz SQNZSOBYVVYSAM-UHFFFAOYSA-N 1 1 409.555 4.048 20 30 HIEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000504590451 913349869 /nfs/dbraw/zinc/34/98/69/913349869.db2.gz QWIPNOXBIYXQPB-FQEVSTJZSA-N 1 1 415.541 4.115 20 30 HIEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000504590451 913349879 /nfs/dbraw/zinc/34/98/79/913349879.db2.gz QWIPNOXBIYXQPB-FQEVSTJZSA-N 1 1 415.541 4.115 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474837339 889697149 /nfs/dbraw/zinc/69/71/49/889697149.db2.gz UDQNRFGITBNOPQ-QHCPKHFHSA-N 1 1 421.516 4.243 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474837339 889697153 /nfs/dbraw/zinc/69/71/53/889697153.db2.gz UDQNRFGITBNOPQ-QHCPKHFHSA-N 1 1 421.516 4.243 20 30 HIEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000474913280 889773794 /nfs/dbraw/zinc/77/37/94/889773794.db2.gz XYWABGRKGDIVMH-OALUTQOASA-N 1 1 405.542 4.027 20 30 HIEDMO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312400 890227823 /nfs/dbraw/zinc/22/78/23/890227823.db2.gz XZBAFCRSOVECNV-JOCHJYFZSA-N 1 1 412.493 4.092 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)cc1Cl ZINC000475630511 890570257 /nfs/dbraw/zinc/57/02/57/890570257.db2.gz GFQOSINWXAIJQS-SFHVURJKSA-N 1 1 404.942 4.083 20 30 HIEDMO N#Cc1ccc(-c2nnc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)o2)cc1 ZINC000475736632 890676485 /nfs/dbraw/zinc/67/64/85/890676485.db2.gz XPHHRAHUJGMLQS-RUZDIDTESA-N 1 1 413.525 4.096 20 30 HIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000475779750 890722654 /nfs/dbraw/zinc/72/26/54/890722654.db2.gz IWNPFYULPAXDBA-UHFFFAOYSA-N 1 1 412.453 4.139 20 30 HIEDMO C[N@@H+](CCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476403894 891319566 /nfs/dbraw/zinc/31/95/66/891319566.db2.gz GTYFAYVUPSZUPI-UHFFFAOYSA-N 1 1 420.557 4.070 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476483645 891395270 /nfs/dbraw/zinc/39/52/70/891395270.db2.gz AWSRQQKZHJQYNT-PKTZIBPZSA-N 1 1 405.542 4.293 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000477489108 892486543 /nfs/dbraw/zinc/48/65/43/892486543.db2.gz YPFWSCDACJXLBT-NRFANRHFSA-N 1 1 405.498 4.116 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000477489108 892486567 /nfs/dbraw/zinc/48/65/67/892486567.db2.gz YPFWSCDACJXLBT-NRFANRHFSA-N 1 1 405.498 4.116 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1Cl ZINC000477704230 892818580 /nfs/dbraw/zinc/81/85/80/892818580.db2.gz RJJPNNGMJNOCGH-UHFFFAOYSA-N 1 1 409.917 4.390 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1Cl ZINC000477704230 892818582 /nfs/dbraw/zinc/81/85/82/892818582.db2.gz RJJPNNGMJNOCGH-UHFFFAOYSA-N 1 1 409.917 4.390 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000477992689 893091553 /nfs/dbraw/zinc/09/15/53/893091553.db2.gz MYXVMGYIXJBCSN-PWIZWCRZSA-N 1 1 401.576 4.156 20 30 HIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C12CCC2 ZINC000477992689 893091576 /nfs/dbraw/zinc/09/15/76/893091576.db2.gz MYXVMGYIXJBCSN-PWIZWCRZSA-N 1 1 401.576 4.156 20 30 HIEDMO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000478324476 893555726 /nfs/dbraw/zinc/55/57/26/893555726.db2.gz CYIKMLFAOBNRCV-QILAJZQNSA-N 1 1 411.553 4.244 20 30 HIEDMO Cn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000478324476 893555756 /nfs/dbraw/zinc/55/57/56/893555756.db2.gz CYIKMLFAOBNRCV-QILAJZQNSA-N 1 1 411.553 4.244 20 30 HIEDMO Cn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000478324476 893555772 /nfs/dbraw/zinc/55/57/72/893555772.db2.gz CYIKMLFAOBNRCV-QILAJZQNSA-N 1 1 411.553 4.244 20 30 HIEDMO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000478324476 893555791 /nfs/dbraw/zinc/55/57/91/893555791.db2.gz CYIKMLFAOBNRCV-QILAJZQNSA-N 1 1 411.553 4.244 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000478587725 893862300 /nfs/dbraw/zinc/86/23/00/893862300.db2.gz AMDDWKPFOKUILM-LJQANCHMSA-N 1 1 412.578 4.111 20 30 HIEDMO Cc1ccc(-c2nc(C)c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)s2)o1 ZINC000479280901 894559143 /nfs/dbraw/zinc/55/91/43/894559143.db2.gz JOYNDOGZDXWQBY-UHFFFAOYSA-N 1 1 420.538 4.308 20 30 HIEDMO N#CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479294102 894575397 /nfs/dbraw/zinc/57/53/97/894575397.db2.gz YEPZJIZDYJKBTO-UHFFFAOYSA-N 1 1 420.494 4.098 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2N2CCC[C@H](c3[nH+]ccn3C)C2)c1Br ZINC000479300718 894585798 /nfs/dbraw/zinc/58/57/98/894585798.db2.gz NVQLXJHHTWFFPF-AWEZNQCLSA-N 1 1 410.319 4.295 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000479302000 894587383 /nfs/dbraw/zinc/58/73/83/894587383.db2.gz MLCRHZXXBJZSFA-UHFFFAOYSA-N 1 1 401.514 4.235 20 30 HIEDMO CCc1ccc([C@H]([NH2+]CC#Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000479485799 894808392 /nfs/dbraw/zinc/80/83/92/894808392.db2.gz DHSAOSCZDZCLIG-VWLOTQADSA-N 1 1 403.547 4.383 20 30 HIEDMO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051786 895400613 /nfs/dbraw/zinc/40/06/13/895400613.db2.gz STZGHYHMIDZTDN-HXUWFJFHSA-N 1 1 413.569 4.480 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051786 895400618 /nfs/dbraw/zinc/40/06/18/895400618.db2.gz STZGHYHMIDZTDN-HXUWFJFHSA-N 1 1 413.569 4.480 20 30 HIEDMO COc1cccc(C([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2cccc(OC)c2)c1 ZINC000480332748 895734976 /nfs/dbraw/zinc/73/49/76/895734976.db2.gz HDNZMOSYJKGVMK-UHFFFAOYSA-N 1 1 421.541 4.068 20 30 HIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185373 896530458 /nfs/dbraw/zinc/53/04/58/896530458.db2.gz UWVGAVZGJMKEGG-HOIFWPIMSA-N 1 1 410.949 4.039 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185373 896530473 /nfs/dbraw/zinc/53/04/73/896530473.db2.gz UWVGAVZGJMKEGG-HOIFWPIMSA-N 1 1 410.949 4.039 20 30 HIEDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3Br)ccc2NC1=O ZINC000481302133 896646920 /nfs/dbraw/zinc/64/69/20/896646920.db2.gz SVSBHVWZSOPLDK-KZULUSFZSA-N 1 1 414.303 4.281 20 30 HIEDMO Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481449938 896846099 /nfs/dbraw/zinc/84/60/99/896846099.db2.gz YFIGBJZYBWYLCR-UHFFFAOYSA-N 1 1 415.497 4.262 20 30 HIEDMO Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481449938 896846108 /nfs/dbraw/zinc/84/61/08/896846108.db2.gz YFIGBJZYBWYLCR-UHFFFAOYSA-N 1 1 415.497 4.262 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481579937 896959284 /nfs/dbraw/zinc/95/92/84/896959284.db2.gz RBHPXLCBJMCVNE-FPTDNZKUSA-N 1 1 404.457 4.066 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000481606022 896986285 /nfs/dbraw/zinc/98/62/85/896986285.db2.gz POECAAZJKORPSA-XMMPIXPASA-N 1 1 414.496 4.379 20 30 HIEDMO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481650138 897035097 /nfs/dbraw/zinc/03/50/97/897035097.db2.gz LVPBWJKYOXUJMS-MOPGFXCFSA-N 1 1 405.951 4.334 20 30 HIEDMO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000481792569 897172880 /nfs/dbraw/zinc/17/28/80/897172880.db2.gz FHVSQMAWKDMYNA-INIZCTEOSA-N 1 1 404.470 4.221 20 30 HIEDMO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482134567 897591884 /nfs/dbraw/zinc/59/18/84/897591884.db2.gz GKCMKTORVLYJJF-NRFANRHFSA-N 1 1 411.933 4.104 20 30 HIEDMO CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000482134567 897591893 /nfs/dbraw/zinc/59/18/93/897591893.db2.gz GKCMKTORVLYJJF-NRFANRHFSA-N 1 1 411.933 4.104 20 30 HIEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)C1 ZINC000505523185 914214489 /nfs/dbraw/zinc/21/44/89/914214489.db2.gz ZDKYKGHDLIUKKU-DEOSSOPVSA-N 1 1 405.567 4.408 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482981865 898618967 /nfs/dbraw/zinc/61/89/67/898618967.db2.gz LLMNYYZOSOJLEL-KGLIPLIRSA-N 1 1 408.365 4.160 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483118612 898808065 /nfs/dbraw/zinc/80/80/65/898808065.db2.gz ZMCJOTXGLSMXLD-UHFFFAOYSA-N 1 1 419.916 4.215 20 30 HIEDMO C=CCCc1ccccc1NC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483136218 898817572 /nfs/dbraw/zinc/81/75/72/898817572.db2.gz PQRBOAUBNVXDAP-XMMPIXPASA-N 1 1 418.585 4.229 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 ZINC000483330279 898958233 /nfs/dbraw/zinc/95/82/33/898958233.db2.gz JOFPRGWOSXBLGV-UHFFFAOYSA-N 1 1 413.481 4.408 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483356768 898993332 /nfs/dbraw/zinc/99/33/32/898993332.db2.gz KCWTYNIWAUCLKH-QPPBQGQZSA-N 1 1 418.541 4.394 20 30 HIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624984 899277697 /nfs/dbraw/zinc/27/76/97/899277697.db2.gz OGZPNSFJMVFDCC-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624984 899277716 /nfs/dbraw/zinc/27/77/16/899277716.db2.gz OGZPNSFJMVFDCC-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000484356781 899904212 /nfs/dbraw/zinc/90/42/12/899904212.db2.gz VLCKZVPGKBIWKN-INIZCTEOSA-N 1 1 420.397 4.084 20 30 HIEDMO CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000484356781 899904217 /nfs/dbraw/zinc/90/42/17/899904217.db2.gz VLCKZVPGKBIWKN-INIZCTEOSA-N 1 1 420.397 4.084 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H]1CCSC1 ZINC000484902973 900281663 /nfs/dbraw/zinc/28/16/63/900281663.db2.gz FVAIUHOFRNURGX-GOSISDBHSA-N 1 1 415.946 4.166 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H]1CCSC1 ZINC000484902973 900281673 /nfs/dbraw/zinc/28/16/73/900281673.db2.gz FVAIUHOFRNURGX-GOSISDBHSA-N 1 1 415.946 4.166 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000485233996 900519495 /nfs/dbraw/zinc/51/94/95/900519495.db2.gz XMNRRCHTDDZMDA-UHFFFAOYSA-N 1 1 423.557 4.008 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000485375326 900672199 /nfs/dbraw/zinc/67/21/99/900672199.db2.gz GZVVHIWQTAPYIJ-QHCPKHFHSA-N 1 1 421.570 4.087 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000485375326 900672204 /nfs/dbraw/zinc/67/22/04/900672204.db2.gz GZVVHIWQTAPYIJ-QHCPKHFHSA-N 1 1 421.570 4.087 20 30 HIEDMO N#C[C@@H]1N(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000505832246 914485186 /nfs/dbraw/zinc/48/51/86/914485186.db2.gz KYUBWIIHZZFFBH-AZGAKELHSA-N 1 1 417.553 4.143 20 30 HIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486826320 901879037 /nfs/dbraw/zinc/87/90/37/901879037.db2.gz OVZIVBCUFJGNEB-XMSQKQJNSA-N 1 1 405.889 4.210 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000505930946 914582255 /nfs/dbraw/zinc/58/22/55/914582255.db2.gz USZKKKRPZZDFJW-RBUKOAKNSA-N 1 1 400.563 4.159 20 30 HIEDMO Cc1nc(SCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C#N)c(C)c1C ZINC000505953183 914607530 /nfs/dbraw/zinc/60/75/30/914607530.db2.gz LQRIROLNYBVYTF-OXQOHEQNSA-N 1 1 414.619 4.084 20 30 HIEDMO N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1Br ZINC000487932715 902463255 /nfs/dbraw/zinc/46/32/55/902463255.db2.gz HYTKEJCIGLAPFX-UHFFFAOYSA-N 1 1 413.319 4.061 20 30 HIEDMO CC(C)(C)C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488017301 902537259 /nfs/dbraw/zinc/53/72/59/902537259.db2.gz XYSCLYYMXQMHAC-SFHVURJKSA-N 1 1 410.484 4.143 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509070 902863230 /nfs/dbraw/zinc/86/32/30/902863230.db2.gz UUIVINCBGOAXMQ-YKSBVNFPSA-N 1 1 405.542 4.134 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506036541 914724470 /nfs/dbraw/zinc/72/44/70/914724470.db2.gz NJKZJOKUMFBUFV-HNNXBMFYSA-N 1 1 417.966 4.206 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000489817293 903611664 /nfs/dbraw/zinc/61/16/64/903611664.db2.gz GEXCRYCXTKXVEN-ZBCONREDSA-N 1 1 416.569 4.378 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489850832 903631178 /nfs/dbraw/zinc/63/11/78/903631178.db2.gz VJYPCEWMYOAVTP-YKSBVNFPSA-N 1 1 404.558 4.389 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000506087149 914795767 /nfs/dbraw/zinc/79/57/67/914795767.db2.gz SOHHVSAJHLEFNU-HXUWFJFHSA-N 1 1 408.498 4.486 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+](C)CCCC ZINC000491057168 904400984 /nfs/dbraw/zinc/40/09/84/904400984.db2.gz WAUFRFKUZXXVFH-UHFFFAOYSA-N 1 1 400.336 4.018 20 30 HIEDMO COc1cccc(C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]2CCCO2)c1 ZINC000491109707 904433392 /nfs/dbraw/zinc/43/33/92/904433392.db2.gz AVVJJNYLNXWBCD-DEOSSOPVSA-N 1 1 416.525 4.149 20 30 HIEDMO COc1cccc(C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]2CCCO2)c1 ZINC000491109709 904433782 /nfs/dbraw/zinc/43/37/82/904433782.db2.gz AVVJJNYLNXWBCD-XMMPIXPASA-N 1 1 416.525 4.149 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000491525560 904635616 /nfs/dbraw/zinc/63/56/16/904635616.db2.gz PEHLWVFDJNIDNF-OAQYLSRUSA-N 1 1 406.530 4.032 20 30 HIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000491604774 904671406 /nfs/dbraw/zinc/67/14/06/904671406.db2.gz PGTWXOIKVSMFNP-KRWDZBQOSA-N 1 1 422.330 4.485 20 30 HIEDMO Cn1cc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491942016 904739910 /nfs/dbraw/zinc/73/99/10/904739910.db2.gz RNUHDXQIHWUZSF-UHFFFAOYSA-N 1 1 423.923 4.069 20 30 HIEDMO COCCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC000492772909 904900232 /nfs/dbraw/zinc/90/02/32/904900232.db2.gz OPKWUUYJPIFPBI-AWEZNQCLSA-N 1 1 419.319 4.205 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506244499 914861104 /nfs/dbraw/zinc/86/11/04/914861104.db2.gz CEGKETCRJRAYIC-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506244499 914861105 /nfs/dbraw/zinc/86/11/05/914861105.db2.gz CEGKETCRJRAYIC-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506244499 914861107 /nfs/dbraw/zinc/86/11/07/914861107.db2.gz CEGKETCRJRAYIC-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO C[C@H]1[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000494016062 905354842 /nfs/dbraw/zinc/35/48/42/905354842.db2.gz HNEQHLRTCLVWSY-FDDCHVKYSA-N 1 1 415.493 4.123 20 30 HIEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1c1ccc(Cl)cc1 ZINC000494265377 905590542 /nfs/dbraw/zinc/59/05/42/905590542.db2.gz OUKMWBJKJMFDGQ-IEBWSBKVSA-N 1 1 418.722 4.036 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)ccc1Cl ZINC000494278488 905602249 /nfs/dbraw/zinc/60/22/49/905602249.db2.gz AFVLNHGMPKAUIC-UHFFFAOYSA-N 1 1 412.740 4.496 20 30 HIEDMO Cc1cc(Br)c2c(c1)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000494420971 905708202 /nfs/dbraw/zinc/70/82/02/905708202.db2.gz XAXOZEYMUYNUSQ-UHFFFAOYSA-N 1 1 404.333 4.078 20 30 HIEDMO Cc1cc(Br)c2c(c1)C[N@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000494420971 905708218 /nfs/dbraw/zinc/70/82/18/905708218.db2.gz XAXOZEYMUYNUSQ-UHFFFAOYSA-N 1 1 404.333 4.078 20 30 HIEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000512487970 921195344 /nfs/dbraw/zinc/19/53/44/921195344.db2.gz BVHDFHLXHKDMIG-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000512487970 921195349 /nfs/dbraw/zinc/19/53/49/921195349.db2.gz BVHDFHLXHKDMIG-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632990 921268565 /nfs/dbraw/zinc/26/85/65/921268565.db2.gz KERPUAOZCKDNBV-HXUWFJFHSA-N 1 1 404.514 4.210 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497368356 906857813 /nfs/dbraw/zinc/85/78/13/906857813.db2.gz SRPIUFMREYYLLB-HSZRJFAPSA-N 1 1 410.562 4.281 20 30 HIEDMO O=C(C[N@H+]1CC[C@@H](COC(F)F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000512800659 921314037 /nfs/dbraw/zinc/31/40/37/921314037.db2.gz FWJPBKLZBUUJIN-SECBINFHSA-N 1 1 420.300 4.224 20 30 HIEDMO O=C(C[N@@H+]1CC[C@@H](COC(F)F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000512800659 921314039 /nfs/dbraw/zinc/31/40/39/921314039.db2.gz FWJPBKLZBUUJIN-SECBINFHSA-N 1 1 420.300 4.224 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498013145 907505885 /nfs/dbraw/zinc/50/58/85/907505885.db2.gz DSRQBDOPCBPKRH-UWJYYQICSA-N 1 1 417.575 4.004 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498399503 907881207 /nfs/dbraw/zinc/88/12/07/907881207.db2.gz GGQQQUGWNMNDEP-OFNKIYASSA-N 1 1 420.513 4.065 20 30 HIEDMO N#CC1(CCCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCOCC1 ZINC000499577168 908845425 /nfs/dbraw/zinc/84/54/25/908845425.db2.gz VPBFUUDPVYKICD-UHFFFAOYSA-N 1 1 401.554 4.475 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000513112458 921558566 /nfs/dbraw/zinc/55/85/66/921558566.db2.gz AFJFFGQWZNHMHR-DEOSSOPVSA-N 1 1 411.505 4.142 20 30 HIEDMO COC(=O)C[C@](C)([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1 ZINC000513165339 921594494 /nfs/dbraw/zinc/59/44/94/921594494.db2.gz HXZOBRCQIVFHGD-IBGZPJMESA-N 1 1 405.267 4.028 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000502291698 911248542 /nfs/dbraw/zinc/24/85/42/911248542.db2.gz JKAIBVJEBDZBDY-XMMPIXPASA-N 1 1 400.526 4.022 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310238 911274777 /nfs/dbraw/zinc/27/47/77/911274777.db2.gz COFCEJKSEJGRCK-FQEVSTJZSA-N 1 1 421.545 4.059 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000502327146 911303108 /nfs/dbraw/zinc/30/31/08/911303108.db2.gz SEFCLXSDQYOOKG-QFIPXVFZSA-N 1 1 406.526 4.200 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000502327146 911303131 /nfs/dbraw/zinc/30/31/31/911303131.db2.gz SEFCLXSDQYOOKG-QFIPXVFZSA-N 1 1 406.526 4.200 20 30 HIEDMO COc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000502531269 911535191 /nfs/dbraw/zinc/53/51/91/911535191.db2.gz OYZLWNOTOBBLSP-UHFFFAOYSA-N 1 1 415.396 4.366 20 30 HIEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000502531269 911535207 /nfs/dbraw/zinc/53/52/07/911535207.db2.gz OYZLWNOTOBBLSP-UHFFFAOYSA-N 1 1 415.396 4.366 20 30 HIEDMO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000502532298 911536146 /nfs/dbraw/zinc/53/61/46/911536146.db2.gz YDDCXGALSSGIRJ-INIZCTEOSA-N 1 1 424.342 4.287 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000502532298 911536167 /nfs/dbraw/zinc/53/61/67/911536167.db2.gz YDDCXGALSSGIRJ-INIZCTEOSA-N 1 1 424.342 4.287 20 30 HIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506282390 914881938 /nfs/dbraw/zinc/88/19/38/914881938.db2.gz WCTHRTRFPFMBGC-UHFFFAOYSA-N 1 1 413.569 4.128 20 30 HIEDMO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506282390 914881939 /nfs/dbraw/zinc/88/19/39/914881939.db2.gz WCTHRTRFPFMBGC-UHFFFAOYSA-N 1 1 413.569 4.128 20 30 HIEDMO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506282390 914881940 /nfs/dbraw/zinc/88/19/40/914881940.db2.gz WCTHRTRFPFMBGC-UHFFFAOYSA-N 1 1 413.569 4.128 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000506323358 914926871 /nfs/dbraw/zinc/92/68/71/914926871.db2.gz CXHANVKSRRCESG-QFIPXVFZSA-N 1 1 419.525 4.217 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000506323358 914926890 /nfs/dbraw/zinc/92/68/90/914926890.db2.gz CXHANVKSRRCESG-QFIPXVFZSA-N 1 1 419.525 4.217 20 30 HIEDMO N#Cc1ccccc1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000506358162 914978514 /nfs/dbraw/zinc/97/85/14/914978514.db2.gz USDJLHIFDQTPEH-UHFFFAOYSA-N 1 1 420.520 4.128 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916918 915716339 /nfs/dbraw/zinc/71/63/39/915716339.db2.gz KHDZSNPWDMVMEE-ICSRJNTNSA-N 1 1 421.507 4.353 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507143519 915888333 /nfs/dbraw/zinc/88/83/33/915888333.db2.gz NDPAQVAEZBTMSF-UHFFFAOYSA-N 1 1 419.422 4.039 20 30 HIEDMO C=CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256455 916017890 /nfs/dbraw/zinc/01/78/90/916017890.db2.gz CUWLNBMZENPHQT-RPBOFIJWSA-N 1 1 418.581 4.391 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000507806293 916593601 /nfs/dbraw/zinc/59/36/01/916593601.db2.gz ZCURPIGEASNZPT-QZTJIDSGSA-N 1 1 417.509 4.414 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000508243647 917061551 /nfs/dbraw/zinc/06/15/51/917061551.db2.gz RVKYPEQDBIFMED-RBUKOAKNSA-N 1 1 406.486 4.107 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000508289839 917099966 /nfs/dbraw/zinc/09/99/66/917099966.db2.gz FJFXKNOGHKYDMZ-IBGZPJMESA-N 1 1 420.469 4.377 20 30 HIEDMO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508696619 917458552 /nfs/dbraw/zinc/45/85/52/917458552.db2.gz HQKKGGLGSRKRLK-NZQKXSOJSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508699427 917460786 /nfs/dbraw/zinc/46/07/86/917460786.db2.gz PSQIOMSUGWEIAW-QGZVFWFLSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508733665 917493131 /nfs/dbraw/zinc/49/31/31/917493131.db2.gz NMECFHOLOFZTLE-HTAPYJJXSA-N 1 1 402.546 4.066 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508914868 917672325 /nfs/dbraw/zinc/67/23/25/917672325.db2.gz VGMHYIGKLXGFMK-SFHVURJKSA-N 1 1 403.530 4.042 20 30 HIEDMO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508931001 917689831 /nfs/dbraw/zinc/68/98/31/917689831.db2.gz GINGHLNOXMPXFE-QUCCMNQESA-N 1 1 403.530 4.330 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000509010664 917764214 /nfs/dbraw/zinc/76/42/14/917764214.db2.gz KEDXHBUQKPOBQJ-IBGZPJMESA-N 1 1 423.586 4.126 20 30 HIEDMO CCN(C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000509571878 918221781 /nfs/dbraw/zinc/22/17/81/918221781.db2.gz AEFPYQNMWZDMHE-UFYCRDLUSA-N 1 1 405.542 4.391 20 30 HIEDMO C[C@@H]1C[C@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510195814 918744673 /nfs/dbraw/zinc/74/46/73/918744673.db2.gz VRKYHIFCLJESQO-XXBNENTESA-N 1 1 407.583 4.208 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000510234094 918774805 /nfs/dbraw/zinc/77/48/05/918774805.db2.gz VLYBIRVBXMZMQK-UHFFFAOYSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510396855 918872627 /nfs/dbraw/zinc/87/26/27/918872627.db2.gz MQOANLNHEIVANM-HKUYNNGSSA-N 1 1 419.554 4.316 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510396855 918872635 /nfs/dbraw/zinc/87/26/35/918872635.db2.gz MQOANLNHEIVANM-HKUYNNGSSA-N 1 1 419.554 4.316 20 30 HIEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000510491376 918940882 /nfs/dbraw/zinc/94/08/82/918940882.db2.gz OJJKXIUAYTUZTA-ROUUACIJSA-N 1 1 422.529 4.360 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000510640963 919083197 /nfs/dbraw/zinc/08/31/97/919083197.db2.gz NSTWZYKFPCBEBC-MRXNPFEDSA-N 1 1 420.351 4.136 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCCc3ccccc32)sc2c1CCCC2 ZINC000510695691 919131172 /nfs/dbraw/zinc/13/11/72/919131172.db2.gz DKCJLNZZDQMMPP-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511271846 919868835 /nfs/dbraw/zinc/86/88/35/919868835.db2.gz XGSPPENFJIBRJQ-LSDHHAIUSA-N 1 1 424.467 4.274 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000511322690 919914650 /nfs/dbraw/zinc/91/46/50/919914650.db2.gz RYGXNBSLMMBARL-RTWAWAEBSA-N 1 1 404.514 4.080 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000511391359 919998717 /nfs/dbraw/zinc/99/87/17/919998717.db2.gz OVRUHEFJFFSUMX-IBGZPJMESA-N 1 1 420.557 4.299 20 30 HIEDMO C[C@](CO)([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(Br)cc1 ZINC000511541555 920164977 /nfs/dbraw/zinc/16/49/77/920164977.db2.gz LUNCCEUFDAJBTB-QGZVFWFLSA-N 1 1 424.136 4.081 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000511702853 920366944 /nfs/dbraw/zinc/36/69/44/920366944.db2.gz YFUWEWUQGMYMLV-UHFFFAOYSA-N 1 1 420.315 4.327 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000511755764 920434514 /nfs/dbraw/zinc/43/45/14/920434514.db2.gz SMHDEWBRIONNNN-UHFFFAOYSA-N 1 1 405.477 4.367 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511793309 920488099 /nfs/dbraw/zinc/48/80/99/920488099.db2.gz QBAWHXSEWWMTKC-SDHSZQHLSA-N 1 1 417.553 4.055 20 30 HIEDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019599 920794828 /nfs/dbraw/zinc/79/48/28/920794828.db2.gz IABXTCURSOWTSV-QRWLVFNGSA-N 1 1 416.447 4.212 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000512151962 920893662 /nfs/dbraw/zinc/89/36/62/920893662.db2.gz JPHBLPLSZUFPFD-FDDCHVKYSA-N 1 1 422.573 4.425 20 30 HIEDMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512222055 920971513 /nfs/dbraw/zinc/97/15/13/920971513.db2.gz NXMWHACPBQFDGS-OAQYLSRUSA-N 1 1 419.569 4.492 20 30 HIEDMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512222055 920971520 /nfs/dbraw/zinc/97/15/20/920971520.db2.gz NXMWHACPBQFDGS-OAQYLSRUSA-N 1 1 419.569 4.492 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512262830 921020258 /nfs/dbraw/zinc/02/02/58/921020258.db2.gz RXCQLTSNNBEMCM-LJQANCHMSA-N 1 1 407.562 4.139 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512262830 921020270 /nfs/dbraw/zinc/02/02/70/921020270.db2.gz RXCQLTSNNBEMCM-LJQANCHMSA-N 1 1 407.562 4.139 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512292561 921047716 /nfs/dbraw/zinc/04/77/16/921047716.db2.gz HPSMZWGDZFKPOJ-IBGZPJMESA-N 1 1 408.546 4.177 20 30 HIEDMO N#C[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513977926 922298009 /nfs/dbraw/zinc/29/80/09/922298009.db2.gz BNZJJEKTNCWSOE-SUROQQEJSA-N 1 1 422.326 4.198 20 30 HIEDMO N#C[C@@H]1C[N@H+](CC/C=C/c2ccc(Br)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513977926 922298022 /nfs/dbraw/zinc/29/80/22/922298022.db2.gz BNZJJEKTNCWSOE-SUROQQEJSA-N 1 1 422.326 4.198 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2C)cc1 ZINC000514173833 922510981 /nfs/dbraw/zinc/51/09/81/922510981.db2.gz HRRYNNZUKDCKKA-QHCPKHFHSA-N 1 1 405.542 4.348 20 30 HIEDMO C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000515759548 923333082 /nfs/dbraw/zinc/33/30/82/923333082.db2.gz OKRUHUYIKPGFQW-VAMGGRTRSA-N 1 1 404.558 4.153 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000516451113 923739564 /nfs/dbraw/zinc/73/95/64/923739564.db2.gz ANMOPEIUQKFHBO-FQEVSTJZSA-N 1 1 405.542 4.072 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540117 924253994 /nfs/dbraw/zinc/25/39/94/924253994.db2.gz NTLQHGQJWGWPPC-UTKZUKDTSA-N 1 1 415.459 4.192 20 30 HIEDMO C=CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753742 927478241 /nfs/dbraw/zinc/47/82/41/927478241.db2.gz ZXNRZBLLSKPDOZ-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000518791694 927494952 /nfs/dbraw/zinc/49/49/52/927494952.db2.gz VCZDQXPYHKPADI-IYBDPMFKSA-N 1 1 400.592 4.040 20 30 HIEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849242 927553530 /nfs/dbraw/zinc/55/35/30/927553530.db2.gz VNXRGEGSXQDIBM-YLJYHZDGSA-N 1 1 419.422 4.438 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060490 /nfs/dbraw/zinc/06/04/90/928060490.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 1 1 424.614 4.146 20 30 HIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908179 928141182 /nfs/dbraw/zinc/14/11/82/928141182.db2.gz KOVOXVOXUONFRU-UHFFFAOYSA-N 1 1 420.557 4.137 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000520160343 928353266 /nfs/dbraw/zinc/35/32/66/928353266.db2.gz NKPMMBDORFNINI-UHFFFAOYSA-N 1 1 417.340 4.283 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(F)cc3F)sc2C1 ZINC000520778923 928813118 /nfs/dbraw/zinc/81/31/18/928813118.db2.gz ZOFWDTGBCZNFFB-ZDUSSCGKSA-N 1 1 403.498 4.483 20 30 HIEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938277 928883205 /nfs/dbraw/zinc/88/32/05/928883205.db2.gz RQOXIGQNBLOWSC-HNNXBMFYSA-N 1 1 406.515 4.436 20 30 HIEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520938277 928883206 /nfs/dbraw/zinc/88/32/06/928883206.db2.gz RQOXIGQNBLOWSC-HNNXBMFYSA-N 1 1 406.515 4.436 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810854 929467830 /nfs/dbraw/zinc/46/78/30/929467830.db2.gz HJDYWQNBGXYFFS-MRXNPFEDSA-N 1 1 417.435 4.353 20 30 HIEDMO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+](C)Cc1ccccc1 ZINC000524488425 929635263 /nfs/dbraw/zinc/63/52/63/929635263.db2.gz RTVMBACDKLSOAF-HXUWFJFHSA-N 1 1 413.521 4.388 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399776 930219948 /nfs/dbraw/zinc/21/99/48/930219948.db2.gz BEDPMJBKELWCBE-HXUWFJFHSA-N 1 1 422.598 4.097 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1OC ZINC000530856449 930841530 /nfs/dbraw/zinc/84/15/30/930841530.db2.gz SQXNPGBGHPWJAZ-INIZCTEOSA-N 1 1 410.308 4.401 20 30 HIEDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000531391218 931042114 /nfs/dbraw/zinc/04/21/14/931042114.db2.gz ZQYSUFSIOOSOAA-NFBKMPQASA-N 1 1 407.558 4.378 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000532455331 931442585 /nfs/dbraw/zinc/44/25/85/931442585.db2.gz MUANUTBOPXMCPD-SFHVURJKSA-N 1 1 421.570 4.041 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000532455331 931442592 /nfs/dbraw/zinc/44/25/92/931442592.db2.gz MUANUTBOPXMCPD-SFHVURJKSA-N 1 1 421.570 4.041 20 30 HIEDMO CCC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(C#N)cc1 ZINC000532475810 931453334 /nfs/dbraw/zinc/45/33/34/931453334.db2.gz PGXFFIAPXFVRBY-UHFFFAOYSA-N 1 1 416.525 4.068 20 30 HIEDMO CCC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(C#N)cc1 ZINC000532475810 931453339 /nfs/dbraw/zinc/45/33/39/931453339.db2.gz PGXFFIAPXFVRBY-UHFFFAOYSA-N 1 1 416.525 4.068 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578689 931537711 /nfs/dbraw/zinc/53/77/11/931537711.db2.gz PVZUFPWBVBAMME-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578689 931537714 /nfs/dbraw/zinc/53/77/14/931537714.db2.gz PVZUFPWBVBAMME-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578689 931537719 /nfs/dbraw/zinc/53/77/19/931537719.db2.gz PVZUFPWBVBAMME-GOSISDBHSA-N 1 1 422.598 4.033 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000532578863 931539673 /nfs/dbraw/zinc/53/96/73/931539673.db2.gz NUBMPHGLFVGASR-HXUWFJFHSA-N 1 1 409.555 4.209 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000532578863 931539683 /nfs/dbraw/zinc/53/96/83/931539683.db2.gz NUBMPHGLFVGASR-HXUWFJFHSA-N 1 1 409.555 4.209 20 30 HIEDMO COc1cc(OC)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1Cl ZINC000532933455 931702947 /nfs/dbraw/zinc/70/29/47/931702947.db2.gz NDRBDKHRUCGXGN-UHFFFAOYSA-N 1 1 415.921 4.326 20 30 HIEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000532978254 931724053 /nfs/dbraw/zinc/72/40/53/931724053.db2.gz YWOLCFJIMOXVMS-UHFFFAOYSA-N 1 1 404.146 4.357 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728057 /nfs/dbraw/zinc/72/80/57/931728057.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728082 /nfs/dbraw/zinc/72/80/82/931728082.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 1 1 407.558 4.450 20 30 HIEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728088 /nfs/dbraw/zinc/72/80/88/931728088.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 1 1 407.558 4.450 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013281 931736465 /nfs/dbraw/zinc/73/64/65/931736465.db2.gz IAJNYLBBTIAOPI-FXAWDEMLSA-N 1 1 402.523 4.153 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013281 931736474 /nfs/dbraw/zinc/73/64/74/931736474.db2.gz IAJNYLBBTIAOPI-FXAWDEMLSA-N 1 1 402.523 4.153 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1nccs1 ZINC000533140713 931780971 /nfs/dbraw/zinc/78/09/71/931780971.db2.gz PNHGGDVDRKQQFO-UHFFFAOYSA-N 1 1 402.589 4.238 20 30 HIEDMO COc1ccc(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1OCCCC#N ZINC000533213902 931811510 /nfs/dbraw/zinc/81/15/10/931811510.db2.gz KQYCARLWZLMXTR-IBGZPJMESA-N 1 1 409.530 4.383 20 30 HIEDMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287570 931828421 /nfs/dbraw/zinc/82/84/21/931828421.db2.gz YHBGCAHLSKDZTQ-UHFFFAOYSA-N 1 1 408.546 4.213 20 30 HIEDMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287570 931828424 /nfs/dbraw/zinc/82/84/24/931828424.db2.gz YHBGCAHLSKDZTQ-UHFFFAOYSA-N 1 1 408.546 4.213 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379791 931853565 /nfs/dbraw/zinc/85/35/65/931853565.db2.gz AUIVMYUCVIWBBR-SIKLNZKXSA-N 1 1 422.916 4.179 20 30 HIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000533379791 931853566 /nfs/dbraw/zinc/85/35/66/931853566.db2.gz AUIVMYUCVIWBBR-SIKLNZKXSA-N 1 1 422.916 4.179 20 30 HIEDMO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000533383090 931854195 /nfs/dbraw/zinc/85/41/95/931854195.db2.gz YKLUAWGKUVKFAQ-UHFFFAOYSA-N 1 1 407.543 4.194 20 30 HIEDMO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419510 931862637 /nfs/dbraw/zinc/86/26/37/931862637.db2.gz GIGZSFANCBUXLX-IAGOWNOFSA-N 1 1 403.592 4.497 20 30 HIEDMO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419510 931862638 /nfs/dbraw/zinc/86/26/38/931862638.db2.gz GIGZSFANCBUXLX-IAGOWNOFSA-N 1 1 403.592 4.497 20 30 HIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436168 931868566 /nfs/dbraw/zinc/86/85/66/931868566.db2.gz FKUSQBFTEWRTHR-LLVKDONJSA-N 1 1 404.146 4.437 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533480871 931879890 /nfs/dbraw/zinc/87/98/90/931879890.db2.gz BOACETDXLJQBSS-UHFFFAOYSA-N 1 1 405.889 4.206 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)sc2c1CCCCC2 ZINC000533646248 931942471 /nfs/dbraw/zinc/94/24/71/931942471.db2.gz LPDRNHVJENWWRM-OAQYLSRUSA-N 1 1 423.582 4.100 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754268 932732273 /nfs/dbraw/zinc/73/22/73/932732273.db2.gz DJKDIOGVYFPIGO-JWQCQUIFSA-N 1 1 411.505 4.312 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534970352 932868334 /nfs/dbraw/zinc/86/83/34/932868334.db2.gz AUSVURONVMWCKR-GHTZIAJQSA-N 1 1 414.912 4.185 20 30 HIEDMO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 ZINC000535118760 932935663 /nfs/dbraw/zinc/93/56/63/932935663.db2.gz UMMQTMQIQYHVNO-CYBMUJFWSA-N 1 1 402.589 4.013 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000535572086 933247166 /nfs/dbraw/zinc/24/71/66/933247166.db2.gz PEHAJYVJMOVVAL-FYYLOGMGSA-N 1 1 411.933 4.322 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000535572086 933247170 /nfs/dbraw/zinc/24/71/70/933247170.db2.gz PEHAJYVJMOVVAL-FYYLOGMGSA-N 1 1 411.933 4.322 20 30 HIEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000535652938 933296542 /nfs/dbraw/zinc/29/65/42/933296542.db2.gz PRRJBVRVBVMEJA-UHFFFAOYSA-N 1 1 419.504 4.349 20 30 HIEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c1C#N ZINC000535652938 933296555 /nfs/dbraw/zinc/29/65/55/933296555.db2.gz PRRJBVRVBVMEJA-UHFFFAOYSA-N 1 1 419.504 4.349 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535680684 933333366 /nfs/dbraw/zinc/33/33/66/933333366.db2.gz OVFOTJBZRQKRAA-FOIQADDNSA-N 1 1 416.884 4.174 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000537615544 938333815 /nfs/dbraw/zinc/33/38/15/938333815.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000537615544 938333818 /nfs/dbraw/zinc/33/38/18/938333818.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000537615544 938333823 /nfs/dbraw/zinc/33/38/23/938333823.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000537615544 938333828 /nfs/dbraw/zinc/33/38/28/938333828.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3csc([C@H](C)OCC)n3)CC2)c1 ZINC000537621741 938336921 /nfs/dbraw/zinc/33/69/21/938336921.db2.gz CQIRWRVTQXDPSH-SFHVURJKSA-N 1 1 401.576 4.123 20 30 HIEDMO C[C@@H]1CN(Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@@H](C)O1 ZINC000538591102 938657130 /nfs/dbraw/zinc/65/71/30/938657130.db2.gz XPAFBPPADITUQP-NHCUHLMSSA-N 1 1 418.585 4.244 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(F)cc2)c1 ZINC000538605222 938659859 /nfs/dbraw/zinc/65/98/59/938659859.db2.gz POASKOSMFITTGS-HXUWFJFHSA-N 1 1 400.500 4.042 20 30 HIEDMO C=CCOc1ccccc1C[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000538812891 938719336 /nfs/dbraw/zinc/71/93/36/938719336.db2.gz NLUBNYDNJBMWFV-GOSISDBHSA-N 1 1 401.576 4.123 20 30 HIEDMO C=CCC[C@@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000539329162 938842636 /nfs/dbraw/zinc/84/26/36/938842636.db2.gz AACLLQAJVDIJCM-OAHLLOKOSA-N 1 1 408.449 4.275 20 30 HIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540367725 939212708 /nfs/dbraw/zinc/21/27/08/939212708.db2.gz HFERRYIMFCRVOK-OAHLLOKOSA-N 1 1 403.885 4.394 20 30 HIEDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000540425573 939244216 /nfs/dbraw/zinc/24/42/16/939244216.db2.gz WVRMCIHRUWSWBI-OAQYLSRUSA-N 1 1 423.467 4.338 20 30 HIEDMO CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000542420017 939818530 /nfs/dbraw/zinc/81/85/30/939818530.db2.gz YPJDQTHAAAWQBQ-HSZRJFAPSA-N 1 1 402.542 4.069 20 30 HIEDMO C[NH+](C)[C@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000542459909 939826342 /nfs/dbraw/zinc/82/63/42/939826342.db2.gz QFGHWGKCQGOAMV-IRXDYDNUSA-N 1 1 411.811 4.222 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529813 939838100 /nfs/dbraw/zinc/83/81/00/939838100.db2.gz UEIHPWCDWZZWQL-QRVBRYPASA-N 1 1 414.619 4.119 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529814 939838132 /nfs/dbraw/zinc/83/81/32/939838132.db2.gz UEIHPWCDWZZWQL-QYZOEREBSA-N 1 1 414.619 4.119 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1ccc(C)o1 ZINC000542577100 939845681 /nfs/dbraw/zinc/84/56/81/939845681.db2.gz BAQMCTWPDLZIQL-NRFANRHFSA-N 1 1 420.513 4.173 20 30 HIEDMO C[NH+](C)[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000543389472 940048697 /nfs/dbraw/zinc/04/86/97/940048697.db2.gz TVEYBVJWUIPUDH-SJORKVTESA-N 1 1 406.711 4.086 20 30 HIEDMO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870411 940218356 /nfs/dbraw/zinc/21/83/56/940218356.db2.gz XKYOVNVQOBZYCB-INIZCTEOSA-N 1 1 404.539 4.163 20 30 HIEDMO C=CCSCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544112345 940329627 /nfs/dbraw/zinc/32/96/27/940329627.db2.gz BILIIJYQBPFZNK-UHFFFAOYSA-N 1 1 402.391 4.176 20 30 HIEDMO N#CCCCOc1cccnc1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544228034 940360566 /nfs/dbraw/zinc/36/05/66/940360566.db2.gz TVTVQWWSKJQSRZ-SFHVURJKSA-N 1 1 407.518 4.209 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)s1 ZINC000544425424 940424527 /nfs/dbraw/zinc/42/45/27/940424527.db2.gz SQUCXHWEVCDRFU-GOSISDBHSA-N 1 1 400.573 4.333 20 30 HIEDMO N#Cc1ccc2ncc(C[NH+]3CCC(Oc4cccc(Br)c4)CC3)n2c1 ZINC000544942363 940526686 /nfs/dbraw/zinc/52/66/86/940526686.db2.gz POJFRXNTWRJODO-UHFFFAOYSA-N 1 1 411.303 4.012 20 30 HIEDMO N#CC1(c2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)CCC1 ZINC000545668648 940579738 /nfs/dbraw/zinc/57/97/38/940579738.db2.gz DYFKFMKCESYZRT-UHFFFAOYSA-N 1 1 400.482 4.181 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCOC(C)(C)C1 ZINC000564007885 945347859 /nfs/dbraw/zinc/34/78/59/945347859.db2.gz QWWMUCWRWPVVLQ-MRXNPFEDSA-N 1 1 403.592 4.497 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCCC1 ZINC000548715293 941121131 /nfs/dbraw/zinc/12/11/31/941121131.db2.gz BKOSUKRGKCVBBZ-UHFFFAOYSA-N 1 1 404.514 4.404 20 30 HIEDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934635 941130510 /nfs/dbraw/zinc/13/05/10/941130510.db2.gz MNBFOJPWGRTNFB-CDIGIKMISA-N 1 1 418.537 4.070 20 30 HIEDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934638 941130544 /nfs/dbraw/zinc/13/05/44/941130544.db2.gz MNBFOJPWGRTNFB-UQAQOTMJSA-N 1 1 418.537 4.070 20 30 HIEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548939812 941131415 /nfs/dbraw/zinc/13/14/15/941131415.db2.gz ATRBWTLZXYSCFB-UHFFFAOYSA-N 1 1 413.616 4.085 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549249609 941174051 /nfs/dbraw/zinc/17/40/51/941174051.db2.gz GHHNZPNMBPBVHU-GGAORHGYSA-N 1 1 416.573 4.340 20 30 HIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000549403916 941186693 /nfs/dbraw/zinc/18/66/93/941186693.db2.gz IXHWTKWLPKQGCP-UHFFFAOYSA-N 1 1 412.415 4.182 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1C#N ZINC000550063305 941277240 /nfs/dbraw/zinc/27/72/40/941277240.db2.gz JJLWXTQLFFUBJR-DEOSSOPVSA-N 1 1 414.594 4.151 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1C#N ZINC000550063305 941277241 /nfs/dbraw/zinc/27/72/41/941277241.db2.gz JJLWXTQLFFUBJR-DEOSSOPVSA-N 1 1 414.594 4.151 20 30 HIEDMO C=CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(OC)cc1 ZINC000550701588 941356111 /nfs/dbraw/zinc/35/61/11/941356111.db2.gz VRUKTVBRGKNMBQ-UHFFFAOYSA-N 1 1 408.523 4.045 20 30 HIEDMO C=CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(OC)cc1 ZINC000550701588 941356116 /nfs/dbraw/zinc/35/61/16/941356116.db2.gz VRUKTVBRGKNMBQ-UHFFFAOYSA-N 1 1 408.523 4.045 20 30 HIEDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000552197153 941600157 /nfs/dbraw/zinc/60/01/57/941600157.db2.gz CVJPQNPGQSYVAH-INIZCTEOSA-N 1 1 411.571 4.256 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000552200041 941601071 /nfs/dbraw/zinc/60/10/71/941601071.db2.gz SFUURTBESGXAAQ-NRFANRHFSA-N 1 1 413.477 4.169 20 30 HIEDMO CC(C)(C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cc(F)cc(C#N)c1 ZINC000553510186 941899438 /nfs/dbraw/zinc/89/94/38/941899438.db2.gz WTLFLIFQQWZHBE-RUZDIDTESA-N 1 1 405.517 4.100 20 30 HIEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000553675126 941942536 /nfs/dbraw/zinc/94/25/36/941942536.db2.gz PBEMSOYBLIINJG-SFHVURJKSA-N 1 1 403.404 4.102 20 30 HIEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Br)cc1C#N ZINC000554243478 942076533 /nfs/dbraw/zinc/07/65/33/942076533.db2.gz JAHYKDCPVDMNJZ-UHFFFAOYSA-N 1 1 413.363 4.454 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000554745295 942217925 /nfs/dbraw/zinc/21/79/25/942217925.db2.gz ISTRDWGNSGKTSK-IBGZPJMESA-N 1 1 401.510 4.037 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000554745295 942217934 /nfs/dbraw/zinc/21/79/34/942217934.db2.gz ISTRDWGNSGKTSK-IBGZPJMESA-N 1 1 401.510 4.037 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000554930590 942323966 /nfs/dbraw/zinc/32/39/66/942323966.db2.gz MXKUYWXGZPZWGD-FPOVZHCZSA-N 1 1 402.546 4.188 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C3CCOCC3)CC2)c1C#N ZINC000555963053 942780418 /nfs/dbraw/zinc/78/04/18/942780418.db2.gz CWFMEUIKPPORFG-UHFFFAOYSA-N 1 1 420.557 4.043 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)s1 ZINC000556829576 942937476 /nfs/dbraw/zinc/93/74/76/942937476.db2.gz PVJMAYYOMRCYLL-IBGZPJMESA-N 1 1 411.571 4.066 20 30 HIEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000557430862 943122067 /nfs/dbraw/zinc/12/20/67/943122067.db2.gz IAUHDKLBNWLFLC-NRFANRHFSA-N 1 1 416.550 4.322 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc2ccccc2c1 ZINC000557817713 943302307 /nfs/dbraw/zinc/30/23/07/943302307.db2.gz QQCVDWUSDIZXPQ-UHFFFAOYSA-N 1 1 409.493 4.358 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc2ccccc2c1 ZINC000557817713 943302315 /nfs/dbraw/zinc/30/23/15/943302315.db2.gz QQCVDWUSDIZXPQ-UHFFFAOYSA-N 1 1 409.493 4.358 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000558981743 943784247 /nfs/dbraw/zinc/78/42/47/943784247.db2.gz KGBAZSBYUJFCLR-QGZVFWFLSA-N 1 1 413.616 4.451 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000559131386 943850592 /nfs/dbraw/zinc/85/05/92/943850592.db2.gz ZDAOKWVDWXPKQS-VKJFTORMSA-N 1 1 419.451 4.126 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)on2)c1 ZINC000559996760 944119337 /nfs/dbraw/zinc/11/93/37/944119337.db2.gz QEVLUMDBPFOZDW-NRFANRHFSA-N 1 1 420.900 4.434 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560255838 944208626 /nfs/dbraw/zinc/20/86/26/944208626.db2.gz AZGINBHBNRBWSL-UHFFFAOYSA-N 1 1 400.448 4.465 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000560267008 944212170 /nfs/dbraw/zinc/21/21/70/944212170.db2.gz SFQGTYVQDMBZSC-UHFFFAOYSA-N 1 1 420.351 4.434 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000561206238 944514937 /nfs/dbraw/zinc/51/49/37/944514937.db2.gz OARXCLVUPQQRCP-HNNXBMFYSA-N 1 1 400.573 4.180 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000561206238 944514947 /nfs/dbraw/zinc/51/49/47/944514947.db2.gz OARXCLVUPQQRCP-HNNXBMFYSA-N 1 1 400.573 4.180 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc2)c1 ZINC000562089226 944932305 /nfs/dbraw/zinc/93/23/05/944932305.db2.gz RLTOANYAOWQIAW-BJKOFHAPSA-N 1 1 420.509 4.467 20 30 HIEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000564615819 945708031 /nfs/dbraw/zinc/70/80/31/945708031.db2.gz VOKJNJWOKABOEU-UHFFFAOYSA-N 1 1 414.557 4.034 20 30 HIEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000566789233 946099271 /nfs/dbraw/zinc/09/92/71/946099271.db2.gz VKDXBOQPNSYWLY-UHFFFAOYSA-N 1 1 417.509 4.240 20 30 HIEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000566789233 946099281 /nfs/dbraw/zinc/09/92/81/946099281.db2.gz VKDXBOQPNSYWLY-UHFFFAOYSA-N 1 1 417.509 4.240 20 30 HIEDMO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000569391363 946865139 /nfs/dbraw/zinc/86/51/39/946865139.db2.gz JJZRDMYUWPBSBH-CYBMUJFWSA-N 1 1 413.275 4.100 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535878 947278897 /nfs/dbraw/zinc/27/88/97/947278897.db2.gz AXWXZEKHTFYJJE-NHCUHLMSSA-N 1 1 400.482 4.120 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000570535878 947278924 /nfs/dbraw/zinc/27/89/24/947278924.db2.gz AXWXZEKHTFYJJE-NHCUHLMSSA-N 1 1 400.482 4.120 20 30 HIEDMO O=C(CC1CCCC1)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000572450392 947911552 /nfs/dbraw/zinc/91/15/52/947911552.db2.gz VJYQDDWLPWWCLG-UHFFFAOYSA-N 1 1 408.464 4.098 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573046650 948070012 /nfs/dbraw/zinc/07/00/12/948070012.db2.gz FVYZWDYETITASD-WIYYLYMNSA-N 1 1 406.530 4.474 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573113491 948080692 /nfs/dbraw/zinc/08/06/92/948080692.db2.gz VBVZEQYKVLJJCX-AZUAARDMSA-N 1 1 414.912 4.398 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573113491 948080699 /nfs/dbraw/zinc/08/06/99/948080699.db2.gz VBVZEQYKVLJJCX-AZUAARDMSA-N 1 1 414.912 4.398 20 30 HIEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OCCCC#N ZINC000573883753 948319690 /nfs/dbraw/zinc/31/96/90/948319690.db2.gz JMBRZHYPQJBYEX-DNVJHFABSA-N 1 1 406.526 4.382 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000574240391 948395392 /nfs/dbraw/zinc/39/53/92/948395392.db2.gz LPPFIPCZFNJXKW-QFBILLFUSA-N 1 1 411.477 4.003 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574245583 948397842 /nfs/dbraw/zinc/39/78/42/948397842.db2.gz AMCURGPIADYUNW-FQEVSTJZSA-N 1 1 402.464 4.459 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(C(F)(F)F)c1 ZINC000574491803 948458825 /nfs/dbraw/zinc/45/88/25/948458825.db2.gz DHYUFNSOHQTXAE-UHFFFAOYSA-N 1 1 403.404 4.133 20 30 HIEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001164655838 719318230 /nfs/dbraw/zinc/31/82/30/719318230.db2.gz ZLKMENDJONEOFK-UHFFFAOYSA-N 1 1 422.964 4.470 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164844251 720660823 /nfs/dbraw/zinc/66/08/23/720660823.db2.gz ZJZBJKLVGKXBRN-SFHVURJKSA-N 1 1 414.912 4.006 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1C#N ZINC001164857008 720938967 /nfs/dbraw/zinc/93/89/67/720938967.db2.gz FBXRXMPJMNDFER-CYBMUJFWSA-N 1 1 407.349 4.186 20 30 HIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@@H]2C ZINC001164858051 721020357 /nfs/dbraw/zinc/02/03/57/721020357.db2.gz FNHVJDQLBMJXQK-QGZVFWFLSA-N 1 1 406.578 4.185 20 30 HIEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904722 721563503 /nfs/dbraw/zinc/56/35/03/721563503.db2.gz FLIPNTITNFIPSL-AZUAARDMSA-N 1 1 422.891 4.241 20 30 HIEDMO N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908548 721703716 /nfs/dbraw/zinc/70/37/16/721703716.db2.gz XVQJXBNIIWWJKF-QHCPKHFHSA-N 1 1 423.511 4.160 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]21 ZINC001165020612 721829166 /nfs/dbraw/zinc/82/91/66/721829166.db2.gz CTQHISDORWMBTO-YYFZDKIDSA-N 1 1 416.356 4.392 20 30 HIEDMO CCCc1cc(C#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955848 722018806 /nfs/dbraw/zinc/01/88/06/722018806.db2.gz PFSGQHISTZQTAP-UHFFFAOYSA-N 1 1 409.965 4.447 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000009980274 845610535 /nfs/dbraw/zinc/61/05/35/845610535.db2.gz KQDSLZJLZKMMHH-HSZRJFAPSA-N 1 1 407.514 4.178 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000009980274 845610541 /nfs/dbraw/zinc/61/05/41/845610541.db2.gz KQDSLZJLZKMMHH-HSZRJFAPSA-N 1 1 407.514 4.178 20 30 HIEDMO C[N@H+](CCOc1ccccc1Cl)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000010205066 845632079 /nfs/dbraw/zinc/63/20/79/845632079.db2.gz XKNURUOHSQQOHI-UHFFFAOYSA-N 1 1 406.313 4.251 20 30 HIEDMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000010205066 845632083 /nfs/dbraw/zinc/63/20/83/845632083.db2.gz XKNURUOHSQQOHI-UHFFFAOYSA-N 1 1 406.313 4.251 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000015300264 846031053 /nfs/dbraw/zinc/03/10/53/846031053.db2.gz YRUUQJHUMLQYNB-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000015300264 846031059 /nfs/dbraw/zinc/03/10/59/846031059.db2.gz YRUUQJHUMLQYNB-UHFFFAOYSA-N 1 1 401.457 4.284 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000021670665 846480797 /nfs/dbraw/zinc/48/07/97/846480797.db2.gz BHATYEZAYLNNBP-UHFFFAOYSA-N 1 1 404.489 4.235 20 30 HIEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000021670665 846480803 /nfs/dbraw/zinc/48/08/03/846480803.db2.gz BHATYEZAYLNNBP-UHFFFAOYSA-N 1 1 404.489 4.235 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000436356583 861684563 /nfs/dbraw/zinc/68/45/63/861684563.db2.gz BLHULZMTPYFLAM-UHFFFAOYSA-N 1 1 406.313 4.078 20 30 HIEDMO C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1OC ZINC000025377602 846970048 /nfs/dbraw/zinc/97/00/48/846970048.db2.gz KBDZNGNOVBLZEY-HXUWFJFHSA-N 1 1 414.933 4.480 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000026331117 847126419 /nfs/dbraw/zinc/12/64/19/847126419.db2.gz DNIKBEGOSZZPGW-SFHVURJKSA-N 1 1 401.510 4.199 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000026331117 847126430 /nfs/dbraw/zinc/12/64/30/847126430.db2.gz DNIKBEGOSZZPGW-SFHVURJKSA-N 1 1 401.510 4.199 20 30 HIEDMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026454490 847153030 /nfs/dbraw/zinc/15/30/30/847153030.db2.gz PSGVRPUGJOWUER-AWEZNQCLSA-N 1 1 403.429 4.017 20 30 HIEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026454490 847153033 /nfs/dbraw/zinc/15/30/33/847153033.db2.gz PSGVRPUGJOWUER-AWEZNQCLSA-N 1 1 403.429 4.017 20 30 HIEDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000026474022 847154863 /nfs/dbraw/zinc/15/48/63/847154863.db2.gz GSORDZAQRBHOJA-OAQYLSRUSA-N 1 1 416.443 4.019 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000026474022 847154869 /nfs/dbraw/zinc/15/48/69/847154869.db2.gz GSORDZAQRBHOJA-OAQYLSRUSA-N 1 1 416.443 4.019 20 30 HIEDMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000028890691 847472844 /nfs/dbraw/zinc/47/28/44/847472844.db2.gz ZQLLVHMKHARMEJ-UHFFFAOYSA-N 1 1 403.935 4.101 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1OC ZINC000029638135 847593575 /nfs/dbraw/zinc/59/35/75/847593575.db2.gz MBNNFIBUFDAVAQ-UHFFFAOYSA-N 1 1 401.532 4.345 20 30 HIEDMO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000041688838 848239265 /nfs/dbraw/zinc/23/92/65/848239265.db2.gz WVORJTSEKLWUEK-UHFFFAOYSA-N 1 1 406.917 4.051 20 30 HIEDMO Cn1c2ccccc2c(Cl)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000041688838 848239272 /nfs/dbraw/zinc/23/92/72/848239272.db2.gz WVORJTSEKLWUEK-UHFFFAOYSA-N 1 1 406.917 4.051 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741577 848349979 /nfs/dbraw/zinc/34/99/79/848349979.db2.gz MYPQVQKXWZCVLA-CYBMUJFWSA-N 1 1 404.283 4.481 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741577 848349991 /nfs/dbraw/zinc/34/99/91/848349991.db2.gz MYPQVQKXWZCVLA-CYBMUJFWSA-N 1 1 404.283 4.481 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000043159156 848392019 /nfs/dbraw/zinc/39/20/19/848392019.db2.gz VQJWWDGUYOTFRG-UHFFFAOYSA-N 1 1 402.420 4.317 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000043159156 848392028 /nfs/dbraw/zinc/39/20/28/848392028.db2.gz VQJWWDGUYOTFRG-UHFFFAOYSA-N 1 1 402.420 4.317 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)cc1 ZINC000045141070 848637753 /nfs/dbraw/zinc/63/77/53/848637753.db2.gz ULOXJLJXXDQSLD-UHFFFAOYSA-N 1 1 412.537 4.266 20 30 HIEDMO COc1cccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cs2)c1 ZINC000046086375 848784147 /nfs/dbraw/zinc/78/41/47/848784147.db2.gz CKMYUYBLHKQTQY-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO COc1cccc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cs2)c1 ZINC000046086375 848784154 /nfs/dbraw/zinc/78/41/54/848784154.db2.gz CKMYUYBLHKQTQY-UHFFFAOYSA-N 1 1 404.539 4.403 20 30 HIEDMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000047601442 849082312 /nfs/dbraw/zinc/08/23/12/849082312.db2.gz UFFKUGCXVPCVIH-UHFFFAOYSA-N 1 1 412.921 4.350 20 30 HIEDMO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047715700 849096913 /nfs/dbraw/zinc/09/69/13/849096913.db2.gz WSWXLNFCOMMLHE-UHFFFAOYSA-N 1 1 419.529 4.037 20 30 HIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCSCc1ccccc1C#N ZINC000048103994 849166804 /nfs/dbraw/zinc/16/68/04/849166804.db2.gz HGHZFPDCCKUNLO-UHFFFAOYSA-N 1 1 410.587 4.131 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c1C ZINC000051181885 849439832 /nfs/dbraw/zinc/43/98/32/849439832.db2.gz QTTRUJOQXJPASP-UHFFFAOYSA-N 1 1 405.542 4.231 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993585 849652655 /nfs/dbraw/zinc/65/26/55/849652655.db2.gz PIFWACHVMLUSCX-SPLOXXLWSA-N 1 1 402.926 4.104 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000053721087 849749566 /nfs/dbraw/zinc/74/95/66/849749566.db2.gz NNDODYYCWOKRLH-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000053721087 849749573 /nfs/dbraw/zinc/74/95/73/849749573.db2.gz NNDODYYCWOKRLH-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO CC(C)[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000054000818 849792609 /nfs/dbraw/zinc/79/26/09/849792609.db2.gz VLAOOKVIVCJNKX-HSZRJFAPSA-N 1 1 408.521 4.312 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056162145 850264291 /nfs/dbraw/zinc/26/42/91/850264291.db2.gz OKRUHUYIKPGFQW-ZCNNSNEGSA-N 1 1 404.558 4.153 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056162145 850264305 /nfs/dbraw/zinc/26/43/05/850264305.db2.gz OKRUHUYIKPGFQW-ZCNNSNEGSA-N 1 1 404.558 4.153 20 30 HIEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000059931874 851025800 /nfs/dbraw/zinc/02/58/00/851025800.db2.gz CUXOEWIXQGXDCP-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000059931874 851025811 /nfs/dbraw/zinc/02/58/11/851025811.db2.gz CUXOEWIXQGXDCP-UHFFFAOYSA-N 1 1 415.493 4.125 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)sc2c1CCCC2 ZINC000060090329 851039972 /nfs/dbraw/zinc/03/99/72/851039972.db2.gz ZHXIQXAACMJZKK-KRWDZBQOSA-N 1 1 413.543 4.101 20 30 HIEDMO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469353 851109631 /nfs/dbraw/zinc/10/96/31/851109631.db2.gz QXKSUPFWBRNVIU-OAQYLSRUSA-N 1 1 418.585 4.030 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000063288194 851652543 /nfs/dbraw/zinc/65/25/43/851652543.db2.gz NJDVERVKEYRWAD-UHFFFAOYSA-N 1 1 410.499 4.033 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000063402949 851680212 /nfs/dbraw/zinc/68/02/12/851680212.db2.gz APEZTFXEQAYQQI-UHFFFAOYSA-N 1 1 424.495 4.199 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000064344279 851875538 /nfs/dbraw/zinc/87/55/38/851875538.db2.gz QXDPZSSFDWWZCV-CYBMUJFWSA-N 1 1 403.935 4.401 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000064344279 851875545 /nfs/dbraw/zinc/87/55/45/851875545.db2.gz QXDPZSSFDWWZCV-CYBMUJFWSA-N 1 1 403.935 4.401 20 30 HIEDMO COc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1OCCCC#N ZINC000064614119 851940582 /nfs/dbraw/zinc/94/05/82/851940582.db2.gz BTUZVFKNGAGTSL-UHFFFAOYSA-N 1 1 407.558 4.440 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644266 851945863 /nfs/dbraw/zinc/94/58/63/851945863.db2.gz YAXXSNUOVMAIJS-NRFANRHFSA-N 1 1 410.587 4.454 20 30 HIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000065444745 852134921 /nfs/dbraw/zinc/13/49/21/852134921.db2.gz ZWJBKGVBXXPRBE-CQSZACIVSA-N 1 1 412.456 4.131 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(OC(F)F)c1 ZINC000437140641 862330937 /nfs/dbraw/zinc/33/09/37/862330937.db2.gz GTXVFIIBIXZILP-UHFFFAOYSA-N 1 1 403.404 4.149 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000065612597 852198343 /nfs/dbraw/zinc/19/83/43/852198343.db2.gz MCZJQBYZLZSDEZ-UHFFFAOYSA-N 1 1 405.542 4.341 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000071818037 852411473 /nfs/dbraw/zinc/41/14/73/852411473.db2.gz YRJGYSOAACJTIO-LJQANCHMSA-N 1 1 411.889 4.149 20 30 HIEDMO Cc1ccc(C)c(OCCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000109038591 852913403 /nfs/dbraw/zinc/91/34/03/852913403.db2.gz XPUWPEUSRLFSPV-UHFFFAOYSA-N 1 1 419.569 4.459 20 30 HIEDMO CC(C)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000109404942 852965143 /nfs/dbraw/zinc/96/51/43/852965143.db2.gz DKOMHUXWISHMAO-OAQYLSRUSA-N 1 1 416.481 4.333 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000109404942 852965153 /nfs/dbraw/zinc/96/51/53/852965153.db2.gz DKOMHUXWISHMAO-OAQYLSRUSA-N 1 1 416.481 4.333 20 30 HIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000112654581 853236895 /nfs/dbraw/zinc/23/68/95/853236895.db2.gz VVZGOLHQNKKXIJ-OAQYLSRUSA-N 1 1 417.912 4.371 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000139163124 853404238 /nfs/dbraw/zinc/40/42/38/853404238.db2.gz HZALDWZUDMOOKU-UHFFFAOYSA-N 1 1 407.477 4.062 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000139945347 853428189 /nfs/dbraw/zinc/42/81/89/853428189.db2.gz ZFFRVTMLBMNWTB-UHFFFAOYSA-N 1 1 407.539 4.322 20 30 HIEDMO Cc1csc2nc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n12 ZINC000140216899 853438728 /nfs/dbraw/zinc/43/87/28/853438728.db2.gz XBIAEJSBZAWCAT-UHFFFAOYSA-N 1 1 418.497 4.278 20 30 HIEDMO Cc1csc2nc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n12 ZINC000140216899 853438732 /nfs/dbraw/zinc/43/87/32/853438732.db2.gz XBIAEJSBZAWCAT-UHFFFAOYSA-N 1 1 418.497 4.278 20 30 HIEDMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000236669626 853909670 /nfs/dbraw/zinc/90/96/70/853909670.db2.gz AJOMHONFBQFJMP-QFIPXVFZSA-N 1 1 401.514 4.477 20 30 HIEDMO CCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236968341 853944217 /nfs/dbraw/zinc/94/42/17/853944217.db2.gz LNAIYPXHKOCGCY-XMMPIXPASA-N 1 1 404.535 4.403 20 30 HIEDMO Cc1nnc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295768 854350460 /nfs/dbraw/zinc/35/04/60/854350460.db2.gz RNYBTZXPVVRCSU-VQIMIIECSA-N 1 1 403.452 4.479 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301388784 854379688 /nfs/dbraw/zinc/37/96/88/854379688.db2.gz YVOFCCYEBVLIMX-UHFFFAOYSA-N 1 1 423.423 4.369 20 30 HIEDMO N#Cc1ccnc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301663578 854440034 /nfs/dbraw/zinc/44/00/34/854440034.db2.gz VMOCCDSALHHMJX-SFHVURJKSA-N 1 1 405.483 4.134 20 30 HIEDMO N#Cc1ccnc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301663578 854440037 /nfs/dbraw/zinc/44/00/37/854440037.db2.gz VMOCCDSALHHMJX-SFHVURJKSA-N 1 1 405.483 4.134 20 30 HIEDMO N#Cc1c(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc2ccccn12 ZINC000302154254 854539050 /nfs/dbraw/zinc/53/90/50/854539050.db2.gz ILWGSLUKZDVTIM-UHFFFAOYSA-N 1 1 410.319 4.045 20 30 HIEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000302211575 854550524 /nfs/dbraw/zinc/55/05/24/854550524.db2.gz ZKIUEKGUNPWFDS-UHFFFAOYSA-N 1 1 415.291 4.305 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813799 854643689 /nfs/dbraw/zinc/64/36/89/854643689.db2.gz PMGOODDFSPBHBB-OAQYLSRUSA-N 1 1 415.493 4.346 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813799 854643697 /nfs/dbraw/zinc/64/36/97/854643697.db2.gz PMGOODDFSPBHBB-OAQYLSRUSA-N 1 1 415.493 4.346 20 30 HIEDMO Cc1ccc(C[C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000303379776 854901271 /nfs/dbraw/zinc/90/12/71/854901271.db2.gz VNAVMNYOCDOZRJ-NRFANRHFSA-N 1 1 404.558 4.024 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000303505939 854994227 /nfs/dbraw/zinc/99/42/27/854994227.db2.gz BHMDERFJLPWTCP-LJQANCHMSA-N 1 1 401.514 4.307 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000303505939 854994230 /nfs/dbraw/zinc/99/42/30/854994230.db2.gz BHMDERFJLPWTCP-LJQANCHMSA-N 1 1 401.514 4.307 20 30 HIEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508984 854997316 /nfs/dbraw/zinc/99/73/16/854997316.db2.gz BHVFOQWQNCHMDL-QZTJIDSGSA-N 1 1 402.970 4.127 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508984 854997320 /nfs/dbraw/zinc/99/73/20/854997320.db2.gz BHVFOQWQNCHMDL-QZTJIDSGSA-N 1 1 402.970 4.127 20 30 HIEDMO C=CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000303560562 855039350 /nfs/dbraw/zinc/03/93/50/855039350.db2.gz XHYWVVURPXVGQS-FRIKZZABSA-N 1 1 406.526 4.185 20 30 HIEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000303685037 855131490 /nfs/dbraw/zinc/13/14/90/855131490.db2.gz LGLMCXQMLZWWLL-LJQANCHMSA-N 1 1 409.505 4.313 20 30 HIEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303779075 855194206 /nfs/dbraw/zinc/19/42/06/855194206.db2.gz SDPOVJBERWJIEU-LAUBAEHRSA-N 1 1 410.949 4.135 20 30 HIEDMO C[N@@H+](CCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1)C1CC1 ZINC000410334294 855934214 /nfs/dbraw/zinc/93/42/14/855934214.db2.gz DEJXMZFZTUFRGV-UHFFFAOYSA-N 1 1 423.460 4.015 20 30 HIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]2CCCO2)c1 ZINC000437401352 862750584 /nfs/dbraw/zinc/75/05/84/862750584.db2.gz XISDHAXDHDLTII-HXUWFJFHSA-N 1 1 402.441 4.349 20 30 HIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]2CCCO2)c1 ZINC000437401352 862750607 /nfs/dbraw/zinc/75/06/07/862750607.db2.gz XISDHAXDHDLTII-HXUWFJFHSA-N 1 1 402.441 4.349 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426142718 856135890 /nfs/dbraw/zinc/13/58/90/856135890.db2.gz WHYABOGBQHMBRW-CTNGQTDRSA-N 1 1 412.921 4.013 20 30 HIEDMO CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426142718 856135894 /nfs/dbraw/zinc/13/58/94/856135894.db2.gz WHYABOGBQHMBRW-CTNGQTDRSA-N 1 1 412.921 4.013 20 30 HIEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000426148924 856140312 /nfs/dbraw/zinc/14/03/12/856140312.db2.gz NYRWWNSMGBEBGE-ZDUSSCGKSA-N 1 1 414.296 4.340 20 30 HIEDMO C=CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1nc2c(s1)CCCC2 ZINC000426699031 856419593 /nfs/dbraw/zinc/41/95/93/856419593.db2.gz DUEXIMCKIMLJKF-UHFFFAOYSA-N 1 1 415.469 4.373 20 30 HIEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000426747647 856451197 /nfs/dbraw/zinc/45/11/97/856451197.db2.gz QUFZPNJAQKUGOD-GOSISDBHSA-N 1 1 411.571 4.221 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426841548 856508095 /nfs/dbraw/zinc/50/80/95/856508095.db2.gz DBFDYUQJKJZHKB-LJQANCHMSA-N 1 1 411.918 4.113 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c(C#N)c1C ZINC000427012841 856594841 /nfs/dbraw/zinc/59/48/41/856594841.db2.gz SRJYMNWFOVSCLG-UHFFFAOYSA-N 1 1 408.527 4.395 20 30 HIEDMO Cc1sc(NC(=O)C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c(C#N)c1C ZINC000427012841 856594852 /nfs/dbraw/zinc/59/48/52/856594852.db2.gz SRJYMNWFOVSCLG-UHFFFAOYSA-N 1 1 408.527 4.395 20 30 HIEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140639 856664375 /nfs/dbraw/zinc/66/43/75/856664375.db2.gz SYCQGGHFPYOLTI-QPPBQGQZSA-N 1 1 408.542 4.144 20 30 HIEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140639 856664388 /nfs/dbraw/zinc/66/43/88/856664388.db2.gz SYCQGGHFPYOLTI-QPPBQGQZSA-N 1 1 408.542 4.144 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC000437469407 862830796 /nfs/dbraw/zinc/83/07/96/862830796.db2.gz ROMDYVWTVUZJIQ-KRWDZBQOSA-N 1 1 420.582 4.289 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437510023 862859842 /nfs/dbraw/zinc/85/98/42/862859842.db2.gz YFNLYEDTHKDDGT-PZJWPPBQSA-N 1 1 423.582 4.353 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437510023 862859846 /nfs/dbraw/zinc/85/98/46/862859846.db2.gz YFNLYEDTHKDDGT-PZJWPPBQSA-N 1 1 423.582 4.353 20 30 HIEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000428810944 857355191 /nfs/dbraw/zinc/35/51/91/857355191.db2.gz YYVGVIUWLNOIKO-HXUWFJFHSA-N 1 1 405.889 4.025 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923521 857418448 /nfs/dbraw/zinc/41/84/48/857418448.db2.gz DOBTXMDVJVEMGC-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923521 857418454 /nfs/dbraw/zinc/41/84/54/857418454.db2.gz DOBTXMDVJVEMGC-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923519 857418475 /nfs/dbraw/zinc/41/84/75/857418475.db2.gz DOBTXMDVJVEMGC-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923519 857418485 /nfs/dbraw/zinc/41/84/85/857418485.db2.gz DOBTXMDVJVEMGC-FOIQADDNSA-N 1 1 417.431 4.368 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429240021 857569376 /nfs/dbraw/zinc/56/93/76/857569376.db2.gz WNPZKESKFUOZAX-HXUWFJFHSA-N 1 1 412.578 4.169 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429240021 857569384 /nfs/dbraw/zinc/56/93/84/857569384.db2.gz WNPZKESKFUOZAX-HXUWFJFHSA-N 1 1 412.578 4.169 20 30 HIEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400483 857644041 /nfs/dbraw/zinc/64/40/41/857644041.db2.gz FFIRHDZXHAVGOH-QFIPXVFZSA-N 1 1 424.614 4.223 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000429759175 857875662 /nfs/dbraw/zinc/87/56/62/857875662.db2.gz SQYJJOIZZBLHTR-QHCPKHFHSA-N 1 1 409.530 4.054 20 30 HIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429988890 857985883 /nfs/dbraw/zinc/98/58/83/857985883.db2.gz KGIXEQCHMWZKQK-LJQANCHMSA-N 1 1 407.562 4.094 20 30 HIEDMO Cc1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)nc(N2CCCC2)n1 ZINC000430159179 858059190 /nfs/dbraw/zinc/05/91/90/858059190.db2.gz CXOPETOWFJRENN-UHFFFAOYSA-N 1 1 413.525 4.126 20 30 HIEDMO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000437660232 862999040 /nfs/dbraw/zinc/99/90/40/862999040.db2.gz ZDVYACQZNUTARN-GFCCVEGCSA-N 1 1 409.292 4.426 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719167 858277148 /nfs/dbraw/zinc/27/71/48/858277148.db2.gz YTZUMIGLHZOEMU-AEFFLSMTSA-N 1 1 408.468 4.081 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001642 858400104 /nfs/dbraw/zinc/40/01/04/858400104.db2.gz WBDVKJUTOHEOSB-INIZCTEOSA-N 1 1 401.919 4.339 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608896 858687493 /nfs/dbraw/zinc/68/74/93/858687493.db2.gz LMVXSOIOICYXEZ-HSZRJFAPSA-N 1 1 415.493 4.194 20 30 HIEDMO N#CCCC[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000433016793 859479742 /nfs/dbraw/zinc/47/97/42/859479742.db2.gz URRGVVYSJLXDGW-GOSISDBHSA-N 1 1 400.408 4.206 20 30 HIEDMO N#CCCn1cc(CNCc2ccccc2C[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000433306020 859629020 /nfs/dbraw/zinc/62/90/20/859629020.db2.gz PLQVEMBXNSNCLX-UHFFFAOYSA-N 1 1 414.557 4.134 20 30 HIEDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406486 859681418 /nfs/dbraw/zinc/68/14/18/859681418.db2.gz PLYJBEGMZXZFJL-VQTJNVASSA-N 1 1 420.557 4.086 20 30 HIEDMO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000433476327 859720775 /nfs/dbraw/zinc/72/07/75/859720775.db2.gz AXZSJNZRJWHRPE-DEOSSOPVSA-N 1 1 407.510 4.268 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434713899 860467806 /nfs/dbraw/zinc/46/78/06/860467806.db2.gz LFZUWTPWEAHMEM-UHFFFAOYSA-N 1 1 414.575 4.164 20 30 HIEDMO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434798839 860498325 /nfs/dbraw/zinc/49/83/25/860498325.db2.gz MEXDDRXJSJAPTJ-HXUWFJFHSA-N 1 1 404.539 4.394 20 30 HIEDMO COC(=O)[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865672 860527841 /nfs/dbraw/zinc/52/78/41/860527841.db2.gz SEXRNDYAMRZQSR-YDIMBITNSA-N 1 1 405.542 4.040 20 30 HIEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000434979868 860583762 /nfs/dbraw/zinc/58/37/62/860583762.db2.gz XZQCZSZRNJRBEB-PKTZIBPZSA-N 1 1 405.542 4.204 20 30 HIEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000434979868 860583764 /nfs/dbraw/zinc/58/37/64/860583764.db2.gz XZQCZSZRNJRBEB-PKTZIBPZSA-N 1 1 405.542 4.204 20 30 HIEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000434979868 860583769 /nfs/dbraw/zinc/58/37/69/860583769.db2.gz XZQCZSZRNJRBEB-PKTZIBPZSA-N 1 1 405.542 4.204 20 30 HIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000435126707 860652951 /nfs/dbraw/zinc/65/29/51/860652951.db2.gz PYBRLBFXXJZQFN-IBGZPJMESA-N 1 1 406.559 4.387 20 30 HIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000435126708 860653049 /nfs/dbraw/zinc/65/30/49/860653049.db2.gz PYBRLBFXXJZQFN-LJQANCHMSA-N 1 1 406.559 4.387 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435284967 860719183 /nfs/dbraw/zinc/71/91/83/860719183.db2.gz MLRAKRYLSVFQTI-JOCHJYFZSA-N 1 1 416.525 4.456 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435900343 861156414 /nfs/dbraw/zinc/15/64/14/861156414.db2.gz ARQXZXAVXJSXLW-JXFKEZNVSA-N 1 1 409.473 4.129 20 30 HIEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)o2)cc1 ZINC000437856336 863215798 /nfs/dbraw/zinc/21/57/98/863215798.db2.gz ZKUQJSUYQQXKKG-HXUWFJFHSA-N 1 1 407.514 4.257 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378863 864810355 /nfs/dbraw/zinc/81/03/55/864810355.db2.gz OXYBKMAXHZWIRZ-JTSKRJEESA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378863 864810358 /nfs/dbraw/zinc/81/03/58/864810358.db2.gz OXYBKMAXHZWIRZ-JTSKRJEESA-N 1 1 421.545 4.035 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@H](C)O1 ZINC000439548161 864875110 /nfs/dbraw/zinc/87/51/10/864875110.db2.gz KLEDPRFDNBZCFM-IYBDPMFKSA-N 1 1 401.457 4.381 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@H](C)O1 ZINC000439548161 864875112 /nfs/dbraw/zinc/87/51/12/864875112.db2.gz KLEDPRFDNBZCFM-IYBDPMFKSA-N 1 1 401.457 4.381 20 30 HIEDMO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000439601454 864925415 /nfs/dbraw/zinc/92/54/15/864925415.db2.gz MFFBMVDLKLYJME-SFHVURJKSA-N 1 1 412.578 4.164 20 30 HIEDMO CCCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684167 865020272 /nfs/dbraw/zinc/02/02/72/865020272.db2.gz KNWACPDMCUNJKO-MJGOQNOKSA-N 1 1 408.550 4.033 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440230569 865466960 /nfs/dbraw/zinc/46/69/60/865466960.db2.gz HOULDXQQKKZLTG-QEFHDYNCSA-N 1 1 404.558 4.487 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440250693 865493529 /nfs/dbraw/zinc/49/35/29/865493529.db2.gz BFRWZOKZSDNWCL-GOTSBHOMSA-N 1 1 405.546 4.123 20 30 HIEDMO N#Cc1cccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440431531 865732069 /nfs/dbraw/zinc/73/20/69/865732069.db2.gz PROYGGCUGRTQHL-LJQANCHMSA-N 1 1 401.432 4.085 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440452839 865757048 /nfs/dbraw/zinc/75/70/48/865757048.db2.gz CBWRYAKFUMLUOE-UHFFFAOYSA-N 1 1 416.443 4.173 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000468107935 881923645 /nfs/dbraw/zinc/92/36/45/881923645.db2.gz IRWJPCBYDIDUQR-DEOSSOPVSA-N 1 1 417.553 4.494 20 30 HIEDMO N#CC1CCC(CNC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000440993613 866069228 /nfs/dbraw/zinc/06/92/28/866069228.db2.gz WRBXTMRXEMNGOX-OBFZPWGMSA-N 1 1 422.598 4.477 20 30 HIEDMO N#CC1CCC(CNC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000440993613 866069249 /nfs/dbraw/zinc/06/92/49/866069249.db2.gz WRBXTMRXEMNGOX-OBFZPWGMSA-N 1 1 422.598 4.477 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441033228 866097089 /nfs/dbraw/zinc/09/70/89/866097089.db2.gz MNRPHALVWLIFIR-CBGDNZLLSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441033228 866097104 /nfs/dbraw/zinc/09/71/04/866097104.db2.gz MNRPHALVWLIFIR-CBGDNZLLSA-N 1 1 409.555 4.343 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060191 866140007 /nfs/dbraw/zinc/14/00/07/866140007.db2.gz JWYGUPHLSPBPAS-OCCSQVGLSA-N 1 1 408.449 4.240 20 30 HIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441060191 866140030 /nfs/dbraw/zinc/14/00/30/866140030.db2.gz JWYGUPHLSPBPAS-OCCSQVGLSA-N 1 1 408.449 4.240 20 30 HIEDMO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000441544670 866620106 /nfs/dbraw/zinc/62/01/06/866620106.db2.gz KMTPVPBTTDZPFK-AVRDEDQJSA-N 1 1 401.514 4.266 20 30 HIEDMO COc1cc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1C#N ZINC000442794791 867677943 /nfs/dbraw/zinc/67/79/43/867677943.db2.gz DOQHKBQBJCGLON-UHFFFAOYSA-N 1 1 405.420 4.435 20 30 HIEDMO COc1cc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1C#N ZINC000442794791 867677949 /nfs/dbraw/zinc/67/79/49/867677949.db2.gz DOQHKBQBJCGLON-UHFFFAOYSA-N 1 1 405.420 4.435 20 30 HIEDMO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000442903647 867732714 /nfs/dbraw/zinc/73/27/14/867732714.db2.gz YNEUNZVBZYGLHY-CJFMBICVSA-N 1 1 418.541 4.235 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000468236556 882130941 /nfs/dbraw/zinc/13/09/41/882130941.db2.gz WSNJANBFOZRHBK-UHFFFAOYSA-N 1 1 402.325 4.142 20 30 HIEDMO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000443617474 868185794 /nfs/dbraw/zinc/18/57/94/868185794.db2.gz XENGEULDFBQBOK-NSHDSACASA-N 1 1 409.292 4.426 20 30 HIEDMO C=CC[C@H]1[N@@H+](Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776382 868998390 /nfs/dbraw/zinc/99/83/90/868998390.db2.gz CLPDIMGLHBGTLO-GOSISDBHSA-N 1 1 401.507 4.329 20 30 HIEDMO Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC(C)C)c1 ZINC000445871087 869866431 /nfs/dbraw/zinc/86/64/31/869866431.db2.gz ICUGRCANHMBHNY-UHFFFAOYSA-N 1 1 420.557 4.071 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445880548 869870219 /nfs/dbraw/zinc/87/02/19/869870219.db2.gz OHIYLCUFELQHSV-HNNXBMFYSA-N 1 1 420.332 4.166 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)c1 ZINC000446994373 870882597 /nfs/dbraw/zinc/88/25/97/870882597.db2.gz RNQOTZLOQLZXIK-HSZRJFAPSA-N 1 1 409.938 4.474 20 30 HIEDMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N(CCC(F)(F)F)CC(F)(F)F ZINC000468518671 882527805 /nfs/dbraw/zinc/52/78/05/882527805.db2.gz XANVOMZHLFJKQD-UHFFFAOYSA-N 1 1 416.272 4.162 20 30 HIEDMO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883291 871799402 /nfs/dbraw/zinc/79/94/02/871799402.db2.gz SBTVZIAWADBLFA-WMZHIEFXSA-N 1 1 418.541 4.101 20 30 HIEDMO CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883291 871799421 /nfs/dbraw/zinc/79/94/21/871799421.db2.gz SBTVZIAWADBLFA-WMZHIEFXSA-N 1 1 418.541 4.101 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000448195516 872078358 /nfs/dbraw/zinc/07/83/58/872078358.db2.gz CWFJRTNWZPDVFR-WIOPSUGQSA-N 1 1 415.537 4.226 20 30 HIEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000448250471 872169217 /nfs/dbraw/zinc/16/92/17/872169217.db2.gz VRCYLHBUCNYQTK-UHFFFAOYSA-N 1 1 418.472 4.318 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460392086 873039504 /nfs/dbraw/zinc/03/95/04/873039504.db2.gz WYAGIHWQUWFIQP-UHFFFAOYSA-N 1 1 407.587 4.219 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)cc1 ZINC000460687388 873443228 /nfs/dbraw/zinc/44/32/28/873443228.db2.gz HUFZDBLHNZQOTQ-UHFFFAOYSA-N 1 1 402.473 4.041 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460770572 873618262 /nfs/dbraw/zinc/61/82/62/873618262.db2.gz RRLZLULMOPLWDX-FCEUIQTBSA-N 1 1 409.578 4.368 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460777797 873630086 /nfs/dbraw/zinc/63/00/86/873630086.db2.gz IXBQFKDHTIFLON-KZKAQZJJSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460781275 873635828 /nfs/dbraw/zinc/63/58/28/873635828.db2.gz JAYDXMRVMJDRFU-CMKODMSKSA-N 1 1 415.557 4.300 20 30 HIEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460782264 873639041 /nfs/dbraw/zinc/63/90/41/873639041.db2.gz AUISUXUYNVXTDY-KNQAVFIVSA-N 1 1 419.577 4.016 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460947710 873845585 /nfs/dbraw/zinc/84/55/85/873845585.db2.gz HQRBJKSCTDUNAN-CMKODMSKSA-N 1 1 415.557 4.442 20 30 HIEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460955211 873852574 /nfs/dbraw/zinc/85/25/74/873852574.db2.gz DKNXNKUTQVPVGG-QZTJIDSGSA-N 1 1 415.607 4.074 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460960975 873857154 /nfs/dbraw/zinc/85/71/54/873857154.db2.gz RZHAYXMLWIRHHO-IRLDBZIGSA-N 1 1 416.573 4.406 20 30 HIEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460961249 873858382 /nfs/dbraw/zinc/85/83/82/873858382.db2.gz SUDNNBWRCLMXSV-WIYYLYMNSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460962990 873859445 /nfs/dbraw/zinc/85/94/45/873859445.db2.gz MQRSTPKCHWIOLH-CTNGQTDRSA-N 1 1 406.578 4.166 20 30 HIEDMO C=CCc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000461432745 874479663 /nfs/dbraw/zinc/47/96/63/874479663.db2.gz VJIXBCGUBYEKQN-GMAHTHKFSA-N 1 1 420.553 4.026 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@H](C)C1 ZINC000461482027 874542139 /nfs/dbraw/zinc/54/21/39/874542139.db2.gz BPRKXYRURUWFEG-DYESRHJHSA-N 1 1 420.586 4.093 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760577 882846980 /nfs/dbraw/zinc/84/69/80/882846980.db2.gz ANGPIRZITGNFQN-AUSIDOKSSA-N 1 1 402.542 4.202 20 30 HIEDMO Cc1nc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(Cl)cc1C#N ZINC000461776110 874902521 /nfs/dbraw/zinc/90/25/21/874902521.db2.gz KUGHLDMYJHOWNH-UHFFFAOYSA-N 1 1 414.937 4.017 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940492 875073612 /nfs/dbraw/zinc/07/36/12/875073612.db2.gz KCNWYDGVMJUJJB-KLIQENQMSA-N 1 1 406.933 4.384 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940492 875073631 /nfs/dbraw/zinc/07/36/31/875073631.db2.gz KCNWYDGVMJUJJB-KLIQENQMSA-N 1 1 406.933 4.384 20 30 HIEDMO CSc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccc(F)c(F)c2)c1 ZINC000462192680 875298738 /nfs/dbraw/zinc/29/87/38/875298738.db2.gz UDPNYTGJZTUJKF-FCHUYYIVSA-N 1 1 417.525 4.420 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462239315 875353497 /nfs/dbraw/zinc/35/34/97/875353497.db2.gz RWCHUPAPSIBXMZ-GOSISDBHSA-N 1 1 421.545 4.079 20 30 HIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cc2)c1C ZINC000462776141 875833581 /nfs/dbraw/zinc/83/35/81/875833581.db2.gz QZVVYCAVWYGZRG-UHFFFAOYSA-N 1 1 401.470 4.108 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463201303 876261045 /nfs/dbraw/zinc/26/10/45/876261045.db2.gz DMVJLHNUQFDQIP-KOUHRCEDSA-N 1 1 415.603 4.282 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cc(Br)c1N ZINC000463286522 876344480 /nfs/dbraw/zinc/34/44/80/876344480.db2.gz WENZCVZQLQHFLT-UHFFFAOYSA-N 1 1 409.125 4.297 20 30 HIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1OCCCO ZINC000463371270 876426222 /nfs/dbraw/zinc/42/62/22/876426222.db2.gz WNSCHMJIBYNYSP-ZDUSSCGKSA-N 1 1 407.283 4.072 20 30 HIEDMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594192 876704983 /nfs/dbraw/zinc/70/49/83/876704983.db2.gz SQIUTBYKYPNYOJ-IRXDYDNUSA-N 1 1 422.504 4.252 20 30 HIEDMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594192 876704988 /nfs/dbraw/zinc/70/49/88/876704988.db2.gz SQIUTBYKYPNYOJ-IRXDYDNUSA-N 1 1 422.504 4.252 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763264 878003375 /nfs/dbraw/zinc/00/33/75/878003375.db2.gz ALKLHZTYZIDQKR-PMACEKPBSA-N 1 1 423.582 4.445 20 30 HIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780530 878024161 /nfs/dbraw/zinc/02/41/61/878024161.db2.gz UDHWAIXCAGWJIB-MJGOQNOKSA-N 1 1 414.575 4.162 20 30 HIEDMO Cc1ccc(CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]2CCCO2)cc1 ZINC000464782101 878027329 /nfs/dbraw/zinc/02/73/29/878027329.db2.gz VCMMWRXTEQJVRX-OAQYLSRUSA-N 1 1 423.582 4.273 20 30 HIEDMO Cc1ccc(CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]2CCCO2)cc1 ZINC000464782101 878027347 /nfs/dbraw/zinc/02/73/47/878027347.db2.gz VCMMWRXTEQJVRX-OAQYLSRUSA-N 1 1 423.582 4.273 20 30 HIEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)sc1C ZINC000464812758 878064621 /nfs/dbraw/zinc/06/46/21/878064621.db2.gz WBZWZYRRYBVKDZ-CYBMUJFWSA-N 1 1 402.589 4.475 20 30 HIEDMO C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000464831345 878087819 /nfs/dbraw/zinc/08/78/19/878087819.db2.gz AAUREIDREVLBES-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCN1Cc1ccccc1 ZINC000464831345 878087838 /nfs/dbraw/zinc/08/78/38/878087838.db2.gz AAUREIDREVLBES-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCN1Cc1ccccc1 ZINC000464831345 878087856 /nfs/dbraw/zinc/08/78/56/878087856.db2.gz AAUREIDREVLBES-SFHVURJKSA-N 1 1 422.598 4.033 20 30 HIEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000464856786 878136404 /nfs/dbraw/zinc/13/64/04/878136404.db2.gz RUTUGRXUSBLYBF-QGZVFWFLSA-N 1 1 412.603 4.427 20 30 HIEDMO C=CCc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000465189370 878584800 /nfs/dbraw/zinc/58/48/00/878584800.db2.gz WRMZUWYRKQTPSW-GOSISDBHSA-N 1 1 424.541 4.405 20 30 HIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000465253343 878679630 /nfs/dbraw/zinc/67/96/30/878679630.db2.gz LMRCJGMURVQSSK-FQEVSTJZSA-N 1 1 424.520 4.376 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000465471868 878908287 /nfs/dbraw/zinc/90/82/87/878908287.db2.gz WUXKJEGTULSJHR-SBUREZEXSA-N 1 1 402.498 4.333 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1OC ZINC000466475707 880258438 /nfs/dbraw/zinc/25/84/38/880258438.db2.gz USHQWCHSBAYJLP-INIZCTEOSA-N 1 1 408.267 4.385 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCC2CCOCC2)c1C#N ZINC000466487682 880267258 /nfs/dbraw/zinc/26/72/58/880267258.db2.gz CXZZSAMPIFVQHC-UHFFFAOYSA-N 1 1 400.567 4.169 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466606955 880376089 /nfs/dbraw/zinc/37/60/89/880376089.db2.gz KMWACVAQGRUPRZ-CTNGQTDRSA-N 1 1 421.545 4.281 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466608185 880377144 /nfs/dbraw/zinc/37/71/44/880377144.db2.gz OAPKLPMYVDCXRH-IBGZPJMESA-N 1 1 413.566 4.273 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000467152110 880888462 /nfs/dbraw/zinc/88/84/62/880888462.db2.gz NZKXSIZWLVBEBS-GOSISDBHSA-N 1 1 402.498 4.303 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000467152110 880888465 /nfs/dbraw/zinc/88/84/65/880888465.db2.gz NZKXSIZWLVBEBS-GOSISDBHSA-N 1 1 402.498 4.303 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000467192204 880920770 /nfs/dbraw/zinc/92/07/70/880920770.db2.gz SPPOBQZHJWABLA-UHFFFAOYSA-N 1 1 422.273 4.450 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000467192204 880920783 /nfs/dbraw/zinc/92/07/83/880920783.db2.gz SPPOBQZHJWABLA-UHFFFAOYSA-N 1 1 422.273 4.450 20 30 HIEDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281126 881026120 /nfs/dbraw/zinc/02/61/20/881026120.db2.gz UERBTQLTCZSPIM-SJORKVTESA-N 1 1 403.592 4.354 20 30 HIEDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467281604 881028714 /nfs/dbraw/zinc/02/87/14/881028714.db2.gz WNDHMOJRZUOQHK-SJORKVTESA-N 1 1 403.592 4.212 20 30 HIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467351815 881109992 /nfs/dbraw/zinc/10/99/92/881109992.db2.gz CYKHKHPHRVBNGH-UHFFFAOYSA-N 1 1 409.349 4.164 20 30 HIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467351815 881109999 /nfs/dbraw/zinc/10/99/99/881109999.db2.gz CYKHKHPHRVBNGH-UHFFFAOYSA-N 1 1 409.349 4.164 20 30 HIEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@@H](C)O1 ZINC000469163944 883260317 /nfs/dbraw/zinc/26/03/17/883260317.db2.gz VTQCVWXNRCXFNU-IAGOWNOFSA-N 1 1 416.481 4.075 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469298346 883396228 /nfs/dbraw/zinc/39/62/28/883396228.db2.gz KBIYQDKPWXUPQT-UYAOXDASSA-N 1 1 409.555 4.168 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469298346 883396240 /nfs/dbraw/zinc/39/62/40/883396240.db2.gz KBIYQDKPWXUPQT-UYAOXDASSA-N 1 1 409.555 4.168 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469472249 883697934 /nfs/dbraw/zinc/69/79/34/883697934.db2.gz JHRWSYXHPSDQLA-CVEARBPZSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469472249 883697939 /nfs/dbraw/zinc/69/79/39/883697939.db2.gz JHRWSYXHPSDQLA-CVEARBPZSA-N 1 1 401.432 4.229 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000470477881 884867681 /nfs/dbraw/zinc/86/76/81/884867681.db2.gz QHXKLSFYDMNPQZ-GOSISDBHSA-N 1 1 421.566 4.035 20 30 HIEDMO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470666711 885094250 /nfs/dbraw/zinc/09/42/50/885094250.db2.gz JTRZEOGZDGZRRF-HSZRJFAPSA-N 1 1 405.542 4.230 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470943971 885442246 /nfs/dbraw/zinc/44/22/46/885442246.db2.gz FUHRXKVFEXUZGI-YJBOKZPZSA-N 1 1 422.451 4.219 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470943969 885442495 /nfs/dbraw/zinc/44/24/95/885442495.db2.gz FUHRXKVFEXUZGI-MAUKXSAKSA-N 1 1 422.451 4.219 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000471236778 885810888 /nfs/dbraw/zinc/81/08/88/885810888.db2.gz RXBYEZZWSZZYMZ-HTAPYJJXSA-N 1 1 413.610 4.082 20 30 HIEDMO C[C@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000471443996 886110262 /nfs/dbraw/zinc/11/02/62/886110262.db2.gz OBRZYVOHXFNTPC-LJQANCHMSA-N 1 1 417.509 4.371 20 30 HIEDMO C[C@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000471465290 886150818 /nfs/dbraw/zinc/15/08/18/886150818.db2.gz AGDIFTLUTLXGOR-LJQANCHMSA-N 1 1 417.509 4.371 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2Cc3ccccc3C[C@H]2C)c1C#N ZINC000472253202 887062918 /nfs/dbraw/zinc/06/29/18/887062918.db2.gz AZUGXSRWGAQVLD-QGZVFWFLSA-N 1 1 416.525 4.393 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258464 913122107 /nfs/dbraw/zinc/12/21/07/913122107.db2.gz QUIGEGGVADMOFB-IEBWSBKVSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258464 913122116 /nfs/dbraw/zinc/12/21/16/913122116.db2.gz QUIGEGGVADMOFB-IEBWSBKVSA-N 1 1 400.885 4.090 20 30 HIEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000472746707 887592116 /nfs/dbraw/zinc/59/21/16/887592116.db2.gz GBMMDKUJHGJRBV-JQYIIUTOSA-N 1 1 417.597 4.460 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000473176620 887955484 /nfs/dbraw/zinc/95/54/84/887955484.db2.gz LBJADRCJZDRMMG-NBGIEHNGSA-N 1 1 403.526 4.070 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000473176620 887955489 /nfs/dbraw/zinc/95/54/89/887955489.db2.gz LBJADRCJZDRMMG-NBGIEHNGSA-N 1 1 403.526 4.070 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473176621 887955727 /nfs/dbraw/zinc/95/57/27/887955727.db2.gz LBJADRCJZDRMMG-NLFFAJNJSA-N 1 1 403.526 4.070 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473176621 887955729 /nfs/dbraw/zinc/95/57/29/887955729.db2.gz LBJADRCJZDRMMG-NLFFAJNJSA-N 1 1 403.526 4.070 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473295736 888047831 /nfs/dbraw/zinc/04/78/31/888047831.db2.gz QSOHNFWGNJGAKC-NRFANRHFSA-N 1 1 400.526 4.197 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474148061 888976449 /nfs/dbraw/zinc/97/64/49/888976449.db2.gz UUVXHCKUXLPMOL-DYESRHJHSA-N 1 1 411.908 4.192 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474241142 889089671 /nfs/dbraw/zinc/08/96/71/889089671.db2.gz UFIOJJUBCODRKW-CTNGQTDRSA-N 1 1 422.598 4.083 20 30 HIEDMO Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474415161 889278960 /nfs/dbraw/zinc/27/89/60/889278960.db2.gz ROXXRBSFGBPEHI-UHFFFAOYSA-N 1 1 414.509 4.178 20 30 HIEDMO Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474415161 889278974 /nfs/dbraw/zinc/27/89/74/889278974.db2.gz ROXXRBSFGBPEHI-UHFFFAOYSA-N 1 1 414.509 4.178 20 30 HIEDMO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474608723 889473766 /nfs/dbraw/zinc/47/37/66/889473766.db2.gz XNQYAQXYEIRSJY-DEOSSOPVSA-N 1 1 421.516 4.122 20 30 HIEDMO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474608723 889473769 /nfs/dbraw/zinc/47/37/69/889473769.db2.gz XNQYAQXYEIRSJY-DEOSSOPVSA-N 1 1 421.516 4.122 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474616850 889480830 /nfs/dbraw/zinc/48/08/30/889480830.db2.gz KAKFZWUVBPWQBM-GOSISDBHSA-N 1 1 402.420 4.315 20 30 HIEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000504590452 913350159 /nfs/dbraw/zinc/35/01/59/913350159.db2.gz QWIPNOXBIYXQPB-HXUWFJFHSA-N 1 1 415.541 4.115 20 30 HIEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000504590452 913350174 /nfs/dbraw/zinc/35/01/74/913350174.db2.gz QWIPNOXBIYXQPB-HXUWFJFHSA-N 1 1 415.541 4.115 20 30 HIEDMO C=CC1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000474842004 889700484 /nfs/dbraw/zinc/70/04/84/889700484.db2.gz OCSLUMQIMAORAY-UHFFFAOYSA-N 1 1 406.368 4.021 20 30 HIEDMO CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018656 889871402 /nfs/dbraw/zinc/87/14/02/889871402.db2.gz RQXNYBNMWAUTAA-SFHVURJKSA-N 1 1 414.456 4.288 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000475167913 890034885 /nfs/dbraw/zinc/03/48/85/890034885.db2.gz RMBKTHIVLLIUMO-QUCCMNQESA-N 1 1 411.590 4.246 20 30 HIEDMO Cc1c(Br)scc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000475295910 890202651 /nfs/dbraw/zinc/20/26/51/890202651.db2.gz JORRHOPAYNRRDQ-UHFFFAOYSA-N 1 1 418.360 4.039 20 30 HIEDMO Cc1c(Br)scc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000475295910 890202676 /nfs/dbraw/zinc/20/26/76/890202676.db2.gz JORRHOPAYNRRDQ-UHFFFAOYSA-N 1 1 418.360 4.039 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396485 890325010 /nfs/dbraw/zinc/32/50/10/890325010.db2.gz IJMVYEQAPSZPIN-ISKFKSNPSA-N 1 1 420.532 4.251 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)s1 ZINC000475618857 890550523 /nfs/dbraw/zinc/55/05/23/890550523.db2.gz BOHFLAJSJGYUEO-AWEZNQCLSA-N 1 1 405.239 4.224 20 30 HIEDMO N#CCC[C@H](C#N)C[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475682494 890623583 /nfs/dbraw/zinc/62/35/83/890623583.db2.gz RPESYLRYHOOBBH-APWZRJJASA-N 1 1 422.392 4.469 20 30 HIEDMO N#CCC[C@H](C#N)C[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475682494 890623590 /nfs/dbraw/zinc/62/35/90/890623590.db2.gz RPESYLRYHOOBBH-APWZRJJASA-N 1 1 422.392 4.469 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476611869 891545702 /nfs/dbraw/zinc/54/57/02/891545702.db2.gz PARJMDLLFHTZLQ-RTBURBONSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476611869 891545726 /nfs/dbraw/zinc/54/57/26/891545726.db2.gz PARJMDLLFHTZLQ-RTBURBONSA-N 1 1 400.885 4.090 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000476809683 891795511 /nfs/dbraw/zinc/79/55/11/891795511.db2.gz UNVGPRUVDIXNPI-VGOFRKELSA-N 1 1 419.529 4.005 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044647 891969638 /nfs/dbraw/zinc/96/96/38/891969638.db2.gz CNOYZTRHBKLOPN-KBMIEXCESA-N 1 1 420.557 4.083 20 30 HIEDMO C=C(C)CN(C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000477614195 892708589 /nfs/dbraw/zinc/70/85/89/892708589.db2.gz NVGANOTZLSFTSL-UHFFFAOYSA-N 1 1 409.530 4.302 20 30 HIEDMO C=C(C)CN(C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000477614195 892708611 /nfs/dbraw/zinc/70/86/11/892708611.db2.gz NVGANOTZLSFTSL-UHFFFAOYSA-N 1 1 409.530 4.302 20 30 HIEDMO N#CC1(NC(=O)c2cnc(-c3ccsc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479208707 894472475 /nfs/dbraw/zinc/47/24/75/894472475.db2.gz AFTADQOCMZENOO-UHFFFAOYSA-N 1 1 408.552 4.160 20 30 HIEDMO Cn1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)nc2cccc(Cl)c21 ZINC000479397586 894700766 /nfs/dbraw/zinc/70/07/66/894700766.db2.gz XKDWJHYOUVJOJF-UHFFFAOYSA-N 1 1 404.905 4.294 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)c(F)c1 ZINC000481607036 896988261 /nfs/dbraw/zinc/98/82/61/896988261.db2.gz JYUWMXYMLPMKQS-HXUWFJFHSA-N 1 1 410.848 4.481 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481864187 897232150 /nfs/dbraw/zinc/23/21/50/897232150.db2.gz NRVJEHZLGCIVFA-FYYLOGMGSA-N 1 1 405.567 4.163 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000482508129 898091387 /nfs/dbraw/zinc/09/13/87/898091387.db2.gz KZTZWYCHVLERCM-SANMLTNESA-N 1 1 417.553 4.230 20 30 HIEDMO C=C(C)[C@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482627741 898231429 /nfs/dbraw/zinc/23/14/29/898231429.db2.gz HVMGALWJLWXVKX-CTNGQTDRSA-N 1 1 403.473 4.193 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c(C#N)c1C ZINC000482878941 898492441 /nfs/dbraw/zinc/49/24/41/898492441.db2.gz VWMCWOZYTDOGHM-OAHLLOKOSA-N 1 1 405.502 4.090 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(Br)cn2)c1C ZINC000482970627 898603565 /nfs/dbraw/zinc/60/35/65/898603565.db2.gz KXXOYGHCCHTIGY-MRXNPFEDSA-N 1 1 415.335 4.058 20 30 HIEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000482998367 898646414 /nfs/dbraw/zinc/64/64/14/898646414.db2.gz JLEZRRXBAKQTDX-RUZDIDTESA-N 1 1 420.557 4.057 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@@H]21 ZINC000483230959 898874699 /nfs/dbraw/zinc/87/46/99/898874699.db2.gz QPVXJTRGOQZEKF-PXNSSMCTSA-N 1 1 408.477 4.438 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383940 899018644 /nfs/dbraw/zinc/01/86/44/899018644.db2.gz QUICVTDPJZSJOE-FGZHOGPDSA-N 1 1 420.532 4.251 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@H]21 ZINC000483567853 899223200 /nfs/dbraw/zinc/22/32/00/899223200.db2.gz ZIJICUPEFHNBLS-RBBKRZOGSA-N 1 1 405.567 4.407 20 30 HIEDMO C=CCN(CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000483662361 899323129 /nfs/dbraw/zinc/32/31/29/899323129.db2.gz PPQNZPWTEFRFRG-UHFFFAOYSA-N 1 1 402.583 4.281 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484008412 899645244 /nfs/dbraw/zinc/64/52/44/899645244.db2.gz MKQCROKIOPFMBF-WOJBJXKFSA-N 1 1 422.495 4.144 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C#N ZINC000484822202 900224701 /nfs/dbraw/zinc/22/47/01/900224701.db2.gz QHGIVXFNNHPJDN-UHFFFAOYSA-N 1 1 408.571 4.323 20 30 HIEDMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)s1 ZINC000484860791 900251528 /nfs/dbraw/zinc/25/15/28/900251528.db2.gz DSTDSXVFZGXEQR-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)s1 ZINC000484860791 900251536 /nfs/dbraw/zinc/25/15/36/900251536.db2.gz DSTDSXVFZGXEQR-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000484991732 900345559 /nfs/dbraw/zinc/34/55/59/900345559.db2.gz BVIQUKBYCPWEEA-HTAPYJJXSA-N 1 1 419.529 4.147 20 30 HIEDMO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)c1C ZINC000485041734 900378648 /nfs/dbraw/zinc/37/86/48/900378648.db2.gz JBUVMNQQMMIROO-UHFFFAOYSA-N 1 1 410.558 4.288 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311194 900589463 /nfs/dbraw/zinc/58/94/63/900589463.db2.gz AFBDWGFCMMBHFE-CLOONOSVSA-N 1 1 423.557 4.149 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000485311194 900589471 /nfs/dbraw/zinc/58/94/71/900589471.db2.gz AFBDWGFCMMBHFE-CLOONOSVSA-N 1 1 423.557 4.149 20 30 HIEDMO CCc1c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(CC)CC ZINC000485365643 900662001 /nfs/dbraw/zinc/66/20/01/900662001.db2.gz WIMCXQZKOUKKSU-UHFFFAOYSA-N 1 1 422.577 4.418 20 30 HIEDMO CCc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(CC)CC ZINC000485365643 900662008 /nfs/dbraw/zinc/66/20/08/900662008.db2.gz WIMCXQZKOUKKSU-UHFFFAOYSA-N 1 1 422.577 4.418 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505819590 914477979 /nfs/dbraw/zinc/47/79/79/914477979.db2.gz OIDUGZNZNAYNLO-RBUKOAKNSA-N 1 1 409.555 4.278 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505819590 914477986 /nfs/dbraw/zinc/47/79/86/914477986.db2.gz OIDUGZNZNAYNLO-RBUKOAKNSA-N 1 1 409.555 4.278 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966075 901994013 /nfs/dbraw/zinc/99/40/13/901994013.db2.gz JQXAJGCCGLOEKO-KKSFZXQISA-N 1 1 401.470 4.337 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000487128708 902068236 /nfs/dbraw/zinc/06/82/36/902068236.db2.gz XQDNBTYAEMAOOM-GOSISDBHSA-N 1 1 421.566 4.035 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000488400441 902808770 /nfs/dbraw/zinc/80/87/70/902808770.db2.gz COBHJYHWGVBEEF-FCHUYYIVSA-N 1 1 411.571 4.432 20 30 HIEDMO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488624714 902905086 /nfs/dbraw/zinc/90/50/86/902905086.db2.gz IOSJMBZXVVRVJY-WAABAYLZSA-N 1 1 416.569 4.378 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506036542 914724160 /nfs/dbraw/zinc/72/41/60/914724160.db2.gz NJKZJOKUMFBUFV-OAHLLOKOSA-N 1 1 417.966 4.206 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489850828 903631371 /nfs/dbraw/zinc/63/13/71/903631371.db2.gz VJYPCEWMYOAVTP-HYBUGGRVSA-N 1 1 404.558 4.389 20 30 HIEDMO Cn1cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000491089046 904420736 /nfs/dbraw/zinc/42/07/36/904420736.db2.gz CMVXKAVOQDSSCX-UHFFFAOYSA-N 1 1 400.526 4.388 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 ZINC000491113582 904437479 /nfs/dbraw/zinc/43/74/79/904437479.db2.gz SAMDNEFXCGSNBA-UHFFFAOYSA-N 1 1 401.333 4.415 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137844 904450039 /nfs/dbraw/zinc/45/00/39/904450039.db2.gz QLAUSWBEUJNJIB-NRFANRHFSA-N 1 1 402.498 4.313 20 30 HIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491194918 904477320 /nfs/dbraw/zinc/47/73/20/904477320.db2.gz QUMMEOZBQPOCPQ-UHFFFAOYSA-N 1 1 400.404 4.489 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506133836 914817397 /nfs/dbraw/zinc/81/73/97/914817397.db2.gz BQEHJRXKCCMDJR-KRWDZBQOSA-N 1 1 405.498 4.449 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506133836 914817403 /nfs/dbraw/zinc/81/74/03/914817403.db2.gz BQEHJRXKCCMDJR-KRWDZBQOSA-N 1 1 405.498 4.449 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC)c1 ZINC000491893802 904722709 /nfs/dbraw/zinc/72/27/09/904722709.db2.gz WOOIOKMPAFDNIB-JOCHJYFZSA-N 1 1 402.498 4.313 20 30 HIEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123067 904803039 /nfs/dbraw/zinc/80/30/39/904803039.db2.gz VBBDQWZBGYJCRK-WIYYLYMNSA-N 1 1 424.932 4.349 20 30 HIEDMO C=CCNC(=O)c1ccc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000492994280 904977376 /nfs/dbraw/zinc/97/73/76/904977376.db2.gz PMWOORGJAWQGSH-GOSISDBHSA-N 1 1 402.901 4.039 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512393012 921128819 /nfs/dbraw/zinc/12/88/19/921128819.db2.gz NBUFMPRBMUBJFL-UGKGYDQZSA-N 1 1 402.542 4.147 20 30 HIEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494766509 905963818 /nfs/dbraw/zinc/96/38/18/905963818.db2.gz AAIQAVCIEOANGR-QUCCMNQESA-N 1 1 420.557 4.049 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791612 905993734 /nfs/dbraw/zinc/99/37/34/905993734.db2.gz FJLRODNIYZBLSF-UGKGYDQZSA-N 1 1 424.589 4.011 20 30 HIEDMO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000494900143 906074519 /nfs/dbraw/zinc/07/45/19/906074519.db2.gz HMFSDEXNFVNONW-UHFFFAOYSA-N 1 1 404.539 4.271 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000495023288 906181295 /nfs/dbraw/zinc/18/12/95/906181295.db2.gz GLAGZMNTYSNXHJ-LJQANCHMSA-N 1 1 412.578 4.009 20 30 HIEDMO N#Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512548932 921229345 /nfs/dbraw/zinc/22/93/45/921229345.db2.gz JRQWTTHGHJQPID-QGZVFWFLSA-N 1 1 406.383 4.112 20 30 HIEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)n1 ZINC000495465812 906467159 /nfs/dbraw/zinc/46/71/59/906467159.db2.gz TUCSIOMIFQMWMY-SFHVURJKSA-N 1 1 400.573 4.333 20 30 HIEDMO N#Cc1cccc(C2(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000496652296 906728759 /nfs/dbraw/zinc/72/87/59/906728759.db2.gz RUAXBBMESHXSIG-NOTZXAQLSA-N 1 1 400.526 4.042 20 30 HIEDMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)co2)cc1 ZINC000512616932 921262995 /nfs/dbraw/zinc/26/29/95/921262995.db2.gz JCKVEHIEURAZHE-UHFFFAOYSA-N 1 1 400.482 4.372 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496805420 906758549 /nfs/dbraw/zinc/75/85/49/906758549.db2.gz LFHFWBJWULXYQP-MRXNPFEDSA-N 1 1 409.555 4.226 20 30 HIEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000512705654 921292909 /nfs/dbraw/zinc/29/29/09/921292909.db2.gz NSKFFDIRTYXABC-UHFFFAOYSA-N 1 1 413.905 4.102 20 30 HIEDMO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512831900 921336385 /nfs/dbraw/zinc/33/63/85/921336385.db2.gz FZYMMZNTMXAVTM-SFHVURJKSA-N 1 1 409.505 4.493 20 30 HIEDMO N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000498462719 907930646 /nfs/dbraw/zinc/93/06/46/907930646.db2.gz SFRBSQFWYSOWBN-QFIPXVFZSA-N 1 1 401.535 4.078 20 30 HIEDMO N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000498462719 907930656 /nfs/dbraw/zinc/93/06/56/907930656.db2.gz SFRBSQFWYSOWBN-QFIPXVFZSA-N 1 1 401.535 4.078 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498547709 908010456 /nfs/dbraw/zinc/01/04/56/908010456.db2.gz HLIFYTLNNFTERL-BJKOFHAPSA-N 1 1 405.542 4.371 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498677420 908106455 /nfs/dbraw/zinc/10/64/55/908106455.db2.gz VHMUDAGCIGRGOV-FCHUYYIVSA-N 1 1 424.495 4.349 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498677420 908106467 /nfs/dbraw/zinc/10/64/67/908106467.db2.gz VHMUDAGCIGRGOV-FCHUYYIVSA-N 1 1 424.495 4.349 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618054 908856979 /nfs/dbraw/zinc/85/69/79/908856979.db2.gz INNKLGLGUZWOMR-VQTJNVASSA-N 1 1 404.432 4.180 20 30 HIEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000500735718 910049730 /nfs/dbraw/zinc/04/97/30/910049730.db2.gz YUCGRGDCOMRNIK-HSZRJFAPSA-N 1 1 406.530 4.136 20 30 HIEDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(COc4ccccc4C#N)c3)sc2C1 ZINC000513117288 921563438 /nfs/dbraw/zinc/56/34/38/921563438.db2.gz BQUIHCHZNWVYPR-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(COc4ccccc4C#N)c3)sc2C1 ZINC000513117288 921563444 /nfs/dbraw/zinc/56/34/44/921563444.db2.gz BQUIHCHZNWVYPR-UHFFFAOYSA-N 1 1 418.522 4.224 20 30 HIEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000501141103 910321210 /nfs/dbraw/zinc/32/12/10/910321210.db2.gz GVBMRMZVOVCDLF-NRFANRHFSA-N 1 1 410.493 4.080 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501528102 910639434 /nfs/dbraw/zinc/63/94/34/910639434.db2.gz BNYLJNCOEVSASA-OAHLLOKOSA-N 1 1 420.694 4.026 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501836868 910878253 /nfs/dbraw/zinc/87/82/53/910878253.db2.gz YNMSSTINLFKZDW-TZIWHRDSSA-N 1 1 401.599 4.205 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501852397 910885973 /nfs/dbraw/zinc/88/59/73/910885973.db2.gz FQMRKIRZKYPQAA-HNNXBMFYSA-N 1 1 404.864 4.114 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501852397 910885987 /nfs/dbraw/zinc/88/59/87/910885987.db2.gz FQMRKIRZKYPQAA-HNNXBMFYSA-N 1 1 404.864 4.114 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3sccc3Br)CC2)c1 ZINC000502173890 911097983 /nfs/dbraw/zinc/09/79/83/911097983.db2.gz OMSYOXNBLBGNGE-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310242 911275637 /nfs/dbraw/zinc/27/56/37/911275637.db2.gz COFCEJKSEJGRCK-HXUWFJFHSA-N 1 1 421.545 4.059 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000502311907 911280015 /nfs/dbraw/zinc/28/00/15/911280015.db2.gz JFGRSDFZGMVLFR-HXUWFJFHSA-N 1 1 402.473 4.032 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000502311907 911280039 /nfs/dbraw/zinc/28/00/39/911280039.db2.gz JFGRSDFZGMVLFR-HXUWFJFHSA-N 1 1 402.473 4.032 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000502845087 911856343 /nfs/dbraw/zinc/85/63/43/911856343.db2.gz LNAMKBYWMASQRE-OAHLLOKOSA-N 1 1 412.456 4.275 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502933929 911919136 /nfs/dbraw/zinc/91/91/36/911919136.db2.gz DMETYZSNZVIZJH-KRWDZBQOSA-N 1 1 403.486 4.238 20 30 HIEDMO Cc1ccc(C(C)(C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000502961832 911943317 /nfs/dbraw/zinc/94/33/17/911943317.db2.gz PVVXTSOBGYCIED-UHFFFAOYSA-N 1 1 404.558 4.062 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077360 912049070 /nfs/dbraw/zinc/04/90/70/912049070.db2.gz UEIOKOFSQKOVHZ-CVDCTZTESA-N 1 1 416.525 4.425 20 30 HIEDMO CCOc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506279126 914880532 /nfs/dbraw/zinc/88/05/32/914880532.db2.gz IKEMDWGAWMBBSB-UHFFFAOYSA-N 1 1 415.484 4.266 20 30 HIEDMO CCOc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506279126 914880533 /nfs/dbraw/zinc/88/05/33/914880533.db2.gz IKEMDWGAWMBBSB-UHFFFAOYSA-N 1 1 415.484 4.266 20 30 HIEDMO CCOc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506279126 914880536 /nfs/dbraw/zinc/88/05/36/914880536.db2.gz IKEMDWGAWMBBSB-UHFFFAOYSA-N 1 1 415.484 4.266 20 30 HIEDMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338753 914953094 /nfs/dbraw/zinc/95/30/94/914953094.db2.gz OLZZEWNCDIWWBL-AOYPEHQESA-N 1 1 400.522 4.466 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000506661918 915337182 /nfs/dbraw/zinc/33/71/82/915337182.db2.gz KBDQZUMAZJRWJR-MGPQQGTHSA-N 1 1 414.365 4.454 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(Br)c1 ZINC000506882608 915675028 /nfs/dbraw/zinc/67/50/28/915675028.db2.gz BMRDYBZDKDSNFB-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000507114142 915875735 /nfs/dbraw/zinc/87/57/35/915875735.db2.gz WGKGSLWTRNARSL-JOCHJYFZSA-N 1 1 419.529 4.052 20 30 HIEDMO N#CCCCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507172268 915915003 /nfs/dbraw/zinc/91/50/03/915915003.db2.gz AFSPRCUFCFMTQV-OAQYLSRUSA-N 1 1 413.468 4.465 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c(C#N)c1C ZINC000507178674 915925132 /nfs/dbraw/zinc/92/51/32/915925132.db2.gz IKYTVZQORFZTLP-MRXNPFEDSA-N 1 1 406.486 4.315 20 30 HIEDMO C=C[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241479 916001640 /nfs/dbraw/zinc/00/16/40/916001640.db2.gz YLQBFPPCFJFYQW-NOZRDPDXSA-N 1 1 418.581 4.391 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507689398 916462695 /nfs/dbraw/zinc/46/26/95/916462695.db2.gz SMEKFWWIRNPAFV-FDDCHVKYSA-N 1 1 421.541 4.322 20 30 HIEDMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507822777 916621127 /nfs/dbraw/zinc/62/11/27/916621127.db2.gz JFGXOBKHNBJRDR-KRWDZBQOSA-N 1 1 411.933 4.274 20 30 HIEDMO C=C(C)CN(CC)C(=O)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507936944 916807803 /nfs/dbraw/zinc/80/78/03/916807803.db2.gz CDXLIPDYXPJHMH-UHFFFAOYSA-N 1 1 411.512 4.026 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038763 916867787 /nfs/dbraw/zinc/86/77/87/916867787.db2.gz NNXKPYZFVVJTKI-FQEVSTJZSA-N 1 1 409.530 4.204 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508460452 917245472 /nfs/dbraw/zinc/24/54/72/917245472.db2.gz CRRQHYCYVBOUQG-OAQYLSRUSA-N 1 1 407.587 4.075 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000508493213 917278508 /nfs/dbraw/zinc/27/85/08/917278508.db2.gz XUEAXMJOWIMXLV-KRWDZBQOSA-N 1 1 408.937 4.063 20 30 HIEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508507563 917293893 /nfs/dbraw/zinc/29/38/93/917293893.db2.gz ICAPFZOWTFXWHP-QFIPXVFZSA-N 1 1 409.578 4.089 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000508719749 917482560 /nfs/dbraw/zinc/48/25/60/917482560.db2.gz PFWHSYVLJCZBTQ-UHFFFAOYSA-N 1 1 419.422 4.453 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508728693 917489982 /nfs/dbraw/zinc/48/99/82/917489982.db2.gz BNIJFVYVGORKRQ-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508745553 917503312 /nfs/dbraw/zinc/50/33/12/917503312.db2.gz GDLRFMKYMKSENI-YADHBBJMSA-N 1 1 423.605 4.442 20 30 HIEDMO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508814783 917568946 /nfs/dbraw/zinc/56/89/46/917568946.db2.gz WKQKNTPNKMQYIQ-WWNPGLIZSA-N 1 1 405.590 4.459 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508911958 917668666 /nfs/dbraw/zinc/66/86/66/917668666.db2.gz CODZDUVVWHHRSB-GOSISDBHSA-N 1 1 422.964 4.371 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000509002076 917756685 /nfs/dbraw/zinc/75/66/85/917756685.db2.gz PUXUPXZDHFUZCU-FQEVSTJZSA-N 1 1 411.594 4.323 20 30 HIEDMO COc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OCC(F)(F)F ZINC000509099161 917838455 /nfs/dbraw/zinc/83/84/55/917838455.db2.gz NDJGMTLLSDWRDJ-UHFFFAOYSA-N 1 1 419.447 4.220 20 30 HIEDMO Cc1cc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc(C)c1OCC(F)(F)F ZINC000510173929 918724714 /nfs/dbraw/zinc/72/47/14/918724714.db2.gz DMYNBWNOGPIPIY-UHFFFAOYSA-N 1 1 402.420 4.396 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510396861 918872929 /nfs/dbraw/zinc/87/29/29/918872929.db2.gz MQOANLNHEIVANM-PKOBYXMFSA-N 1 1 419.554 4.316 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510396861 918872931 /nfs/dbraw/zinc/87/29/31/918872931.db2.gz MQOANLNHEIVANM-PKOBYXMFSA-N 1 1 419.554 4.316 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000510524781 918970820 /nfs/dbraw/zinc/97/08/20/918970820.db2.gz QNMKAFPRNDWOBY-HNNXBMFYSA-N 1 1 406.324 4.125 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000510535530 918980851 /nfs/dbraw/zinc/98/08/51/918980851.db2.gz BWNZVAGUCVGPHJ-RUZDIDTESA-N 1 1 411.505 4.200 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000510535530 918980862 /nfs/dbraw/zinc/98/08/62/918980862.db2.gz BWNZVAGUCVGPHJ-RUZDIDTESA-N 1 1 411.505 4.200 20 30 HIEDMO C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551204 918996818 /nfs/dbraw/zinc/99/68/18/918996818.db2.gz OOVPLPJPVOOYDW-FUHWJXTLSA-N 1 1 407.480 4.009 20 30 HIEDMO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510787647 919254764 /nfs/dbraw/zinc/25/47/64/919254764.db2.gz MFKKFDXQTRMFLG-PKOBYXMFSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126552 919739324 /nfs/dbraw/zinc/73/93/24/919739324.db2.gz YRIDVXHUFYBUDD-INIZCTEOSA-N 1 1 412.515 4.102 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511126552 919739330 /nfs/dbraw/zinc/73/93/30/919739330.db2.gz YRIDVXHUFYBUDD-INIZCTEOSA-N 1 1 412.515 4.102 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000511396197 920007939 /nfs/dbraw/zinc/00/79/39/920007939.db2.gz GNCXMVBCXDQBHH-LJQANCHMSA-N 1 1 420.557 4.299 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000511638786 920302506 /nfs/dbraw/zinc/30/25/06/920302506.db2.gz BSALZOICQZSLPF-UHFFFAOYSA-N 1 1 411.933 4.371 20 30 HIEDMO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511710619 920375743 /nfs/dbraw/zinc/37/57/43/920375743.db2.gz UROKOUMQAJXVDZ-GMAHTHKFSA-N 1 1 411.496 4.175 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1C ZINC000511797259 920490747 /nfs/dbraw/zinc/49/07/47/920490747.db2.gz NDCRDMLUFNZOAU-OYRHQHFDSA-N 1 1 417.553 4.055 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1C ZINC000511797261 920490826 /nfs/dbraw/zinc/49/08/26/920490826.db2.gz NDCRDMLUFNZOAU-VDKIKQQVSA-N 1 1 417.553 4.055 20 30 HIEDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c(F)c(F)c1F ZINC000511832664 920539461 /nfs/dbraw/zinc/53/94/61/920539461.db2.gz QOOWPOXUORODDS-LBPRGKRZSA-N 1 1 420.328 4.266 20 30 HIEDMO N#Cc1ccc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511841852 920554409 /nfs/dbraw/zinc/55/44/09/920554409.db2.gz DSTQYSUEEVHFRG-GOSISDBHSA-N 1 1 419.472 4.060 20 30 HIEDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019597 920794579 /nfs/dbraw/zinc/79/45/79/920794579.db2.gz IABXTCURSOWTSV-FOIQADDNSA-N 1 1 416.447 4.212 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512151963 920893461 /nfs/dbraw/zinc/89/34/61/920893461.db2.gz JPHBLPLSZUFPFD-JPYJTQIMSA-N 1 1 422.573 4.425 20 30 HIEDMO O=C(C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)NCC(F)(F)F ZINC000512293614 921048647 /nfs/dbraw/zinc/04/86/47/921048647.db2.gz GIHUZYJLHREGNB-MRXNPFEDSA-N 1 1 408.317 4.202 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000512347323 921092178 /nfs/dbraw/zinc/09/21/78/921092178.db2.gz OHZSPYRXGAOIMH-PGRDOPGGSA-N 1 1 423.582 4.391 20 30 HIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)c2)c1 ZINC000513672318 921995096 /nfs/dbraw/zinc/99/50/96/921995096.db2.gz JHSBXYQYFYNUDX-QFIPXVFZSA-N 1 1 413.525 4.055 20 30 HIEDMO CC(C)(C)O[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513757385 922076264 /nfs/dbraw/zinc/07/62/64/922076264.db2.gz MTLWHBJXHBSZIV-QHCPKHFHSA-N 1 1 405.542 4.149 20 30 HIEDMO CC(C)(C)O[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513757385 922076270 /nfs/dbraw/zinc/07/62/70/922076270.db2.gz MTLWHBJXHBSZIV-QHCPKHFHSA-N 1 1 405.542 4.149 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000513790020 922117353 /nfs/dbraw/zinc/11/73/53/922117353.db2.gz QVBZDDRHZBKWAN-HNNXBMFYSA-N 1 1 403.935 4.393 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1C#N ZINC000513978505 922300604 /nfs/dbraw/zinc/30/06/04/922300604.db2.gz NIWCYCQSKLXEAH-UHFFFAOYSA-N 1 1 413.591 4.440 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCc2nccs2)C(C)C)c1C#N ZINC000513978505 922300631 /nfs/dbraw/zinc/30/06/31/922300631.db2.gz NIWCYCQSKLXEAH-UHFFFAOYSA-N 1 1 413.591 4.440 20 30 HIEDMO N#CCCCOc1cccc(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000514237528 922576402 /nfs/dbraw/zinc/57/64/02/922576402.db2.gz JSLLAOYXRVKVDX-FQEVSTJZSA-N 1 1 403.320 4.345 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1cccs1 ZINC000514852996 922825170 /nfs/dbraw/zinc/82/51/70/922825170.db2.gz YQDNMLWIRUIWBK-DENIHFKCSA-N 1 1 408.571 4.377 20 30 HIEDMO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(C#N)CC2)cc1OC ZINC000518662144 927414486 /nfs/dbraw/zinc/41/44/86/927414486.db2.gz DQUCAUQBKLAFSH-UHFFFAOYSA-N 1 1 402.498 4.009 20 30 HIEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849240 927553876 /nfs/dbraw/zinc/55/38/76/927553876.db2.gz VNXRGEGSXQDIBM-PXNSSMCTSA-N 1 1 419.422 4.438 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000518908980 927618768 /nfs/dbraw/zinc/61/87/68/927618768.db2.gz FMTQOTPYLDTPBF-UHFFFAOYSA-N 1 1 409.555 4.295 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000519710641 928053120 /nfs/dbraw/zinc/05/31/20/928053120.db2.gz VGWXHMFJXKPAAD-UHFFFAOYSA-N 1 1 420.557 4.097 20 30 HIEDMO COc1ccc([C@H](NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000520173782 928364004 /nfs/dbraw/zinc/36/40/04/928364004.db2.gz BHYAFVNXCUGXBJ-RUZDIDTESA-N 1 1 405.542 4.292 20 30 HIEDMO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2C[NH+](Cc3cc(C#N)cs3)C2)cn1 ZINC000520255539 928421835 /nfs/dbraw/zinc/42/18/35/928421835.db2.gz QQSWBQPYCKTXNV-UHFFFAOYSA-N 1 1 417.582 4.250 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000520778471 928812928 /nfs/dbraw/zinc/81/29/28/928812928.db2.gz DINNROOVRDOFIQ-AHWVRZQESA-N 1 1 417.553 4.086 20 30 HIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000521091162 928986026 /nfs/dbraw/zinc/98/60/26/928986026.db2.gz HNABHCGMSXZJQC-MRXNPFEDSA-N 1 1 411.285 4.330 20 30 HIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000521091162 928986036 /nfs/dbraw/zinc/98/60/36/928986036.db2.gz HNABHCGMSXZJQC-MRXNPFEDSA-N 1 1 411.285 4.330 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521113035 929003469 /nfs/dbraw/zinc/00/34/69/929003469.db2.gz WHDKIZDGMONOCS-BOMBAVFCSA-N 1 1 417.553 4.277 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC000531056526 930899885 /nfs/dbraw/zinc/89/98/85/930899885.db2.gz LPCRHIKUCOQZEW-HXUWFJFHSA-N 1 1 411.512 4.245 20 30 HIEDMO Cc1ccc(NCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)[nH+]c1 ZINC000531250557 930981915 /nfs/dbraw/zinc/98/19/15/930981915.db2.gz HWUSJAAGYPDOAJ-UHFFFAOYSA-N 1 1 400.482 4.073 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531346126 931025150 /nfs/dbraw/zinc/02/51/50/931025150.db2.gz QKXICRUOWSCVMG-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531346126 931025157 /nfs/dbraw/zinc/02/51/57/931025157.db2.gz QKXICRUOWSCVMG-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000531587808 931111125 /nfs/dbraw/zinc/11/11/25/931111125.db2.gz DUNWKRGMXMNYMX-LJQANCHMSA-N 1 1 404.514 4.011 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000531587878 931111190 /nfs/dbraw/zinc/11/11/90/931111190.db2.gz KFDHULGELIKSCH-WMLDXEAASA-N 1 1 424.408 4.316 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000531587878 931111194 /nfs/dbraw/zinc/11/11/94/931111194.db2.gz KFDHULGELIKSCH-WMLDXEAASA-N 1 1 424.408 4.316 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1ccccc1OC ZINC000532489268 931458034 /nfs/dbraw/zinc/45/80/34/931458034.db2.gz AUKXWTNTMJITAG-GOSISDBHSA-N 1 1 417.513 4.164 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1ccccc1OC ZINC000532489268 931458038 /nfs/dbraw/zinc/45/80/38/931458038.db2.gz AUKXWTNTMJITAG-GOSISDBHSA-N 1 1 417.513 4.164 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000532933532 931702577 /nfs/dbraw/zinc/70/25/77/931702577.db2.gz SAKMEERLZRMLFT-UHFFFAOYSA-N 1 1 419.569 4.224 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](Cc1ccccc1)CC1CCOCC1)CCC2 ZINC000533286996 931828377 /nfs/dbraw/zinc/82/83/77/931828377.db2.gz AIDRVRBHHPUZAE-UHFFFAOYSA-N 1 1 423.582 4.366 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000533311568 931836582 /nfs/dbraw/zinc/83/65/82/931836582.db2.gz VBWVXILRTOWFHE-LJQANCHMSA-N 1 1 405.395 4.169 20 30 HIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400305 931858766 /nfs/dbraw/zinc/85/87/66/931858766.db2.gz NRIVPAWCKPTIOQ-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400305 931858768 /nfs/dbraw/zinc/85/87/68/931858768.db2.gz NRIVPAWCKPTIOQ-UZLBHIALSA-N 1 1 409.555 4.289 20 30 HIEDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000533412831 931861216 /nfs/dbraw/zinc/86/12/16/931861216.db2.gz QITWPGYXZAMQHO-UHFFFAOYSA-N 1 1 406.555 4.465 20 30 HIEDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000533412831 931861219 /nfs/dbraw/zinc/86/12/19/931861219.db2.gz QITWPGYXZAMQHO-UHFFFAOYSA-N 1 1 406.555 4.465 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000533425686 931864030 /nfs/dbraw/zinc/86/40/30/931864030.db2.gz NHWMJGQLBRYSRC-MSOLQXFVSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000533425686 931864033 /nfs/dbraw/zinc/86/40/33/931864033.db2.gz NHWMJGQLBRYSRC-MSOLQXFVSA-N 1 1 409.555 4.375 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533432130 931867261 /nfs/dbraw/zinc/86/72/61/931867261.db2.gz WATJMBPVKCNSQK-ZLGUVYLKSA-N 1 1 415.603 4.353 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1C#N ZINC000533501466 931885755 /nfs/dbraw/zinc/88/57/55/931885755.db2.gz ADFVNGLYNYCAAM-HXUWFJFHSA-N 1 1 405.546 4.217 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1C#N ZINC000533501466 931885757 /nfs/dbraw/zinc/88/57/57/931885757.db2.gz ADFVNGLYNYCAAM-HXUWFJFHSA-N 1 1 405.546 4.217 20 30 HIEDMO C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000533936329 932110014 /nfs/dbraw/zinc/11/00/14/932110014.db2.gz AYQYYUQCMCTQNL-CVDCTZTESA-N 1 1 405.542 4.151 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959154 932859978 /nfs/dbraw/zinc/85/99/78/932859978.db2.gz CYLJRBMQEBVBQF-JXFKEZNVSA-N 1 1 400.885 4.474 20 30 HIEDMO COc1ccc(Br)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000535068271 932896732 /nfs/dbraw/zinc/89/67/32/932896732.db2.gz PKKXTQQWQWMUCQ-UHFFFAOYSA-N 1 1 414.347 4.037 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)cc1 ZINC000537561868 938324976 /nfs/dbraw/zinc/32/49/76/938324976.db2.gz OXASIJCQXGTQLH-LJQANCHMSA-N 1 1 417.517 4.154 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)cc1 ZINC000537561868 938324978 /nfs/dbraw/zinc/32/49/78/938324978.db2.gz OXASIJCQXGTQLH-LJQANCHMSA-N 1 1 417.517 4.154 20 30 HIEDMO C=CC[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1)C1CC1 ZINC000537855324 938390941 /nfs/dbraw/zinc/39/09/41/938390941.db2.gz UJUSZXJXRMNWBD-JOCHJYFZSA-N 1 1 403.526 4.075 20 30 HIEDMO C=CC[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1)C1CC1 ZINC000537855324 938390945 /nfs/dbraw/zinc/39/09/45/938390945.db2.gz UJUSZXJXRMNWBD-JOCHJYFZSA-N 1 1 403.526 4.075 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000538591105 938657150 /nfs/dbraw/zinc/65/71/50/938657150.db2.gz XPAFBPPADITUQP-OYRHEFFESA-N 1 1 418.585 4.244 20 30 HIEDMO C[C@@H]1CN(Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000538591105 938657152 /nfs/dbraw/zinc/65/71/52/938657152.db2.gz XPAFBPPADITUQP-OYRHEFFESA-N 1 1 418.585 4.244 20 30 HIEDMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538740218 938698035 /nfs/dbraw/zinc/69/80/35/938698035.db2.gz UZSFXVPGJGHQOZ-NRFANRHFSA-N 1 1 412.537 4.411 20 30 HIEDMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538740218 938698036 /nfs/dbraw/zinc/69/80/36/938698036.db2.gz UZSFXVPGJGHQOZ-NRFANRHFSA-N 1 1 412.537 4.411 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000538752253 938702712 /nfs/dbraw/zinc/70/27/12/938702712.db2.gz SXXGVDCUAGMSRW-INIZCTEOSA-N 1 1 411.384 4.186 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327743 938842577 /nfs/dbraw/zinc/84/25/77/938842577.db2.gz DYOUMMXRVPQBCE-KUHUBIRLSA-N 1 1 419.497 4.132 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c(-c2ccccc2)n1 ZINC000539841416 938954857 /nfs/dbraw/zinc/95/48/57/938954857.db2.gz VJKJKHHQLPRSQU-UHFFFAOYSA-N 1 1 407.468 4.064 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000539899158 938971819 /nfs/dbraw/zinc/97/18/19/938971819.db2.gz ADUOUCXIUPXUPL-IRXDYDNUSA-N 1 1 410.352 4.271 20 30 HIEDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540057123 939053343 /nfs/dbraw/zinc/05/33/43/939053343.db2.gz YEBVTGPKKJNUKQ-KRWDZBQOSA-N 1 1 411.571 4.100 20 30 HIEDMO CC[C@H](CSC)[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540199543 939123529 /nfs/dbraw/zinc/12/35/29/939123529.db2.gz YWNCPWISGYJSQE-QGZVFWFLSA-N 1 1 402.564 4.020 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540274093 939179408 /nfs/dbraw/zinc/17/94/08/939179408.db2.gz BWPSMSYISGERSH-CALCHBBNSA-N 1 1 411.933 4.488 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540274093 939179413 /nfs/dbraw/zinc/17/94/13/939179413.db2.gz BWPSMSYISGERSH-CALCHBBNSA-N 1 1 411.933 4.488 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799773 939376880 /nfs/dbraw/zinc/37/68/80/939376880.db2.gz QCMKRKXUODYCAC-IFMALSPDSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799773 939376882 /nfs/dbraw/zinc/37/68/82/939376882.db2.gz QCMKRKXUODYCAC-IFMALSPDSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541158461 939480793 /nfs/dbraw/zinc/48/07/93/939480793.db2.gz DCYTXUKITHHBBA-FQEVSTJZSA-N 1 1 420.557 4.038 20 30 HIEDMO N#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000541320663 939490784 /nfs/dbraw/zinc/49/07/84/939490784.db2.gz LQOAMLHGUZVCMU-UHFFFAOYSA-N 1 1 417.340 4.329 20 30 HIEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541391230 939504021 /nfs/dbraw/zinc/50/40/21/939504021.db2.gz ZQUAFSFNWJTDDO-UHFFFAOYSA-N 1 1 413.525 4.354 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541703704 939609826 /nfs/dbraw/zinc/60/98/26/939609826.db2.gz NSFLNGQIJLTDCY-UYAOXDASSA-N 1 1 401.869 4.141 20 30 HIEDMO Cn1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccc(Cl)cc2)n1 ZINC000541735574 939617152 /nfs/dbraw/zinc/61/71/52/939617152.db2.gz XNOPKTAWVKIGOQ-AUSIDOKSSA-N 1 1 423.923 4.432 20 30 HIEDMO Cn1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccc(Cl)cc2)n1 ZINC000541735577 939617225 /nfs/dbraw/zinc/61/72/25/939617225.db2.gz XNOPKTAWVKIGOQ-XXBNENTESA-N 1 1 423.923 4.432 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C2CC2)cc1 ZINC000542242460 939770876 /nfs/dbraw/zinc/77/08/76/939770876.db2.gz GYCNLWIXHWIJQA-UHFFFAOYSA-N 1 1 419.916 4.060 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C2CC2)cc1 ZINC000542242460 939770880 /nfs/dbraw/zinc/77/08/80/939770880.db2.gz GYCNLWIXHWIJQA-UHFFFAOYSA-N 1 1 419.916 4.060 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542726297 939857137 /nfs/dbraw/zinc/85/71/37/939857137.db2.gz OUSCNSYODUHQHO-UHFFFAOYSA-N 1 1 400.482 4.160 20 30 HIEDMO N#Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C2CC2)cc1 ZINC000543356556 940040614 /nfs/dbraw/zinc/04/06/14/940040614.db2.gz SGPOPFUVZPHIGK-UHFFFAOYSA-N 1 1 424.495 4.175 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000563770875 945293236 /nfs/dbraw/zinc/29/32/36/945293236.db2.gz PEFBXMXRGIOUNM-HNNXBMFYSA-N 1 1 405.420 4.053 20 30 HIEDMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000563770875 945293245 /nfs/dbraw/zinc/29/32/45/945293245.db2.gz PEFBXMXRGIOUNM-HNNXBMFYSA-N 1 1 405.420 4.053 20 30 HIEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000543459420 940069497 /nfs/dbraw/zinc/06/94/97/940069497.db2.gz DTEWHHIOAQGQNP-JTQLQIEISA-N 1 1 402.367 4.386 20 30 HIEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)n1 ZINC000543477284 940077783 /nfs/dbraw/zinc/07/77/83/940077783.db2.gz QYYQMTWUUPTBLP-ORAYPTAESA-N 1 1 400.573 4.383 20 30 HIEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nc(C)cs1 ZINC000543488464 940081001 /nfs/dbraw/zinc/08/10/01/940081001.db2.gz OZCPASJADXMLPO-FQEVSTJZSA-N 1 1 421.570 4.469 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000543504345 940088517 /nfs/dbraw/zinc/08/85/17/940088517.db2.gz MEKRDNYRWJNIOG-CQSZACIVSA-N 1 1 415.950 4.078 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(F)cc2)c1 ZINC000544084182 940321876 /nfs/dbraw/zinc/32/18/76/940321876.db2.gz OSWWSUNQJZEMBH-QHCPKHFHSA-N 1 1 408.498 4.174 20 30 HIEDMO C=C(C)[C@@H](Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)OCC ZINC000545766909 940584719 /nfs/dbraw/zinc/58/47/19/940584719.db2.gz FYQCSMJECQNHHU-LJQANCHMSA-N 1 1 404.942 4.056 20 30 HIEDMO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000546362707 940801899 /nfs/dbraw/zinc/80/18/99/940801899.db2.gz IXJMPSMEZFHAKJ-FQEVSTJZSA-N 1 1 420.488 4.171 20 30 HIEDMO CC[C@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000546580164 940857219 /nfs/dbraw/zinc/85/72/19/940857219.db2.gz XIQMGFCRQLBSOL-OAQYLSRUSA-N 1 1 404.514 4.397 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546588064 940858641 /nfs/dbraw/zinc/85/86/41/940858641.db2.gz FASLYRYTHDKXCL-UHFFFAOYSA-N 1 1 410.315 4.439 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCCCC1 ZINC000548388570 941099219 /nfs/dbraw/zinc/09/92/19/941099219.db2.gz VPLFNTRWLQSQJK-UHFFFAOYSA-N 1 1 415.588 4.295 20 30 HIEDMO N#Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnc1C(F)(F)F ZINC000549743930 941206253 /nfs/dbraw/zinc/20/62/53/941206253.db2.gz KEFQPMFVRLMCSI-KRWDZBQOSA-N 1 1 422.838 4.192 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1 ZINC000550263879 941305787 /nfs/dbraw/zinc/30/57/87/941305787.db2.gz TZSQTFWSVWJBCP-QZTJIDSGSA-N 1 1 411.468 4.241 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000550358654 941317990 /nfs/dbraw/zinc/31/79/90/941317990.db2.gz DTYRHIXANPUAKO-BBWFWOEESA-N 1 1 416.635 4.124 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)nc(C)n2)cc1OCC ZINC000551228035 941431180 /nfs/dbraw/zinc/43/11/80/941431180.db2.gz VAWYGUHXUSKIIC-UHFFFAOYSA-N 1 1 406.324 4.109 20 30 HIEDMO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263486 941438633 /nfs/dbraw/zinc/43/86/33/941438633.db2.gz RMMKJOHSXXCUKW-KNQAVFIVSA-N 1 1 407.533 4.277 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C(F)(F)F)C1 ZINC000552904500 941800785 /nfs/dbraw/zinc/80/07/85/941800785.db2.gz ZQYQICZRLOEXAA-HZPDHXFCSA-N 1 1 420.397 4.082 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000553026182 941818960 /nfs/dbraw/zinc/81/89/60/941818960.db2.gz FGFJJTYHWQROPF-HNNXBMFYSA-N 1 1 423.492 4.189 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554644991 942185593 /nfs/dbraw/zinc/18/55/93/942185593.db2.gz PFAVWIKNEYRJDU-GOSISDBHSA-N 1 1 415.557 4.300 20 30 HIEDMO Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(N2CCCC2)[nH+]1 ZINC000555168904 942413825 /nfs/dbraw/zinc/41/38/25/942413825.db2.gz YDSYWKKQQBYFAV-UHFFFAOYSA-N 1 1 405.546 4.230 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000555267250 942455190 /nfs/dbraw/zinc/45/51/90/942455190.db2.gz SIBLERWNAVHSRG-SFHVURJKSA-N 1 1 423.586 4.475 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556976256 942986379 /nfs/dbraw/zinc/98/63/79/942986379.db2.gz JTNVDWZUHMNYQI-UNMCSNQZSA-N 1 1 417.887 4.373 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556976256 942986384 /nfs/dbraw/zinc/98/63/84/942986384.db2.gz JTNVDWZUHMNYQI-UNMCSNQZSA-N 1 1 417.887 4.373 20 30 HIEDMO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000557430292 943122024 /nfs/dbraw/zinc/12/20/24/943122024.db2.gz WVWVEDPVRHBPFX-ZWKOTPCHSA-N 1 1 416.997 4.197 20 30 HIEDMO N#Cc1ccc(SCC(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC000557483217 943158572 /nfs/dbraw/zinc/15/85/72/943158572.db2.gz GXVIWSAJNVBTHW-UHFFFAOYSA-N 1 1 400.507 4.247 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000558587885 943609947 /nfs/dbraw/zinc/60/99/47/943609947.db2.gz DBSYJVYPHAWQRW-UHFFFAOYSA-N 1 1 424.548 4.411 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000558981742 943783516 /nfs/dbraw/zinc/78/35/16/943783516.db2.gz KGBAZSBYUJFCLR-KRWDZBQOSA-N 1 1 413.616 4.451 20 30 HIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000560195259 944193785 /nfs/dbraw/zinc/19/37/85/944193785.db2.gz AMWIVXZLBMEXFV-UHFFFAOYSA-N 1 1 402.951 4.123 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000560763182 944324912 /nfs/dbraw/zinc/32/49/12/944324912.db2.gz XMJWBFAHGQNYBV-SANMLTNESA-N 1 1 417.553 4.232 20 30 HIEDMO N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000561075729 944430740 /nfs/dbraw/zinc/43/07/40/944430740.db2.gz UYQUUDWLVJUIOH-SANMLTNESA-N 1 1 424.548 4.455 20 30 HIEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000561086222 944439107 /nfs/dbraw/zinc/43/91/07/944439107.db2.gz YQLZSSZIWHLDDB-OAQYLSRUSA-N 1 1 405.523 4.032 20 30 HIEDMO N#CCc1cccc(Br)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564398030 945555025 /nfs/dbraw/zinc/55/50/25/945555025.db2.gz YMRDNZUXUUQFQH-LJQANCHMSA-N 1 1 415.331 4.185 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000564592975 945692525 /nfs/dbraw/zinc/69/25/25/945692525.db2.gz GIWLEUXGXDWYJK-LJQANCHMSA-N 1 1 423.866 4.496 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000564592975 945692533 /nfs/dbraw/zinc/69/25/33/945692533.db2.gz GIWLEUXGXDWYJK-LJQANCHMSA-N 1 1 423.866 4.496 20 30 HIEDMO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000564663755 945721586 /nfs/dbraw/zinc/72/15/86/945721586.db2.gz NVSVIYCYNXMNFR-UHFFFAOYSA-N 1 1 420.536 4.495 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)c1 ZINC000567936395 946427644 /nfs/dbraw/zinc/42/76/44/946427644.db2.gz VVXFPMBBQOZTNR-UHFFFAOYSA-N 1 1 422.435 4.342 20 30 HIEDMO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000570228187 947151400 /nfs/dbraw/zinc/15/14/00/947151400.db2.gz KYOQNVPTSWBVDE-QFIPXVFZSA-N 1 1 409.578 4.087 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c1C#N ZINC000570244569 947165190 /nfs/dbraw/zinc/16/51/90/947165190.db2.gz PSPFWNDEQKIUTC-UHFFFAOYSA-N 1 1 407.562 4.228 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C)c1C#N ZINC000570244569 947165216 /nfs/dbraw/zinc/16/52/16/947165216.db2.gz PSPFWNDEQKIUTC-UHFFFAOYSA-N 1 1 407.562 4.228 20 30 HIEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000571421517 947639696 /nfs/dbraw/zinc/63/96/96/947639696.db2.gz RJKWHTYDYKIKMQ-UHFFFAOYSA-N 1 1 419.550 4.337 20 30 HIEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000571421517 947639716 /nfs/dbraw/zinc/63/97/16/947639716.db2.gz RJKWHTYDYKIKMQ-UHFFFAOYSA-N 1 1 419.550 4.337 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000573989587 948341972 /nfs/dbraw/zinc/34/19/72/948341972.db2.gz WODHTDSLMVBMIY-UHFFFAOYSA-N 1 1 417.513 4.006 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000574559483 948474664 /nfs/dbraw/zinc/47/46/64/948474664.db2.gz XPTGTNFKYNSRKE-QFBILLFUSA-N 1 1 411.477 4.003 20 30 HIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627914 719062193 /nfs/dbraw/zinc/06/21/93/719062193.db2.gz RLKGZHATKIQSCT-UWJYYQICSA-N 1 1 403.917 4.256 20 30 HIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626620 719071368 /nfs/dbraw/zinc/07/13/68/719071368.db2.gz OVIVXCRGUNDGSM-APWZRJJASA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628836 719090316 /nfs/dbraw/zinc/09/03/16/719090316.db2.gz OXGQIWUYJCALLE-VQIMIIECSA-N 1 1 402.876 4.252 20 30 HIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811702 720207068 /nfs/dbraw/zinc/20/70/68/720207068.db2.gz JSSHASXSVFVSHS-UUOWRZLLSA-N 1 1 424.976 4.253 20 30 HIEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722410 720482150 /nfs/dbraw/zinc/48/21/50/720482150.db2.gz AFQXPHILTMTKGB-VQTJNVASSA-N 1 1 407.880 4.147 20 30 HIEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909898 721552183 /nfs/dbraw/zinc/55/21/83/721552183.db2.gz VDLGEOZVZMWZSK-SJLPKXTDSA-N 1 1 422.891 4.241 20 30 HIEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904743 721563644 /nfs/dbraw/zinc/56/36/44/721563644.db2.gz FLIPNTITNFIPSL-QUCCMNQESA-N 1 1 422.891 4.241 20 30 HIEDMO N#Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907779 721724049 /nfs/dbraw/zinc/72/40/49/721724049.db2.gz UBZCCYIEUPZOEK-HSZRJFAPSA-N 1 1 419.479 4.239 20 30 HIEDMO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994069 722207289 /nfs/dbraw/zinc/20/72/89/722207289.db2.gz FHKFHKWYTLJJKU-RUZDIDTESA-N 1 1 413.500 4.399 20 30 HIEDMO COc1cc(CCC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc(OC)c1 ZINC000010028188 845613507 /nfs/dbraw/zinc/61/35/07/845613507.db2.gz FXMPKDOZEDZCRM-GOSISDBHSA-N 1 1 421.541 4.247 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000010988548 845738188 /nfs/dbraw/zinc/73/81/88/845738188.db2.gz SGDKUQMDVSRFCA-UHFFFAOYSA-N 1 1 421.541 4.013 20 30 HIEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000012807532 845891309 /nfs/dbraw/zinc/89/13/09/845891309.db2.gz FORVVRCNXNTWMY-UHFFFAOYSA-N 1 1 402.498 4.045 20 30 HIEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000012807532 845891313 /nfs/dbraw/zinc/89/13/13/845891313.db2.gz FORVVRCNXNTWMY-UHFFFAOYSA-N 1 1 402.498 4.045 20 30 HIEDMO C[N@@H+](CCOc1ccccc1F)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015046099 846003895 /nfs/dbraw/zinc/00/38/95/846003895.db2.gz ONWJLYRNTIYSEP-UHFFFAOYSA-N 1 1 415.534 4.367 20 30 HIEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015312525 846032949 /nfs/dbraw/zinc/03/29/49/846032949.db2.gz CXJUQLDOXCIRNU-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000015312525 846032956 /nfs/dbraw/zinc/03/29/56/846032956.db2.gz CXJUQLDOXCIRNU-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc2c(c1)OCO2 ZINC000019541955 846367978 /nfs/dbraw/zinc/36/79/78/846367978.db2.gz JPPCKLLCPNBWRF-UHFFFAOYSA-N 1 1 411.527 4.078 20 30 HIEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000022850561 846628651 /nfs/dbraw/zinc/62/86/51/846628651.db2.gz VTIKQDWHFGOOIZ-UHFFFAOYSA-N 1 1 414.347 4.037 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026214640 847103671 /nfs/dbraw/zinc/10/36/71/847103671.db2.gz VLYBPIMEGQQBTA-LBPRGKRZSA-N 1 1 418.360 4.330 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026214640 847103680 /nfs/dbraw/zinc/10/36/80/847103680.db2.gz VLYBPIMEGQQBTA-LBPRGKRZSA-N 1 1 418.360 4.330 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027571939 847321398 /nfs/dbraw/zinc/32/13/98/847321398.db2.gz OMZRVHVGKMSTQW-GOSISDBHSA-N 1 1 409.555 4.254 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027571939 847321401 /nfs/dbraw/zinc/32/14/01/847321401.db2.gz OMZRVHVGKMSTQW-GOSISDBHSA-N 1 1 409.555 4.254 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1 ZINC000029984051 847664057 /nfs/dbraw/zinc/66/40/57/847664057.db2.gz QITKMGVPSYNCAX-UHFFFAOYSA-N 1 1 412.537 4.266 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1 ZINC000029984051 847664060 /nfs/dbraw/zinc/66/40/60/847664060.db2.gz QITKMGVPSYNCAX-UHFFFAOYSA-N 1 1 412.537 4.266 20 30 HIEDMO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984216 847664441 /nfs/dbraw/zinc/66/44/41/847664441.db2.gz MSFGCOSSEPCJBG-KRWDZBQOSA-N 1 1 413.974 4.427 20 30 HIEDMO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029984216 847664451 /nfs/dbraw/zinc/66/44/51/847664451.db2.gz MSFGCOSSEPCJBG-KRWDZBQOSA-N 1 1 413.974 4.427 20 30 HIEDMO N#Cc1ccccc1Sc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030317579 847702500 /nfs/dbraw/zinc/70/25/00/847702500.db2.gz GGOZHBQPSGBRBU-UHFFFAOYSA-N 1 1 413.546 4.498 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046437126 848847816 /nfs/dbraw/zinc/84/78/16/848847816.db2.gz LBSWRQSLEPCFRX-BGYRXZFFSA-N 1 1 405.542 4.220 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046437126 848847817 /nfs/dbraw/zinc/84/78/17/848847817.db2.gz LBSWRQSLEPCFRX-BGYRXZFFSA-N 1 1 405.542 4.220 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047127611 848990523 /nfs/dbraw/zinc/99/05/23/848990523.db2.gz MGTAXFLHBIWFDH-NHCUHLMSSA-N 1 1 407.558 4.194 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161886 849183806 /nfs/dbraw/zinc/18/38/06/849183806.db2.gz UCZYPQWWEYPFHB-LJQANCHMSA-N 1 1 406.530 4.328 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000052800931 849629016 /nfs/dbraw/zinc/62/90/16/849629016.db2.gz AFUKBPHTXJJKOC-UHFFFAOYSA-N 1 1 416.497 4.024 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000052800931 849629019 /nfs/dbraw/zinc/62/90/19/849629019.db2.gz AFUKBPHTXJJKOC-UHFFFAOYSA-N 1 1 416.497 4.024 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011711 849797660 /nfs/dbraw/zinc/79/76/60/849797660.db2.gz YQKRLWKNLDDTAJ-UHFFFAOYSA-N 1 1 418.545 4.353 20 30 HIEDMO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055158415 849979217 /nfs/dbraw/zinc/97/92/17/849979217.db2.gz FTWZZQUMWRNJNF-UHFFFAOYSA-N 1 1 411.933 4.347 20 30 HIEDMO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055158415 849979226 /nfs/dbraw/zinc/97/92/26/849979226.db2.gz FTWZZQUMWRNJNF-UHFFFAOYSA-N 1 1 411.933 4.347 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000055512851 850043481 /nfs/dbraw/zinc/04/34/81/850043481.db2.gz DYPBPKWROBKZNT-UHFFFAOYSA-N 1 1 412.537 4.220 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000056213650 850285617 /nfs/dbraw/zinc/28/56/17/850285617.db2.gz CWZAIUSNTRBSDT-ROUUACIJSA-N 1 1 407.514 4.207 20 30 HIEDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000058427965 850822041 /nfs/dbraw/zinc/82/20/41/850822041.db2.gz DSODFWVSHKDDEI-UHFFFAOYSA-N 1 1 419.529 4.149 20 30 HIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063559716 851714159 /nfs/dbraw/zinc/71/41/59/851714159.db2.gz LYOIYRJKQAENJF-UHFFFAOYSA-N 1 1 401.514 4.130 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(C#N)cc1 ZINC000063750831 851754303 /nfs/dbraw/zinc/75/43/03/851754303.db2.gz NVDGNKIVFJKZGH-UHFFFAOYSA-N 1 1 413.905 4.222 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(C#N)cc1 ZINC000063750831 851754313 /nfs/dbraw/zinc/75/43/13/851754313.db2.gz NVDGNKIVFJKZGH-UHFFFAOYSA-N 1 1 413.905 4.222 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000065959838 852333123 /nfs/dbraw/zinc/33/31/23/852333123.db2.gz PEIDRIFZGIBBMU-UHFFFAOYSA-N 1 1 418.291 4.027 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000065959838 852333131 /nfs/dbraw/zinc/33/31/31/852333131.db2.gz PEIDRIFZGIBBMU-UHFFFAOYSA-N 1 1 418.291 4.027 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000071818036 852411656 /nfs/dbraw/zinc/41/16/56/852411656.db2.gz YRJGYSOAACJTIO-IBGZPJMESA-N 1 1 411.889 4.149 20 30 HIEDMO Cc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000071966275 852449182 /nfs/dbraw/zinc/44/91/82/852449182.db2.gz UILOXIXWIFWOES-UZLBHIALSA-N 1 1 413.484 4.119 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097444374 852612612 /nfs/dbraw/zinc/61/26/12/852612612.db2.gz CGDJIBKBZQBYLS-UHFFFAOYSA-N 1 1 424.451 4.152 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110198530 853071190 /nfs/dbraw/zinc/07/11/90/853071190.db2.gz UCUPKTZQEQITED-RUZDIDTESA-N 1 1 419.569 4.129 20 30 HIEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000115674811 853259759 /nfs/dbraw/zinc/25/97/59/853259759.db2.gz PYNAWXURSDHIRW-LJQANCHMSA-N 1 1 411.509 4.089 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000149883314 853633459 /nfs/dbraw/zinc/63/34/59/853633459.db2.gz PXGWQDPXNXFGJU-FQEVSTJZSA-N 1 1 407.562 4.075 20 30 HIEDMO CC[NH+](CC)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000236897999 853934087 /nfs/dbraw/zinc/93/40/87/853934087.db2.gz BCGFXWAXKJKEQM-HXUWFJFHSA-N 1 1 415.463 4.397 20 30 HIEDMO Cc1ccc(N2CCC(Nc3c(C#N)cnc4ccc(OC(F)F)cc43)CC2)[nH+]c1 ZINC000301384496 854378723 /nfs/dbraw/zinc/37/87/23/854378723.db2.gz BSAHJDFEDKQZBV-UHFFFAOYSA-N 1 1 409.440 4.492 20 30 HIEDMO N#Cc1nc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ccc1Cl ZINC000301638377 854434477 /nfs/dbraw/zinc/43/44/77/854434477.db2.gz AOCQJVOHZFULIP-UHFFFAOYSA-N 1 1 405.727 4.446 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301659581 854438969 /nfs/dbraw/zinc/43/89/69/854438969.db2.gz CBWXRTUCFMRPAL-MOPGFXCFSA-N 1 1 400.448 4.463 20 30 HIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC(Oc4ccc(C#N)cc4)C3)c2c1C ZINC000302128029 854533985 /nfs/dbraw/zinc/53/39/85/854533985.db2.gz ADSRBRLXXSECKH-UHFFFAOYSA-N 1 1 419.554 4.043 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCCCc3ccccc3)CC2)cc1 ZINC000303228401 854826475 /nfs/dbraw/zinc/82/64/75/854826475.db2.gz WZSZDYLLOZIHFY-UHFFFAOYSA-N 1 1 404.558 4.189 20 30 HIEDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303616031 855079320 /nfs/dbraw/zinc/07/93/20/855079320.db2.gz ZTOOKNXXBNBLCY-UHFFFAOYSA-N 1 1 416.635 4.271 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1Cl ZINC000303693787 855137326 /nfs/dbraw/zinc/13/73/26/855137326.db2.gz QGGWGVXUVZDJSH-UHFFFAOYSA-N 1 1 413.749 4.357 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740035 855164857 /nfs/dbraw/zinc/16/48/57/855164857.db2.gz YUECUFZMDKJVCH-MEKIYTOJSA-N 1 1 413.583 4.342 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000303863065 855257941 /nfs/dbraw/zinc/25/79/41/855257941.db2.gz WUFQODYRZYZNDP-JWQCQUIFSA-N 1 1 416.569 4.187 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000303936957 855303796 /nfs/dbraw/zinc/30/37/96/855303796.db2.gz YADVBQFGZZOQDE-UXHICEINSA-N 1 1 422.598 4.083 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000409650873 855583327 /nfs/dbraw/zinc/58/33/27/855583327.db2.gz ITDRFTFDKGGWBK-LJQANCHMSA-N 1 1 412.578 4.133 20 30 HIEDMO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000409814863 855668181 /nfs/dbraw/zinc/66/81/81/855668181.db2.gz YXRYASIZHQNAGL-AUSIDOKSSA-N 1 1 413.525 4.042 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)CCOCC1 ZINC000410418045 855986874 /nfs/dbraw/zinc/98/68/74/855986874.db2.gz MNRVXHVMJGGLIE-INIZCTEOSA-N 1 1 421.467 4.028 20 30 HIEDMO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000426420961 856282619 /nfs/dbraw/zinc/28/26/19/856282619.db2.gz PJCUXZZAIWMCSQ-YLJYHZDGSA-N 1 1 410.587 4.333 20 30 HIEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000427005491 856591043 /nfs/dbraw/zinc/59/10/43/856591043.db2.gz SWUSUNKYSAULPY-SFHVURJKSA-N 1 1 401.432 4.111 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000427009087 856593212 /nfs/dbraw/zinc/59/32/12/856593212.db2.gz PEWFOCUQQCZXEY-IRXDYDNUSA-N 1 1 417.619 4.458 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)sc2c1CCCC2 ZINC000437513386 862861427 /nfs/dbraw/zinc/86/14/27/862861427.db2.gz HHAXOVGQJZBJAL-LJQANCHMSA-N 1 1 423.582 4.161 20 30 HIEDMO C=C(C)COc1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546605 857256878 /nfs/dbraw/zinc/25/68/78/857256878.db2.gz KYRLEMGUNLGKIE-QHCPKHFHSA-N 1 1 410.558 4.031 20 30 HIEDMO C=C(C)COc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)ccc1OC ZINC000428546605 857256891 /nfs/dbraw/zinc/25/68/91/857256891.db2.gz KYRLEMGUNLGKIE-QHCPKHFHSA-N 1 1 410.558 4.031 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786395 857338935 /nfs/dbraw/zinc/33/89/35/857338935.db2.gz ICXKHJGRUKWDGM-JTHBVZDNSA-N 1 1 423.476 4.246 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786395 857338939 /nfs/dbraw/zinc/33/89/39/857338939.db2.gz ICXKHJGRUKWDGM-JTHBVZDNSA-N 1 1 423.476 4.246 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429238229 857569548 /nfs/dbraw/zinc/56/95/48/857569548.db2.gz QMRKIBHPXFILRR-HNNXBMFYSA-N 1 1 412.515 4.452 20 30 HIEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429494222 857695964 /nfs/dbraw/zinc/69/59/64/857695964.db2.gz REOPDIKCFNGZNB-HSZRJFAPSA-N 1 1 404.558 4.173 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c1C#N ZINC000429552137 857744201 /nfs/dbraw/zinc/74/42/01/857744201.db2.gz IGSHMDDOZPVLQN-UHFFFAOYSA-N 1 1 413.525 4.179 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)nc1 ZINC000430154882 858055808 /nfs/dbraw/zinc/05/58/08/858055808.db2.gz JFFKUEYPHZCEPX-KRWDZBQOSA-N 1 1 424.844 4.428 20 30 HIEDMO CSc1cc(Br)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430168939 858063418 /nfs/dbraw/zinc/06/34/18/858063418.db2.gz USANIELFDQTTFN-INIZCTEOSA-N 1 1 404.333 4.091 20 30 HIEDMO CSc1cc(Br)ccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430168939 858063428 /nfs/dbraw/zinc/06/34/28/858063428.db2.gz USANIELFDQTTFN-INIZCTEOSA-N 1 1 404.333 4.091 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430260131 858099218 /nfs/dbraw/zinc/09/92/18/858099218.db2.gz RQKWKVYUHPXFSN-UHFFFAOYSA-N 1 1 410.905 4.035 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430260131 858099223 /nfs/dbraw/zinc/09/92/23/858099223.db2.gz RQKWKVYUHPXFSN-UHFFFAOYSA-N 1 1 410.905 4.035 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430671305 858261900 /nfs/dbraw/zinc/26/19/00/858261900.db2.gz WJNNOFOMGUZJFR-UCFCWBNQSA-N 1 1 405.542 4.131 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914566 858368751 /nfs/dbraw/zinc/36/87/51/858368751.db2.gz LRHTUKMTVZNKOI-YKSBVNFPSA-N 1 1 423.532 4.185 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914566 858368759 /nfs/dbraw/zinc/36/87/59/858368759.db2.gz LRHTUKMTVZNKOI-YKSBVNFPSA-N 1 1 423.532 4.185 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431700317 858749343 /nfs/dbraw/zinc/74/93/43/858749343.db2.gz VBNPCNWFSNHNMZ-KNQAVFIVSA-N 1 1 422.529 4.346 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917218 858869343 /nfs/dbraw/zinc/86/93/43/858869343.db2.gz UTCMXUJBBNSURY-XZOQPEGZSA-N 1 1 422.598 4.338 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917218 858869350 /nfs/dbraw/zinc/86/93/50/858869350.db2.gz UTCMXUJBBNSURY-XZOQPEGZSA-N 1 1 422.598 4.338 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000431928908 858874654 /nfs/dbraw/zinc/87/46/54/858874654.db2.gz XADXAPFLVGLLBJ-UHFFFAOYSA-N 1 1 415.497 4.308 20 30 HIEDMO CC1(C)C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000432150407 859016622 /nfs/dbraw/zinc/01/66/22/859016622.db2.gz MHEJUTAJLGRLHL-QHCPKHFHSA-N 1 1 402.542 4.198 20 30 HIEDMO Cc1cnc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)s1 ZINC000433146037 859540695 /nfs/dbraw/zinc/54/06/95/859540695.db2.gz JWXXAWXKOGTBQQ-UHFFFAOYSA-N 1 1 402.951 4.231 20 30 HIEDMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000467644338 881438968 /nfs/dbraw/zinc/43/89/68/881438968.db2.gz AYIJUHBAXIADJJ-UHFFFAOYSA-N 1 1 422.529 4.094 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)o2)cc1 ZINC000433292849 859622344 /nfs/dbraw/zinc/62/23/44/859622344.db2.gz ANASOXRSSYOXLX-QGZVFWFLSA-N 1 1 423.314 4.435 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433307898 859630878 /nfs/dbraw/zinc/63/08/78/859630878.db2.gz WFLUEHLKDDHMFP-QGZVFWFLSA-N 1 1 412.331 4.214 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433319638 859637124 /nfs/dbraw/zinc/63/71/24/859637124.db2.gz PDBDSZNJTOLTGV-IEBWSBKVSA-N 1 1 411.933 4.473 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433319638 859637149 /nfs/dbraw/zinc/63/71/49/859637149.db2.gz PDBDSZNJTOLTGV-IEBWSBKVSA-N 1 1 411.933 4.473 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433319637 859637677 /nfs/dbraw/zinc/63/76/77/859637677.db2.gz PDBDSZNJTOLTGV-HKUYNNGSSA-N 1 1 411.933 4.473 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433319637 859637686 /nfs/dbraw/zinc/63/76/86/859637686.db2.gz PDBDSZNJTOLTGV-HKUYNNGSSA-N 1 1 411.933 4.473 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467697276 881490821 /nfs/dbraw/zinc/49/08/21/881490821.db2.gz RMQXIDAJCDZPIM-AVRDEDQJSA-N 1 1 415.493 4.123 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324310 860284911 /nfs/dbraw/zinc/28/49/11/860284911.db2.gz CKLZEUZGIIZKIQ-GOSISDBHSA-N 1 1 421.451 4.041 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000435124295 860651650 /nfs/dbraw/zinc/65/16/50/860651650.db2.gz NXFQAYRQGHYLNS-FQEVSTJZSA-N 1 1 417.488 4.093 20 30 HIEDMO COc1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1SC ZINC000435124543 860652166 /nfs/dbraw/zinc/65/21/66/860652166.db2.gz QLOWBGFCUHFRJE-UHFFFAOYSA-N 1 1 407.543 4.221 20 30 HIEDMO N#CCSc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435366312 860765170 /nfs/dbraw/zinc/76/51/70/860765170.db2.gz LBFTZXUGYWTACY-FQEVSTJZSA-N 1 1 417.538 4.198 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462281 860806928 /nfs/dbraw/zinc/80/69/28/860806928.db2.gz BRKJNIGIMFCYCE-KXBFYZLASA-N 1 1 405.420 4.291 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435563702 860885359 /nfs/dbraw/zinc/88/53/59/860885359.db2.gz NAANONFZTGVWEW-JOCHJYFZSA-N 1 1 421.545 4.259 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000438346216 863816729 /nfs/dbraw/zinc/81/67/29/863816729.db2.gz CDXBNOGOSAJAII-UHFFFAOYSA-N 1 1 407.514 4.336 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1Cc1ccccc1 ZINC000438456536 863880065 /nfs/dbraw/zinc/88/00/65/863880065.db2.gz QNINDOOKPCRZAN-CTNGQTDRSA-N 1 1 422.598 4.226 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@@H](C)O1 ZINC000439548159 864875080 /nfs/dbraw/zinc/87/50/80/864875080.db2.gz KLEDPRFDNBZCFM-HZPDHXFCSA-N 1 1 401.457 4.381 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556791 864882437 /nfs/dbraw/zinc/88/24/37/864882437.db2.gz HSDSVKQPNHJPHJ-FCHUYYIVSA-N 1 1 418.585 4.343 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556791 864882439 /nfs/dbraw/zinc/88/24/39/864882439.db2.gz HSDSVKQPNHJPHJ-FCHUYYIVSA-N 1 1 418.585 4.343 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579880 864899986 /nfs/dbraw/zinc/89/99/86/864899986.db2.gz HDNHFKYPBPOPRQ-WOJBJXKFSA-N 1 1 422.495 4.144 20 30 HIEDMO CCOc1ccccc1C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 ZINC000440666024 865860761 /nfs/dbraw/zinc/86/07/61/865860761.db2.gz GRCSYBLVYSLNFZ-OAHLLOKOSA-N 1 1 404.436 4.081 20 30 HIEDMO CCOc1ccccc1C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 ZINC000440666024 865860762 /nfs/dbraw/zinc/86/07/62/865860762.db2.gz GRCSYBLVYSLNFZ-OAHLLOKOSA-N 1 1 404.436 4.081 20 30 HIEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440677141 865862943 /nfs/dbraw/zinc/86/29/43/865862943.db2.gz XJILVSFOSGWOPH-OAHLLOKOSA-N 1 1 422.330 4.147 20 30 HIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000441071384 866161645 /nfs/dbraw/zinc/16/16/45/866161645.db2.gz HULNQFBKOWVDTK-OAHLLOKOSA-N 1 1 422.476 4.288 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000441071384 866161658 /nfs/dbraw/zinc/16/16/58/866161658.db2.gz HULNQFBKOWVDTK-OAHLLOKOSA-N 1 1 422.476 4.288 20 30 HIEDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000441105281 866202438 /nfs/dbraw/zinc/20/24/38/866202438.db2.gz QJLUWGRNDPHUDA-HXUWFJFHSA-N 1 1 410.587 4.181 20 30 HIEDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000441105281 866202464 /nfs/dbraw/zinc/20/24/64/866202464.db2.gz QJLUWGRNDPHUDA-HXUWFJFHSA-N 1 1 410.587 4.181 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441329817 866401786 /nfs/dbraw/zinc/40/17/86/866401786.db2.gz DTMXVXDBXLXXGR-MBSDFSHPSA-N 1 1 408.521 4.364 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1C ZINC000441344048 866415150 /nfs/dbraw/zinc/41/51/50/866415150.db2.gz XFWYAHBARBWWDQ-DEOSSOPVSA-N 1 1 404.558 4.453 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368536 866437783 /nfs/dbraw/zinc/43/77/83/866437783.db2.gz ZPWRJQVPUSGEHE-XZOQPEGZSA-N 1 1 410.558 4.067 20 30 HIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000444236743 868686153 /nfs/dbraw/zinc/68/61/53/868686153.db2.gz JJKDANPAQKTPOQ-INIZCTEOSA-N 1 1 411.571 4.399 20 30 HIEDMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444665829 868943658 /nfs/dbraw/zinc/94/36/58/868943658.db2.gz PWPKRVYVWWXVKV-NSHDSACASA-N 1 1 403.820 4.246 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702462 868963877 /nfs/dbraw/zinc/96/38/77/868963877.db2.gz IPPRXADJKFTLKV-CYBMUJFWSA-N 1 1 404.308 4.298 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702462 868963883 /nfs/dbraw/zinc/96/38/83/868963883.db2.gz IPPRXADJKFTLKV-CYBMUJFWSA-N 1 1 404.308 4.298 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445894698 869876158 /nfs/dbraw/zinc/87/61/58/869876158.db2.gz RCSVISCQCUJKGV-GOSISDBHSA-N 1 1 414.303 4.105 20 30 HIEDMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541274 882578259 /nfs/dbraw/zinc/57/82/59/882578259.db2.gz FOCCDVNGGDDWIB-CQSZACIVSA-N 1 1 414.365 4.381 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448204512 872094663 /nfs/dbraw/zinc/09/46/63/872094663.db2.gz OHFMIJYFYGBEKK-RDGATRHJSA-N 1 1 415.537 4.226 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC000448283085 872208393 /nfs/dbraw/zinc/20/83/93/872208393.db2.gz XAXRKLSHORMBPH-NRFANRHFSA-N 1 1 421.589 4.178 20 30 HIEDMO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460373615 873010877 /nfs/dbraw/zinc/01/08/77/873010877.db2.gz DZWKDHATEFGFGD-XMSQKQJNSA-N 1 1 404.562 4.236 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460374710 873012503 /nfs/dbraw/zinc/01/25/03/873012503.db2.gz MBKLGEQCSSZVMQ-WIOPSUGQSA-N 1 1 421.589 4.198 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460380206 873022436 /nfs/dbraw/zinc/02/24/36/873022436.db2.gz MDWFNCILHIJNAU-AVRDEDQJSA-N 1 1 406.578 4.093 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460541632 873240453 /nfs/dbraw/zinc/24/04/53/873240453.db2.gz AJJQOLHBHIPRSS-QFIPXVFZSA-N 1 1 402.546 4.017 20 30 HIEDMO CC(C)Cn1c(-c2ccccc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460598202 873339979 /nfs/dbraw/zinc/33/99/79/873339979.db2.gz GXFOWVWIUMLMKK-UHFFFAOYSA-N 1 1 414.557 4.185 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460770570 873617067 /nfs/dbraw/zinc/61/70/67/873617067.db2.gz RRLZLULMOPLWDX-BVSLBCMMSA-N 1 1 409.578 4.368 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460777798 873629832 /nfs/dbraw/zinc/62/98/32/873629832.db2.gz IXBQFKDHTIFLON-XXTHSBEZSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460782265 873638300 /nfs/dbraw/zinc/63/83/00/873638300.db2.gz AUISUXUYNVXTDY-SIKLNZKXSA-N 1 1 419.577 4.016 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961154 873857201 /nfs/dbraw/zinc/85/72/01/873857201.db2.gz UYBQRUUCMKHWKS-BVSLBCMMSA-N 1 1 409.578 4.195 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760854 882847485 /nfs/dbraw/zinc/84/74/85/882847485.db2.gz ANGPIRZITGNFQN-XXBNENTESA-N 1 1 402.542 4.202 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2F)c1 ZINC000462029290 875143598 /nfs/dbraw/zinc/14/35/98/875143598.db2.gz BXILWNLKSSSDGV-UHFFFAOYSA-N 1 1 420.444 4.112 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468974199 883040909 /nfs/dbraw/zinc/04/09/09/883040909.db2.gz MMRVLGDDTSDXJK-UHFFFAOYSA-N 1 1 409.440 4.375 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594191 876704759 /nfs/dbraw/zinc/70/47/59/876704759.db2.gz SQIUTBYKYPNYOJ-IAGOWNOFSA-N 1 1 422.504 4.252 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)c1cccc(C#N)c1 ZINC000463594191 876704762 /nfs/dbraw/zinc/70/47/62/876704762.db2.gz SQIUTBYKYPNYOJ-IAGOWNOFSA-N 1 1 422.504 4.252 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000463778178 876897936 /nfs/dbraw/zinc/89/79/36/876897936.db2.gz XLRAVJVGPJLDFL-UHFFFAOYSA-N 1 1 408.542 4.041 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503262030 912242900 /nfs/dbraw/zinc/24/29/00/912242900.db2.gz JIHMSJHCCCJFAB-NRFANRHFSA-N 1 1 419.550 4.096 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1C ZINC000464331949 877523333 /nfs/dbraw/zinc/52/33/33/877523333.db2.gz JBJAYXFOWCLUAA-QFIPXVFZSA-N 1 1 419.573 4.075 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2)cc1 ZINC000464346572 877537208 /nfs/dbraw/zinc/53/72/08/877537208.db2.gz NEOGCJNFBTYKOY-HSZRJFAPSA-N 1 1 403.526 4.132 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCc2cccs2)c1C#N ZINC000464761511 878003524 /nfs/dbraw/zinc/00/35/24/878003524.db2.gz OXADCEKIACQMME-UHFFFAOYSA-N 1 1 406.555 4.199 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCc2cccs2)c1C#N ZINC000464761511 878003545 /nfs/dbraw/zinc/00/35/45/878003545.db2.gz OXADCEKIACQMME-UHFFFAOYSA-N 1 1 406.555 4.199 20 30 HIEDMO Cc1ccc(CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]2CCCO2)cc1 ZINC000464779153 878022915 /nfs/dbraw/zinc/02/29/15/878022915.db2.gz QZWCCEUAGLWPLN-JOCHJYFZSA-N 1 1 402.498 4.140 20 30 HIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780532 878024399 /nfs/dbraw/zinc/02/43/99/878024399.db2.gz UDHWAIXCAGWJIB-PKOBYXMFSA-N 1 1 414.575 4.162 20 30 HIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000464795708 878042084 /nfs/dbraw/zinc/04/20/84/878042084.db2.gz RWKQWRYXNDYRQQ-NRFANRHFSA-N 1 1 403.526 4.463 20 30 HIEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)sc1C ZINC000464812232 878063574 /nfs/dbraw/zinc/06/35/74/878063574.db2.gz UWZRRBLFFQRXBR-UHFFFAOYSA-N 1 1 402.589 4.425 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464850896 878127091 /nfs/dbraw/zinc/12/70/91/878127091.db2.gz PIMCZKHIYVSDGC-LEWJYISDSA-N 1 1 422.548 4.057 20 30 HIEDMO C[N@@H+](Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000465712396 879282850 /nfs/dbraw/zinc/28/28/50/879282850.db2.gz BVBPVOKTCJVLHJ-UHFFFAOYSA-N 1 1 420.557 4.201 20 30 HIEDMO N#Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000466352449 880110551 /nfs/dbraw/zinc/11/05/51/880110551.db2.gz LARNHMCBLFJLHE-UHFFFAOYSA-N 1 1 403.442 4.198 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466602028 880372386 /nfs/dbraw/zinc/37/23/86/880372386.db2.gz QAHFBUVOIGPJRQ-UHFFFAOYSA-N 1 1 421.545 4.140 20 30 HIEDMO CCC[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466621885 880393258 /nfs/dbraw/zinc/39/32/58/880393258.db2.gz VUEHPLOQCYGXOH-NRFANRHFSA-N 1 1 421.545 4.283 20 30 HIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467058739 880845938 /nfs/dbraw/zinc/84/59/38/880845938.db2.gz QYZRSNPFMHJJFM-XMMPIXPASA-N 1 1 422.548 4.182 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000467190872 880916667 /nfs/dbraw/zinc/91/66/67/880916667.db2.gz JHVPGSKPTBHSLQ-UHFFFAOYSA-N 1 1 409.274 4.397 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000467190872 880916676 /nfs/dbraw/zinc/91/66/76/880916676.db2.gz JHVPGSKPTBHSLQ-UHFFFAOYSA-N 1 1 409.274 4.397 20 30 HIEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000467210274 880938950 /nfs/dbraw/zinc/93/89/50/880938950.db2.gz CRPWMKHYYZOSMB-KSZLIROESA-N 1 1 414.619 4.163 20 30 HIEDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467263646 881000627 /nfs/dbraw/zinc/00/06/27/881000627.db2.gz BJZODNWHTDCMKV-IBGZPJMESA-N 1 1 400.567 4.169 20 30 HIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269073 881007859 /nfs/dbraw/zinc/00/78/59/881007859.db2.gz QDXOJCREYITQRL-UHFFFAOYSA-N 1 1 403.320 4.102 20 30 HIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269073 881007872 /nfs/dbraw/zinc/00/78/72/881007872.db2.gz QDXOJCREYITQRL-UHFFFAOYSA-N 1 1 403.320 4.102 20 30 HIEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469179886 883279917 /nfs/dbraw/zinc/27/99/17/883279917.db2.gz MWIDHHQVSWDVEK-IBGZPJMESA-N 1 1 419.403 4.029 20 30 HIEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469179886 883279938 /nfs/dbraw/zinc/27/99/38/883279938.db2.gz MWIDHHQVSWDVEK-IBGZPJMESA-N 1 1 419.403 4.029 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nc2ccccc2o1 ZINC000469737094 883893858 /nfs/dbraw/zinc/89/38/58/883893858.db2.gz LQRHROCOBUBGRQ-UHFFFAOYSA-N 1 1 408.527 4.490 20 30 HIEDMO Cc1sc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccc(Cl)cc1 ZINC000469761344 883927121 /nfs/dbraw/zinc/92/71/21/883927121.db2.gz SSIVWMYPEGSGOL-OLZOCXBDSA-N 1 1 402.951 4.374 20 30 HIEDMO CC1(c2ccc(Cl)cc2)CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000470873431 885361073 /nfs/dbraw/zinc/36/10/73/885361073.db2.gz NHWYLCTVNXISCI-UHFFFAOYSA-N 1 1 402.947 4.039 20 30 HIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000470935844 885438747 /nfs/dbraw/zinc/43/87/47/885438747.db2.gz YPKFEWMGRPYUOP-UHFFFAOYSA-N 1 1 405.424 4.120 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](CCCO)[C@H]1CCCc3ccccc31)CCC2 ZINC000471032146 885539022 /nfs/dbraw/zinc/53/90/22/885539022.db2.gz OKJJKARVERYZMU-NRFANRHFSA-N 1 1 423.582 4.199 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471171836 885730027 /nfs/dbraw/zinc/73/00/27/885730027.db2.gz CAESCUXMMIAISA-SFHVURJKSA-N 1 1 408.550 4.023 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181243 885746013 /nfs/dbraw/zinc/74/60/13/885746013.db2.gz KRUNMVYXFHIMFQ-NRFANRHFSA-N 1 1 402.498 4.249 20 30 HIEDMO C[C@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000471465779 886152942 /nfs/dbraw/zinc/15/29/42/886152942.db2.gz CJNHPMCPPRMFGV-LJQANCHMSA-N 1 1 414.509 4.386 20 30 HIEDMO CC(C)[C@@H](CO)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000472252647 887063251 /nfs/dbraw/zinc/06/32/51/887063251.db2.gz VIMGXSQZRRRHGA-XMMPIXPASA-N 1 1 403.526 4.257 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000472263811 887076787 /nfs/dbraw/zinc/07/67/87/887076787.db2.gz WKAVQNORXJZOKU-SFHVURJKSA-N 1 1 420.513 4.345 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)c1C#N ZINC000472432692 887280222 /nfs/dbraw/zinc/28/02/22/887280222.db2.gz QGFISSMQSKHRAZ-OAQYLSRUSA-N 1 1 416.525 4.436 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000504336689 913176112 /nfs/dbraw/zinc/17/61/12/913176112.db2.gz ADUDBWYFSCQPDI-NFBKMPQASA-N 1 1 419.569 4.255 20 30 HIEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000504367588 913197427 /nfs/dbraw/zinc/19/74/27/913197427.db2.gz GYQFVQNBQDTYLP-CZUORRHYSA-N 1 1 404.864 4.066 20 30 HIEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000504367588 913197546 /nfs/dbraw/zinc/19/75/46/913197546.db2.gz GYQFVQNBQDTYLP-CZUORRHYSA-N 1 1 404.864 4.066 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473615735 888356141 /nfs/dbraw/zinc/35/61/41/888356141.db2.gz RHYMMFRHTCVKKE-XMMPIXPASA-N 1 1 404.514 4.087 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474183024 889022215 /nfs/dbraw/zinc/02/22/15/889022215.db2.gz GHZISCCKNDINLZ-OAQYLSRUSA-N 1 1 400.448 4.465 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474224775 889065678 /nfs/dbraw/zinc/06/56/78/889065678.db2.gz GKXARXMKERNFFQ-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474224775 889065689 /nfs/dbraw/zinc/06/56/89/889065689.db2.gz GKXARXMKERNFFQ-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474224775 889065698 /nfs/dbraw/zinc/06/56/98/889065698.db2.gz GKXARXMKERNFFQ-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO C=C(C)COCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000474426841 889291282 /nfs/dbraw/zinc/29/12/82/889291282.db2.gz LZQQDGNOCIWDFH-LJQANCHMSA-N 1 1 403.866 4.110 20 30 HIEDMO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475323648 890244952 /nfs/dbraw/zinc/24/49/52/890244952.db2.gz YSUVIJAVVSAQBP-OAQYLSRUSA-N 1 1 415.493 4.077 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000475562573 890492632 /nfs/dbraw/zinc/49/26/32/890492632.db2.gz OAFZGFAHTSMDSA-UHFFFAOYSA-N 1 1 421.589 4.267 20 30 HIEDMO C=C(C)[C@@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccc(F)c(F)c1 ZINC000475703833 890641752 /nfs/dbraw/zinc/64/17/52/890641752.db2.gz PQMOBYKGVSJDOG-HXUWFJFHSA-N 1 1 405.514 4.375 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNC(=O)C[C@H](CC#N)c3ccccc3)CC2)cs1 ZINC000475928313 890853483 /nfs/dbraw/zinc/85/34/83/890853483.db2.gz VVQNWYUOBCSKCO-FQEVSTJZSA-N 1 1 410.587 4.121 20 30 HIEDMO N#CC[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065215 890994979 /nfs/dbraw/zinc/99/49/79/890994979.db2.gz VQMQDNNPEYMEEL-FPOVZHCZSA-N 1 1 415.459 4.483 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000504825127 913543233 /nfs/dbraw/zinc/54/32/33/913543233.db2.gz HMTREUPSKVFKIY-NTKDMRAZSA-N 1 1 400.526 4.020 20 30 HIEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nc2c(s1)CCCC2 ZINC000477008185 891934855 /nfs/dbraw/zinc/93/48/55/891934855.db2.gz HEMQUUFSTOOBQY-UHFFFAOYSA-N 1 1 414.600 4.294 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nc2c(s1)CCCC2 ZINC000477008185 891934872 /nfs/dbraw/zinc/93/48/72/891934872.db2.gz HEMQUUFSTOOBQY-UHFFFAOYSA-N 1 1 414.600 4.294 20 30 HIEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000477069466 892002616 /nfs/dbraw/zinc/00/26/16/892002616.db2.gz BJNZPVDEGBPCMK-XMMPIXPASA-N 1 1 422.960 4.138 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036482 893168868 /nfs/dbraw/zinc/16/88/68/893168868.db2.gz KZBAMUPKQUMVNP-IEBWSBKVSA-N 1 1 416.587 4.192 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000478352676 893601103 /nfs/dbraw/zinc/60/11/03/893601103.db2.gz GWLZOKZWAZISAS-IBGZPJMESA-N 1 1 400.563 4.377 20 30 HIEDMO CC[C@H](c1nnc(SCC#Cc2ccccc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000478522682 893828209 /nfs/dbraw/zinc/82/82/09/893828209.db2.gz PURKHHNOHJDDAZ-OAQYLSRUSA-N 1 1 406.555 4.432 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)ccc1Cl ZINC000505208921 913884391 /nfs/dbraw/zinc/88/43/91/913884391.db2.gz GKGQBGIWAYOPMH-INIZCTEOSA-N 1 1 402.951 4.231 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)ccc1Cl ZINC000505208921 913884398 /nfs/dbraw/zinc/88/43/98/913884398.db2.gz GKGQBGIWAYOPMH-INIZCTEOSA-N 1 1 402.951 4.231 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000479493342 894812985 /nfs/dbraw/zinc/81/29/85/894812985.db2.gz ZBMVJHCQHXGHLN-HSZRJFAPSA-N 1 1 409.938 4.474 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)[NH+](C)C ZINC000480204846 895605328 /nfs/dbraw/zinc/60/53/28/895605328.db2.gz UNKSXEAVYQXGTA-NRFANRHFSA-N 1 1 415.493 4.392 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000480549990 895910659 /nfs/dbraw/zinc/91/06/59/895910659.db2.gz WNTQHPJKDGZUEC-UHFFFAOYSA-N 1 1 417.534 4.413 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180729 896521553 /nfs/dbraw/zinc/52/15/53/896521553.db2.gz XRLFYCCBHMUMOI-AUSIDOKSSA-N 1 1 424.976 4.087 20 30 HIEDMO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481452144 896848098 /nfs/dbraw/zinc/84/80/98/896848098.db2.gz SYQKJZSUPNTWDS-IBGZPJMESA-N 1 1 408.550 4.102 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000481583137 896962695 /nfs/dbraw/zinc/96/26/95/896962695.db2.gz AGXLLGXFUVVFQE-HXUWFJFHSA-N 1 1 410.848 4.481 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 ZINC000481590896 896969809 /nfs/dbraw/zinc/96/98/09/896969809.db2.gz IERBJVSPOQEWOW-QKKBWIMNSA-N 1 1 406.448 4.366 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)c1ccc(F)c(F)c1 ZINC000481595843 896975067 /nfs/dbraw/zinc/97/50/67/896975067.db2.gz URBSRIBXLAWSSJ-INIZCTEOSA-N 1 1 404.442 4.230 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(F)c(F)c1 ZINC000481605387 896986234 /nfs/dbraw/zinc/98/62/34/896986234.db2.gz HRJNUUUIBHGBHN-LRTDBIEQSA-N 1 1 417.456 4.166 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(F)c(F)c1 ZINC000481605388 896986864 /nfs/dbraw/zinc/98/68/64/896986864.db2.gz HRJNUUUIBHGBHN-YEJXKQKISA-N 1 1 417.456 4.166 20 30 HIEDMO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481650140 897036922 /nfs/dbraw/zinc/03/69/22/897036922.db2.gz LVPBWJKYOXUJMS-RBUKOAKNSA-N 1 1 405.951 4.334 20 30 HIEDMO N#Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000481689964 897075369 /nfs/dbraw/zinc/07/53/69/897075369.db2.gz XOCYFFBFQPSOIG-UHFFFAOYSA-N 1 1 420.410 4.456 20 30 HIEDMO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000481887706 897261713 /nfs/dbraw/zinc/26/17/13/897261713.db2.gz MABHXORXUZYREB-GGAORHGYSA-N 1 1 405.567 4.429 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000481904085 897284767 /nfs/dbraw/zinc/28/47/67/897284767.db2.gz KAZYVFNFZQFPAZ-ZEQRLZLVSA-N 1 1 419.594 4.305 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000482508126 898091616 /nfs/dbraw/zinc/09/16/16/898091616.db2.gz KZTZWYCHVLERCM-AREMUKBSSA-N 1 1 417.553 4.230 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(SCC#N)c3)CC[N@H+]2C2CC2)c1 ZINC000482790694 898398796 /nfs/dbraw/zinc/39/87/96/898398796.db2.gz HUNFDVDJKYKFKU-VXKWHMMOSA-N 1 1 407.539 4.019 20 30 HIEDMO CCc1ccc([C@@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)CC[NH2+]2)cc1 ZINC000505557832 914263035 /nfs/dbraw/zinc/26/30/35/914263035.db2.gz MVXRYTXESBTBIY-QHCPKHFHSA-N 1 1 400.526 4.294 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482969521 898601968 /nfs/dbraw/zinc/60/19/68/898601968.db2.gz FTDJWPSCVPPDIX-ZDUSSCGKSA-N 1 1 406.349 4.412 20 30 HIEDMO Cn1cc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C#N ZINC000483269050 898907305 /nfs/dbraw/zinc/90/73/05/898907305.db2.gz HDTPBHRYXHLMDW-UHFFFAOYSA-N 1 1 403.461 4.238 20 30 HIEDMO Cn1cc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C#N ZINC000483269050 898907319 /nfs/dbraw/zinc/90/73/19/898907319.db2.gz HDTPBHRYXHLMDW-UHFFFAOYSA-N 1 1 403.461 4.238 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@H]21 ZINC000483369708 899006998 /nfs/dbraw/zinc/00/69/98/899006998.db2.gz SXPFNEBJHPOZBZ-SIKLNZKXSA-N 1 1 422.504 4.224 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424392 899054289 /nfs/dbraw/zinc/05/42/89/899054289.db2.gz DEQAMLRJFQMSJY-MHECFPHRSA-N 1 1 409.505 4.133 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424392 899054312 /nfs/dbraw/zinc/05/43/12/899054312.db2.gz DEQAMLRJFQMSJY-MHECFPHRSA-N 1 1 409.505 4.133 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476645 899121937 /nfs/dbraw/zinc/12/19/37/899121937.db2.gz ALDFLKGPGRICJW-DHIUTWEWSA-N 1 1 413.525 4.095 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483593903 899244781 /nfs/dbraw/zinc/24/47/81/899244781.db2.gz DAKPQOFJEPPZJF-VWNXMTODSA-N 1 1 417.553 4.229 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484008409 899645492 /nfs/dbraw/zinc/64/54/92/899645492.db2.gz MKQCROKIOPFMBF-VQTJNVASSA-N 1 1 422.495 4.144 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCSC1 ZINC000484194321 899807074 /nfs/dbraw/zinc/80/70/74/899807074.db2.gz WYAACFDMVWWRLP-MRXNPFEDSA-N 1 1 401.919 4.380 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCSC1 ZINC000484194321 899807076 /nfs/dbraw/zinc/80/70/76/899807076.db2.gz WYAACFDMVWWRLP-MRXNPFEDSA-N 1 1 401.919 4.380 20 30 HIEDMO COC(=O)[C@H](C)[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCC1 ZINC000484496696 899987232 /nfs/dbraw/zinc/98/72/32/899987232.db2.gz DXOPGNZJSXNMHM-KRWDZBQOSA-N 1 1 408.498 4.062 20 30 HIEDMO COC(=O)[C@H](C)[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CCC1 ZINC000484496696 899987238 /nfs/dbraw/zinc/98/72/38/899987238.db2.gz DXOPGNZJSXNMHM-KRWDZBQOSA-N 1 1 408.498 4.062 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613772 900070423 /nfs/dbraw/zinc/07/04/23/900070423.db2.gz BSQQTZUQULQJJH-OAQYLSRUSA-N 1 1 400.563 4.436 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1Cl ZINC000484651175 900095903 /nfs/dbraw/zinc/09/59/03/900095903.db2.gz NIILYELCQZMVNM-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000485349734 900643039 /nfs/dbraw/zinc/64/30/39/900643039.db2.gz RZPJSJXXHMEOQE-HUUCEWRRSA-N 1 1 408.449 4.270 20 30 HIEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000485432623 900728864 /nfs/dbraw/zinc/72/88/64/900728864.db2.gz OYKNAQGFWQZKPJ-IBGZPJMESA-N 1 1 410.493 4.082 20 30 HIEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000485432625 900729457 /nfs/dbraw/zinc/72/94/57/900729457.db2.gz OYKNAQGFWQZKPJ-LJQANCHMSA-N 1 1 410.493 4.082 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841524 914493356 /nfs/dbraw/zinc/49/33/56/914493356.db2.gz WJJGEMBHZPFACD-RTBURBONSA-N 1 1 409.555 4.420 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841524 914493361 /nfs/dbraw/zinc/49/33/61/914493361.db2.gz WJJGEMBHZPFACD-RTBURBONSA-N 1 1 409.555 4.420 20 30 HIEDMO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768254 901024749 /nfs/dbraw/zinc/02/47/49/901024749.db2.gz DHKGYVWIINBRGR-INIZCTEOSA-N 1 1 404.333 4.010 20 30 HIEDMO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485768254 901024757 /nfs/dbraw/zinc/02/47/57/901024757.db2.gz DHKGYVWIINBRGR-INIZCTEOSA-N 1 1 404.333 4.010 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907397 914549821 /nfs/dbraw/zinc/54/98/21/914549821.db2.gz SFFPJIPJRQOELB-TZIWHRDSSA-N 1 1 421.541 4.457 20 30 HIEDMO N#Cc1c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cn2ccccc12 ZINC000486842262 901890299 /nfs/dbraw/zinc/89/02/99/901890299.db2.gz BYLBLGVYDMOKNY-CJFMBICVSA-N 1 1 409.493 4.415 20 30 HIEDMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487404550 902186369 /nfs/dbraw/zinc/18/63/69/902186369.db2.gz UKRODBIYDXNHFQ-IBGZPJMESA-N 1 1 415.541 4.417 20 30 HIEDMO CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487425643 902203760 /nfs/dbraw/zinc/20/37/60/902203760.db2.gz GAWONZIPMGKANJ-HNNXBMFYSA-N 1 1 422.485 4.217 20 30 HIEDMO CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487425643 902203772 /nfs/dbraw/zinc/20/37/72/902203772.db2.gz GAWONZIPMGKANJ-HNNXBMFYSA-N 1 1 422.485 4.217 20 30 HIEDMO Cc1nc(SCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C#N)c(C)c1C ZINC000505953184 914607740 /nfs/dbraw/zinc/60/77/40/914607740.db2.gz LQRIROLNYBVYTF-UZLBHIALSA-N 1 1 414.619 4.084 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503491 902859027 /nfs/dbraw/zinc/85/90/27/902859027.db2.gz OQVMPSNXKFDLMR-FZKQIMNGSA-N 1 1 419.859 4.265 20 30 HIEDMO COc1cc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)ccc1OCc1ccccc1 ZINC000506022890 914702986 /nfs/dbraw/zinc/70/29/86/914702986.db2.gz YUNPCQXXWLECCV-UHFFFAOYSA-N 1 1 412.493 4.426 20 30 HIEDMO COc1cc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)ccc1OCc1ccccc1 ZINC000506022890 914703016 /nfs/dbraw/zinc/70/30/16/914703016.db2.gz YUNPCQXXWLECCV-UHFFFAOYSA-N 1 1 412.493 4.426 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489635630 903509739 /nfs/dbraw/zinc/50/97/39/903509739.db2.gz QBYOYOVCCSVFLI-UHFFFAOYSA-N 1 1 408.502 4.227 20 30 HIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866795 903637443 /nfs/dbraw/zinc/63/74/43/903637443.db2.gz SJAMSVIJTNSDNF-YOEHRIQHSA-N 1 1 413.319 4.127 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000506071391 914774791 /nfs/dbraw/zinc/77/47/91/914774791.db2.gz MDYLERMCZOPXTD-UHFFFAOYSA-N 1 1 418.566 4.220 20 30 HIEDMO Cc1nc(COc2ccc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000506071391 914774802 /nfs/dbraw/zinc/77/48/02/914774802.db2.gz MDYLERMCZOPXTD-UHFFFAOYSA-N 1 1 418.566 4.220 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000506087145 914796757 /nfs/dbraw/zinc/79/67/57/914796757.db2.gz SOHHVSAJHLEFNU-FQEVSTJZSA-N 1 1 408.498 4.486 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000491027145 904376693 /nfs/dbraw/zinc/37/66/93/904376693.db2.gz IVVOKTMEUMQVGI-QFIPXVFZSA-N 1 1 405.542 4.086 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137848 904449638 /nfs/dbraw/zinc/44/96/38/904449638.db2.gz QLAUSWBEUJNJIB-OAQYLSRUSA-N 1 1 402.498 4.313 20 30 HIEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123066 904802719 /nfs/dbraw/zinc/80/27/19/904802719.db2.gz VBBDQWZBGYJCRK-RXVVDRJESA-N 1 1 424.932 4.349 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261230 914869848 /nfs/dbraw/zinc/86/98/48/914869848.db2.gz FDOJOIGUPQKGJH-FQEVSTJZSA-N 1 1 407.514 4.228 20 30 HIEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494766507 905963476 /nfs/dbraw/zinc/96/34/76/905963476.db2.gz AAIQAVCIEOANGR-AZUAARDMSA-N 1 1 420.557 4.049 20 30 HIEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487522 921195211 /nfs/dbraw/zinc/19/52/11/921195211.db2.gz VSARCFMFBYZGLK-IAGOWNOFSA-N 1 1 403.592 4.233 20 30 HIEDMO CSCC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000494813048 906011398 /nfs/dbraw/zinc/01/13/98/906011398.db2.gz UGVARKCSWWVLOY-QGZVFWFLSA-N 1 1 420.460 4.063 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385589 906419634 /nfs/dbraw/zinc/41/96/34/906419634.db2.gz NDYQTIQOMDNGBC-MRXNPFEDSA-N 1 1 405.420 4.352 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385589 906419638 /nfs/dbraw/zinc/41/96/38/906419638.db2.gz NDYQTIQOMDNGBC-MRXNPFEDSA-N 1 1 405.420 4.352 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000512557714 921235280 /nfs/dbraw/zinc/23/52/80/921235280.db2.gz WTPVLKOTJYFNSF-LJQANCHMSA-N 1 1 422.367 4.045 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3Br)CC2)c1 ZINC000512587246 921250344 /nfs/dbraw/zinc/25/03/44/921250344.db2.gz OQWHHDAWXHMVKB-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000512656341 921277340 /nfs/dbraw/zinc/27/73/40/921277340.db2.gz ZDYMHMKAKAYCQX-YJYMSZOUSA-N 1 1 403.404 4.145 20 30 HIEDMO O=C(C[N@H+]1CC[C@H](COC(F)F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000512800660 921314294 /nfs/dbraw/zinc/31/42/94/921314294.db2.gz FWJPBKLZBUUJIN-VIFPVBQESA-N 1 1 420.300 4.224 20 30 HIEDMO O=C(C[N@@H+]1CC[C@H](COC(F)F)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000512800660 921314296 /nfs/dbraw/zinc/31/42/96/921314296.db2.gz FWJPBKLZBUUJIN-VIFPVBQESA-N 1 1 420.300 4.224 20 30 HIEDMO CCC[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512818341 921322422 /nfs/dbraw/zinc/32/24/22/921322422.db2.gz SFHMDWDUXOLLJC-JOCHJYFZSA-N 1 1 409.505 4.198 20 30 HIEDMO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H]1CCCc2ccccc21 ZINC000512825989 921330097 /nfs/dbraw/zinc/33/00/97/921330097.db2.gz BAISDDGPHIOEDT-HSZRJFAPSA-N 1 1 421.516 4.077 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000512851422 921356953 /nfs/dbraw/zinc/35/69/53/921356953.db2.gz JFMPVFOHQYAPMH-MRXNPFEDSA-N 1 1 408.477 4.048 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@H+]2C2CC2)c1 ZINC000498531049 908000161 /nfs/dbraw/zinc/00/01/61/908000161.db2.gz YUJOJGSCHXDHDH-SFTDATJTSA-N 1 1 410.905 4.320 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498547711 908009837 /nfs/dbraw/zinc/00/98/37/908009837.db2.gz HLIFYTLNNFTERL-RPWUZVMVSA-N 1 1 405.542 4.371 20 30 HIEDMO N#Cc1cccc(OCC[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000498904985 908314951 /nfs/dbraw/zinc/31/49/51/908314951.db2.gz MOKBFUQSTPZYOZ-UHFFFAOYSA-N 1 1 404.341 4.104 20 30 HIEDMO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000499237325 908601834 /nfs/dbraw/zinc/60/18/34/908601834.db2.gz SJVJAIPAWQOHSU-GOSISDBHSA-N 1 1 424.541 4.182 20 30 HIEDMO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000499237325 908601847 /nfs/dbraw/zinc/60/18/47/908601847.db2.gz SJVJAIPAWQOHSU-GOSISDBHSA-N 1 1 424.541 4.182 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000499564679 908842177 /nfs/dbraw/zinc/84/21/77/908842177.db2.gz SXOOGHHVCJBNPF-RTBURBONSA-N 1 1 406.530 4.392 20 30 HIEDMO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499576903 908845019 /nfs/dbraw/zinc/84/50/19/908845019.db2.gz RPAAAQSSANZKPU-LPHOPBHVSA-N 1 1 407.352 4.311 20 30 HIEDMO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1=O ZINC000499628222 908860818 /nfs/dbraw/zinc/86/08/18/908860818.db2.gz WMNPIULQJOQTNE-IUODEOHRSA-N 1 1 406.349 4.010 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000502161761 911082236 /nfs/dbraw/zinc/08/22/36/911082236.db2.gz ARMRSHLGNLHGJD-DHIUTWEWSA-N 1 1 420.944 4.456 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000502161761 911082258 /nfs/dbraw/zinc/08/22/58/911082258.db2.gz ARMRSHLGNLHGJD-DHIUTWEWSA-N 1 1 420.944 4.456 20 30 HIEDMO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502192079 911131181 /nfs/dbraw/zinc/13/11/81/911131181.db2.gz CAEMPBMDQIQBNO-UHFFFAOYSA-N 1 1 418.541 4.279 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000502291697 911246973 /nfs/dbraw/zinc/24/69/73/911246973.db2.gz JKAIBVJEBDZBDY-DEOSSOPVSA-N 1 1 400.526 4.022 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000502311906 911278902 /nfs/dbraw/zinc/27/89/02/911278902.db2.gz JFGRSDFZGMVLFR-FQEVSTJZSA-N 1 1 402.473 4.032 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000502311906 911278934 /nfs/dbraw/zinc/27/89/34/911278934.db2.gz JFGRSDFZGMVLFR-FQEVSTJZSA-N 1 1 402.473 4.032 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)nc1 ZINC000513260533 921664594 /nfs/dbraw/zinc/66/45/94/921664594.db2.gz GZWUFZSVOVWMIO-JOCHJYFZSA-N 1 1 412.493 4.140 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CC3CCOCC3)sc2C1 ZINC000502509281 911514455 /nfs/dbraw/zinc/51/44/55/911514455.db2.gz URZRROUNKMKQID-QGZVFWFLSA-N 1 1 417.619 4.458 20 30 HIEDMO N#Cc1ccc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1Cl ZINC000502704178 911737697 /nfs/dbraw/zinc/73/76/97/911737697.db2.gz YOVRPHURGCYRKX-UHFFFAOYSA-N 1 1 423.904 4.143 20 30 HIEDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(SC)cc1OC ZINC000506278854 914880240 /nfs/dbraw/zinc/88/02/40/914880240.db2.gz BWPAEYFVKZEXKH-UHFFFAOYSA-N 1 1 411.571 4.005 20 30 HIEDMO COc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(SC)cc1OC ZINC000506278854 914880241 /nfs/dbraw/zinc/88/02/41/914880241.db2.gz BWPAEYFVKZEXKH-UHFFFAOYSA-N 1 1 411.571 4.005 20 30 HIEDMO COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(SC)cc1OC ZINC000506278854 914880245 /nfs/dbraw/zinc/88/02/45/914880245.db2.gz BWPAEYFVKZEXKH-UHFFFAOYSA-N 1 1 411.571 4.005 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506478303 915082081 /nfs/dbraw/zinc/08/20/81/915082081.db2.gz FZOYPOPWRYSFLO-FGTMMUONSA-N 1 1 414.619 4.022 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC000507056520 915845647 /nfs/dbraw/zinc/84/56/47/915845647.db2.gz ZOVHOABQWJMLIM-UHFFFAOYSA-N 1 1 404.539 4.405 20 30 HIEDMO CCOCCOc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507233172 915989199 /nfs/dbraw/zinc/98/91/99/915989199.db2.gz POFOALONSCKZLG-UHFFFAOYSA-N 1 1 403.320 4.368 20 30 HIEDMO CCOCCOc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507233172 915989213 /nfs/dbraw/zinc/98/92/13/915989213.db2.gz POFOALONSCKZLG-UHFFFAOYSA-N 1 1 403.320 4.368 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254819 916014881 /nfs/dbraw/zinc/01/48/81/916014881.db2.gz QZEMBMWSVWXKNP-QGZVFWFLSA-N 1 1 412.484 4.176 20 30 HIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000507289930 916057474 /nfs/dbraw/zinc/05/74/74/916057474.db2.gz CGVSBQSHASYNLK-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800393 916583184 /nfs/dbraw/zinc/58/31/84/916583184.db2.gz AQONRYNZXRAFBH-LAUBAEHRSA-N 1 1 409.555 4.215 20 30 HIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000508078880 916897448 /nfs/dbraw/zinc/89/74/48/916897448.db2.gz HZJNGFDVNKZRGV-UHFFFAOYSA-N 1 1 415.488 4.179 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000508252605 917071242 /nfs/dbraw/zinc/07/12/42/917071242.db2.gz QBFIFUHQXVVIFR-UXHICEINSA-N 1 1 406.486 4.107 20 30 HIEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508474963 917258991 /nfs/dbraw/zinc/25/89/91/917258991.db2.gz WYOFJLXQQGDKBQ-UNMCSNQZSA-N 1 1 403.530 4.215 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508478699 917263445 /nfs/dbraw/zinc/26/34/45/917263445.db2.gz SRPWHFKIEPCQGM-TZIWHRDSSA-N 1 1 404.562 4.094 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508497637 917281629 /nfs/dbraw/zinc/28/16/29/917281629.db2.gz MRZANLIFTFGCAN-NRFANRHFSA-N 1 1 417.557 4.098 20 30 HIEDMO CCOc1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601881 917372419 /nfs/dbraw/zinc/37/24/19/917372419.db2.gz BERUXQIUFRCKDA-OALUTQOASA-N 1 1 423.557 4.396 20 30 HIEDMO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508746166 917503747 /nfs/dbraw/zinc/50/37/47/917503747.db2.gz JYBCYJYFVLVZQA-RTWAWAEBSA-N 1 1 411.594 4.389 20 30 HIEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508828359 917581977 /nfs/dbraw/zinc/58/19/77/917581977.db2.gz PMILGVBQPLJOGL-QFIPXVFZSA-N 1 1 421.589 4.341 20 30 HIEDMO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508864857 917618551 /nfs/dbraw/zinc/61/85/51/917618551.db2.gz QXGQBAWVEHUKRP-CQSZACIVSA-N 1 1 424.412 4.123 20 30 HIEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508895015 917650577 /nfs/dbraw/zinc/65/05/77/917650577.db2.gz MTCJCSBTPRJIMC-OALUTQOASA-N 1 1 424.549 4.130 20 30 HIEDMO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1Br ZINC000509072250 917818170 /nfs/dbraw/zinc/81/81/70/917818170.db2.gz SORGMMUZUVROCE-UHFFFAOYSA-N 1 1 401.304 4.373 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000509084953 917828203 /nfs/dbraw/zinc/82/82/03/917828203.db2.gz QAAVDZUIVVGAGX-GOSISDBHSA-N 1 1 405.502 4.035 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509143195 917867812 /nfs/dbraw/zinc/86/78/12/917867812.db2.gz VHJZFDDFNPMEMF-UHFFFAOYSA-N 1 1 419.510 4.302 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509143195 917867818 /nfs/dbraw/zinc/86/78/18/917867818.db2.gz VHJZFDDFNPMEMF-UHFFFAOYSA-N 1 1 419.510 4.302 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372078 918037866 /nfs/dbraw/zinc/03/78/66/918037866.db2.gz LUQLZJYJXXFVPM-GOSISDBHSA-N 1 1 412.921 4.268 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)[N@@H+](C)C[C@H]3C)sc2C1 ZINC000509462986 918112846 /nfs/dbraw/zinc/11/28/46/918112846.db2.gz JPBWTWKZAIEUHI-GVDBMIGSSA-N 1 1 416.635 4.124 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cc2)cs1 ZINC000509528724 918175447 /nfs/dbraw/zinc/17/54/47/918175447.db2.gz UECFPBYLNNLDDN-UHFFFAOYSA-N 1 1 422.529 4.364 20 30 HIEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)NCCCCC#N)CC2 ZINC000510000781 918585170 /nfs/dbraw/zinc/58/51/70/918585170.db2.gz XXZWYYCKCWVDKD-UHFFFAOYSA-N 1 1 422.529 4.077 20 30 HIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)NCCCCC#N)CC2 ZINC000510000781 918585178 /nfs/dbraw/zinc/58/51/78/918585178.db2.gz XXZWYYCKCWVDKD-UHFFFAOYSA-N 1 1 422.529 4.077 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000510056536 918625804 /nfs/dbraw/zinc/62/58/04/918625804.db2.gz PIOVETOPPCVCKN-LJQANCHMSA-N 1 1 415.459 4.393 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645242 919086851 /nfs/dbraw/zinc/08/68/51/919086851.db2.gz HFXMNXQMNVYOMY-LEWJYISDSA-N 1 1 418.541 4.108 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511075467 919677066 /nfs/dbraw/zinc/67/70/66/919677066.db2.gz ZADASCARQKKEOY-KRWDZBQOSA-N 1 1 410.587 4.381 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511120654 919733251 /nfs/dbraw/zinc/73/32/51/919733251.db2.gz CPSAVZUTXXTPTG-UHFFFAOYSA-N 1 1 418.497 4.329 20 30 HIEDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615005 920268702 /nfs/dbraw/zinc/26/87/02/920268702.db2.gz FWDNBQQGHGOZMW-LEWJYISDSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615005 920268714 /nfs/dbraw/zinc/26/87/14/920268714.db2.gz FWDNBQQGHGOZMW-LEWJYISDSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1)C(C)C ZINC000511718530 920383871 /nfs/dbraw/zinc/38/38/71/920383871.db2.gz BUGRQCHLBGASRP-UHFFFAOYSA-N 1 1 405.477 4.366 20 30 HIEDMO N#Cc1ccc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511841853 920555325 /nfs/dbraw/zinc/55/53/25/920555325.db2.gz DSTQYSUEEVHFRG-SFHVURJKSA-N 1 1 419.472 4.060 20 30 HIEDMO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512226555 920977818 /nfs/dbraw/zinc/97/78/18/920977818.db2.gz LAJHLGLVZJIZOQ-KRWDZBQOSA-N 1 1 413.974 4.427 20 30 HIEDMO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512226555 920977833 /nfs/dbraw/zinc/97/78/33/920977833.db2.gz LAJHLGLVZJIZOQ-KRWDZBQOSA-N 1 1 413.974 4.427 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1C#N ZINC000512340258 921086043 /nfs/dbraw/zinc/08/60/43/921086043.db2.gz HUSJHBKFWVSQJA-HSZRJFAPSA-N 1 1 420.557 4.012 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1C#N ZINC000512340258 921086053 /nfs/dbraw/zinc/08/60/53/921086053.db2.gz HUSJHBKFWVSQJA-HSZRJFAPSA-N 1 1 420.557 4.012 20 30 HIEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)c1C#N ZINC000513443190 921810615 /nfs/dbraw/zinc/81/06/15/921810615.db2.gz MHBBRAYZCQDKGH-UHFFFAOYSA-N 1 1 412.537 4.063 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000513684072 922005911 /nfs/dbraw/zinc/00/59/11/922005911.db2.gz OQLFQTAYUAINQL-OAQYLSRUSA-N 1 1 413.525 4.055 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000514579799 922716476 /nfs/dbraw/zinc/71/64/76/922716476.db2.gz LEMZMYLCEITUPB-NRFANRHFSA-N 1 1 424.545 4.152 20 30 HIEDMO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000514849813 922824465 /nfs/dbraw/zinc/82/44/65/922824465.db2.gz YLMLPRSTRMTFEA-SFHVURJKSA-N 1 1 422.960 4.374 20 30 HIEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000514849813 922824466 /nfs/dbraw/zinc/82/44/66/922824466.db2.gz YLMLPRSTRMTFEA-SFHVURJKSA-N 1 1 422.960 4.374 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Br ZINC000514868456 922826823 /nfs/dbraw/zinc/82/68/23/922826823.db2.gz DSHAHXJADCLFGH-UHFFFAOYSA-N 1 1 416.294 4.192 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000515096123 922907411 /nfs/dbraw/zinc/90/74/11/922907411.db2.gz APBSFYPPIGXMKI-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000515096123 922907424 /nfs/dbraw/zinc/90/74/24/922907424.db2.gz APBSFYPPIGXMKI-PMACEKPBSA-N 1 1 402.420 4.321 20 30 HIEDMO CCOc1ccc(OCC)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000515382806 923073138 /nfs/dbraw/zinc/07/31/38/923073138.db2.gz YUABHNJUAFSELI-UHFFFAOYSA-N 1 1 422.529 4.095 20 30 HIEDMO CCOc1ccc(OCC)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000515382806 923073159 /nfs/dbraw/zinc/07/31/59/923073159.db2.gz YUABHNJUAFSELI-UHFFFAOYSA-N 1 1 422.529 4.095 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522809 923153797 /nfs/dbraw/zinc/15/37/97/923153797.db2.gz KBQKSISFZXIEIC-HSALFYBXSA-N 1 1 404.558 4.153 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522809 923153809 /nfs/dbraw/zinc/15/38/09/923153809.db2.gz KBQKSISFZXIEIC-HSALFYBXSA-N 1 1 404.558 4.153 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000515743710 923317633 /nfs/dbraw/zinc/31/76/33/923317633.db2.gz ZMIBRDVPUYOVOT-UHFFFAOYSA-N 1 1 410.606 4.138 20 30 HIEDMO C[N@@H+](CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccc(F)cc1 ZINC000516690293 923846917 /nfs/dbraw/zinc/84/69/17/923846917.db2.gz GXQVDPYDIWEIIU-UHFFFAOYSA-N 1 1 419.460 4.138 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Br)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530134 924247974 /nfs/dbraw/zinc/24/79/74/924247974.db2.gz OCAPLLUZBAYPGE-ZDUSSCGKSA-N 1 1 404.337 4.236 20 30 HIEDMO C=CCc1ccc(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)c1 ZINC000517651072 926759362 /nfs/dbraw/zinc/75/93/62/926759362.db2.gz DYBXIGXMJAUYTI-NOTZXAQLSA-N 1 1 420.553 4.114 20 30 HIEDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1(C#N)CCCCC1 ZINC000518863361 927571638 /nfs/dbraw/zinc/57/16/38/927571638.db2.gz FUKMAKUMVVTMMN-UHFFFAOYSA-N 1 1 407.562 4.064 20 30 HIEDMO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2ccccn21 ZINC000519573773 928022800 /nfs/dbraw/zinc/02/28/00/928022800.db2.gz XHKIOPQPMZTEPX-MRXNPFEDSA-N 1 1 405.449 4.204 20 30 HIEDMO C=CCN(CC=C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000520054273 928278955 /nfs/dbraw/zinc/27/89/55/928278955.db2.gz AXQFQOWVZCANPN-UHFFFAOYSA-N 1 1 421.541 4.468 20 30 HIEDMO C=CCN(CC=C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000520054273 928278972 /nfs/dbraw/zinc/27/89/72/928278972.db2.gz AXQFQOWVZCANPN-UHFFFAOYSA-N 1 1 421.541 4.468 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000521080800 928978963 /nfs/dbraw/zinc/97/89/63/928978963.db2.gz MVBCSXXAGPKCNW-XMMPIXPASA-N 1 1 402.542 4.093 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521641176 929338602 /nfs/dbraw/zinc/33/86/02/929338602.db2.gz KZBPWTVGTWDQBX-FGZHOGPDSA-N 1 1 421.585 4.236 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000521641178 929338706 /nfs/dbraw/zinc/33/87/06/929338706.db2.gz KZBPWTVGTWDQBX-VXKWHMMOSA-N 1 1 421.585 4.236 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521801449 929463226 /nfs/dbraw/zinc/46/32/26/929463226.db2.gz WZYJVOLPKCAMHZ-VXKWHMMOSA-N 1 1 419.525 4.432 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521801449 929463257 /nfs/dbraw/zinc/46/32/57/929463257.db2.gz WZYJVOLPKCAMHZ-VXKWHMMOSA-N 1 1 419.525 4.432 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000521880134 929530047 /nfs/dbraw/zinc/53/00/47/929530047.db2.gz HEZCWDQGYFZFMI-JOCHJYFZSA-N 1 1 419.013 4.034 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000524596645 929706335 /nfs/dbraw/zinc/70/63/35/929706335.db2.gz NMWIIALPHAHTIY-HXUWFJFHSA-N 1 1 410.562 4.261 20 30 HIEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000524868241 929865189 /nfs/dbraw/zinc/86/51/89/929865189.db2.gz JXKMZDRCTFUJCR-IBGZPJMESA-N 1 1 408.542 4.169 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895332 929876405 /nfs/dbraw/zinc/87/64/05/929876405.db2.gz VFLYAEDLGMSINB-FQEVSTJZSA-N 1 1 424.976 4.183 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000527316882 930633545 /nfs/dbraw/zinc/63/35/45/930633545.db2.gz GPUUEYPXYRSFCH-PZJWPPBQSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000527316882 930633553 /nfs/dbraw/zinc/63/35/53/930633553.db2.gz GPUUEYPXYRSFCH-PZJWPPBQSA-N 1 1 414.456 4.191 20 30 HIEDMO C[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000532158751 931332046 /nfs/dbraw/zinc/33/20/46/931332046.db2.gz KNIUSCGZCAWIGA-UHFFFAOYSA-N 1 1 401.432 4.200 20 30 HIEDMO C[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000532158751 931332051 /nfs/dbraw/zinc/33/20/51/931332051.db2.gz KNIUSCGZCAWIGA-UHFFFAOYSA-N 1 1 401.432 4.200 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000532490403 931459026 /nfs/dbraw/zinc/45/90/26/931459026.db2.gz WIWIEDOMGQTIBI-KRWDZBQOSA-N 1 1 401.457 4.001 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000532503206 931464939 /nfs/dbraw/zinc/46/49/39/931464939.db2.gz OREKYKXDQVHVQI-UHFFFAOYSA-N 1 1 416.525 4.287 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000532503206 931464942 /nfs/dbraw/zinc/46/49/42/931464942.db2.gz OREKYKXDQVHVQI-UHFFFAOYSA-N 1 1 416.525 4.287 20 30 HIEDMO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000532538975 931514787 /nfs/dbraw/zinc/51/47/87/931514787.db2.gz VLTPEYSHOGBUJS-SECBINFHSA-N 1 1 415.309 4.499 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccs1 ZINC000532893509 931682236 /nfs/dbraw/zinc/68/22/36/931682236.db2.gz WZYCDKKWNTYOTJ-UHFFFAOYSA-N 1 1 403.573 4.037 20 30 HIEDMO C[NH+](C)CC(=O)Nc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000532892296 931682292 /nfs/dbraw/zinc/68/22/92/931682292.db2.gz ALIZHJBOCANJGS-UHFFFAOYSA-N 1 1 414.509 4.249 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc2c(c1)OCO2 ZINC000532918237 931693081 /nfs/dbraw/zinc/69/30/81/931693081.db2.gz IRKZZLAGXUNYSH-MRXNPFEDSA-N 1 1 411.527 4.270 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc2c(c1)OCO2 ZINC000532918237 931693083 /nfs/dbraw/zinc/69/30/83/931693083.db2.gz IRKZZLAGXUNYSH-MRXNPFEDSA-N 1 1 411.527 4.270 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000533240466 931816805 /nfs/dbraw/zinc/81/68/05/931816805.db2.gz GNELUUGGPIOLBN-QGZVFWFLSA-N 1 1 413.468 4.143 20 30 HIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000533291084 931829727 /nfs/dbraw/zinc/82/97/27/931829727.db2.gz AESDNNLFQWWLGL-FQEVSTJZSA-N 1 1 408.571 4.340 20 30 HIEDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1 ZINC000533402196 931859470 /nfs/dbraw/zinc/85/94/70/931859470.db2.gz ZRDLOPQJEXHRJM-PKOBYXMFSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1 ZINC000533402196 931859471 /nfs/dbraw/zinc/85/94/71/931859471.db2.gz ZRDLOPQJEXHRJM-PKOBYXMFSA-N 1 1 409.555 4.375 20 30 HIEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000533419014 931862403 /nfs/dbraw/zinc/86/24/03/931862403.db2.gz UTXUQXAVLYQLGO-QGZVFWFLSA-N 1 1 416.344 4.428 20 30 HIEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000533419014 931862406 /nfs/dbraw/zinc/86/24/06/931862406.db2.gz UTXUQXAVLYQLGO-QGZVFWFLSA-N 1 1 416.344 4.428 20 30 HIEDMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000533479117 931879176 /nfs/dbraw/zinc/87/91/76/931879176.db2.gz MHNALCQFZCVLLI-HSZRJFAPSA-N 1 1 409.555 4.075 20 30 HIEDMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000533479117 931879179 /nfs/dbraw/zinc/87/91/79/931879179.db2.gz MHNALCQFZCVLLI-HSZRJFAPSA-N 1 1 409.555 4.075 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533480416 931879795 /nfs/dbraw/zinc/87/97/95/931879795.db2.gz XWCRLPDJOMZFLZ-QGZVFWFLSA-N 1 1 409.555 4.462 20 30 HIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCOc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000533487072 931882655 /nfs/dbraw/zinc/88/26/55/931882655.db2.gz SOJISRYLHKHCDE-UHFFFAOYSA-N 1 1 403.482 4.225 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533512506 931890131 /nfs/dbraw/zinc/89/01/31/931890131.db2.gz XTTHTRFITQSBTH-ZRNYENFQSA-N 1 1 414.619 4.214 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859062 932809933 /nfs/dbraw/zinc/80/99/33/932809933.db2.gz PWVBMGMUYIKCTO-RXVVDRJESA-N 1 1 400.906 4.089 20 30 HIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000534859062 932809937 /nfs/dbraw/zinc/80/99/37/932809937.db2.gz PWVBMGMUYIKCTO-RXVVDRJESA-N 1 1 400.906 4.089 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466566 933156732 /nfs/dbraw/zinc/15/67/32/933156732.db2.gz SZRHWBGCYOQDOT-JWQCQUIFSA-N 1 1 411.505 4.312 20 30 HIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850050 933431410 /nfs/dbraw/zinc/43/14/10/933431410.db2.gz FDQFWSHRYLLDGF-IBGZPJMESA-N 1 1 408.546 4.408 20 30 HIEDMO N#CC1(c2ccccc2)CCC(Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000536103998 933656155 /nfs/dbraw/zinc/65/61/55/933656155.db2.gz UQJMJTZMCQCLBD-ZMWWRJPQSA-N 1 1 416.569 4.200 20 30 HIEDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000537295891 933702470 /nfs/dbraw/zinc/70/24/70/933702470.db2.gz OLGGKGICYQFNDN-INIZCTEOSA-N 1 1 402.464 4.180 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000562533658 945097461 /nfs/dbraw/zinc/09/74/61/945097461.db2.gz RZTNGBYDLHXXFQ-KRWDZBQOSA-N 1 1 401.576 4.015 20 30 HIEDMO C=CC[N@H+](Cc1cc(OC)ccc1OC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629400 938340685 /nfs/dbraw/zinc/34/06/85/938340685.db2.gz FMZNGFFGGQSERN-OAHLLOKOSA-N 1 1 415.444 4.022 20 30 HIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537636740 938342547 /nfs/dbraw/zinc/34/25/47/938342547.db2.gz QCBQNAXQQQPKLY-UHFFFAOYSA-N 1 1 414.431 4.411 20 30 HIEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538189225 938544783 /nfs/dbraw/zinc/54/47/83/938544783.db2.gz XUPHYSOOGCPRTR-RYUDHWBXSA-N 1 1 405.857 4.046 20 30 HIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000538467418 938628819 /nfs/dbraw/zinc/62/88/19/938628819.db2.gz FFTRWPFSVDJCES-HXUWFJFHSA-N 1 1 401.432 4.200 20 30 HIEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000538730412 938695277 /nfs/dbraw/zinc/69/52/77/938695277.db2.gz JKWUBCLFFUQOMK-LJQANCHMSA-N 1 1 400.906 4.020 20 30 HIEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000538730412 938695280 /nfs/dbraw/zinc/69/52/80/938695280.db2.gz JKWUBCLFFUQOMK-LJQANCHMSA-N 1 1 400.906 4.020 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(Cc3cccnc3)CC2)c1C#N ZINC000538942777 938742857 /nfs/dbraw/zinc/74/28/57/938742857.db2.gz GXAIJJWXJAXCKY-UHFFFAOYSA-N 1 1 419.573 4.380 20 30 HIEDMO Cc1nc(C(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)ccc1C#N ZINC000539321005 938840804 /nfs/dbraw/zinc/84/08/04/938840804.db2.gz YHADUVMYKVNANE-JOCHJYFZSA-N 1 1 406.530 4.294 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000539369473 938850246 /nfs/dbraw/zinc/85/02/46/938850246.db2.gz BEGZXFBKMUGEQA-CYBMUJFWSA-N 1 1 411.506 4.159 20 30 HIEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc2F)CC1 ZINC000540274044 939179513 /nfs/dbraw/zinc/17/95/13/939179513.db2.gz XQMVALUVZGNWIV-UHFFFAOYSA-N 1 1 414.550 4.451 20 30 HIEDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000541589222 939561478 /nfs/dbraw/zinc/56/14/78/939561478.db2.gz BADJTTFZVAYPKS-SFHVURJKSA-N 1 1 411.571 4.100 20 30 HIEDMO Cn1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccc(Cl)cc2)n1 ZINC000541735575 939616930 /nfs/dbraw/zinc/61/69/30/939616930.db2.gz XNOPKTAWVKIGOQ-CVDCTZTESA-N 1 1 423.923 4.432 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(Br)cc1 ZINC000542247701 939772182 /nfs/dbraw/zinc/77/21/82/939772182.db2.gz VLIMUSXXFMXMFL-HNNXBMFYSA-N 1 1 412.331 4.163 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(Br)cc1 ZINC000542247701 939772184 /nfs/dbraw/zinc/77/21/84/939772184.db2.gz VLIMUSXXFMXMFL-HNNXBMFYSA-N 1 1 412.331 4.163 20 30 HIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880766 939864919 /nfs/dbraw/zinc/86/49/19/939864919.db2.gz HBPIYJUXZPKZTE-GJZGRUSLSA-N 1 1 409.555 4.453 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1C#N ZINC000542976481 939889835 /nfs/dbraw/zinc/88/98/35/939889835.db2.gz ZCRFRXLQXMNHGQ-AQKFKSFVSA-N 1 1 408.546 4.457 20 30 HIEDMO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543012233 939895117 /nfs/dbraw/zinc/89/51/17/939895117.db2.gz VYDOTWARYRBZOK-JTSKRJEESA-N 1 1 402.498 4.481 20 30 HIEDMO CC(C)([C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543449819 940066691 /nfs/dbraw/zinc/06/66/91/940066691.db2.gz RTPRCFLEMJXBGO-LJQANCHMSA-N 1 1 418.513 4.042 20 30 HIEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@@H+]1C ZINC000543608360 940129187 /nfs/dbraw/zinc/12/91/87/940129187.db2.gz GKQANXPRUYOMFK-CVEARBPZSA-N 1 1 412.921 4.347 20 30 HIEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608364 940129315 /nfs/dbraw/zinc/12/93/15/940129315.db2.gz GKQANXPRUYOMFK-HZPDHXFCSA-N 1 1 412.921 4.347 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889384 940228263 /nfs/dbraw/zinc/22/82/63/940228263.db2.gz VDHBZSPJPBESJE-MRXNPFEDSA-N 1 1 414.941 4.173 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000563816890 945305108 /nfs/dbraw/zinc/30/51/08/945305108.db2.gz WCRPJDCMUASFLJ-LPHOPBHVSA-N 1 1 409.408 4.246 20 30 HIEDMO N#Cc1ccc(-c2ccccc2)nc1SC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000544023625 940302356 /nfs/dbraw/zinc/30/23/56/940302356.db2.gz CLJWKWIKDFDKIX-JOCHJYFZSA-N 1 1 401.535 4.132 20 30 HIEDMO C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425120 940424001 /nfs/dbraw/zinc/42/40/01/940424001.db2.gz OLBUTHPDGLFMLO-SJORKVTESA-N 1 1 414.619 4.070 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000544486807 940453597 /nfs/dbraw/zinc/45/35/97/940453597.db2.gz QUGXLLGWBMMMGY-CVEARBPZSA-N 1 1 414.575 4.435 20 30 HIEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000544530305 940472791 /nfs/dbraw/zinc/47/27/91/940472791.db2.gz NKZQYRKNMPPQSF-MOPGFXCFSA-N 1 1 412.578 4.011 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544894625 940522688 /nfs/dbraw/zinc/52/26/88/940522688.db2.gz TZEMJCGBSLEGTB-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544894625 940522689 /nfs/dbraw/zinc/52/26/89/940522689.db2.gz TZEMJCGBSLEGTB-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894625 940522690 /nfs/dbraw/zinc/52/26/90/940522690.db2.gz TZEMJCGBSLEGTB-LJQANCHMSA-N 1 1 422.598 4.033 20 30 HIEDMO C[C@](O)(C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1)C(F)(F)F ZINC000545952328 940663955 /nfs/dbraw/zinc/66/39/55/940663955.db2.gz ZDXVVHSDMHSHDK-HNNXBMFYSA-N 1 1 403.338 4.292 20 30 HIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCOC(C)(C)C1 ZINC000564007882 945347750 /nfs/dbraw/zinc/34/77/50/945347750.db2.gz QWWMUCWRWPVVLQ-INIZCTEOSA-N 1 1 403.592 4.497 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636820 941116899 /nfs/dbraw/zinc/11/68/99/941116899.db2.gz LGAYFJRDHRRORB-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636820 941116905 /nfs/dbraw/zinc/11/69/05/941116905.db2.gz LGAYFJRDHRRORB-PMACEKPBSA-N 1 1 403.860 4.444 20 30 HIEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000549042594 941147356 /nfs/dbraw/zinc/14/73/56/941147356.db2.gz IKEOGAWJLWJYJB-UHFFFAOYSA-N 1 1 408.594 4.421 20 30 HIEDMO Cc1sc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164192 941167463 /nfs/dbraw/zinc/16/74/63/941167463.db2.gz FHBLHSHYZHITJR-HXUWFJFHSA-N 1 1 410.587 4.065 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549698096 941204978 /nfs/dbraw/zinc/20/49/78/941204978.db2.gz ASGPPERSLBTEEN-RBUKOAKNSA-N 1 1 415.557 4.301 20 30 HIEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000551651251 941518851 /nfs/dbraw/zinc/51/88/51/941518851.db2.gz XWRCDHSSHWCXCM-UHFFFAOYSA-N 1 1 407.562 4.347 20 30 HIEDMO N#CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012147 941568765 /nfs/dbraw/zinc/56/87/65/941568765.db2.gz SGQYUUDUWXJFKU-FQEVSTJZSA-N 1 1 401.432 4.230 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552739650 941749425 /nfs/dbraw/zinc/74/94/25/941749425.db2.gz STGZRJWUSZJMOY-UHFFFAOYSA-N 1 1 417.509 4.324 20 30 HIEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769593 941963371 /nfs/dbraw/zinc/96/33/71/941963371.db2.gz IOLPQJFJDQUKHJ-JKSBSHDWSA-N 1 1 407.489 4.292 20 30 HIEDMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000554522328 942163029 /nfs/dbraw/zinc/16/30/29/942163029.db2.gz PFPMSXBRJGPULC-UHFFFAOYSA-N 1 1 414.509 4.485 20 30 HIEDMO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1OCC(F)(F)F ZINC000554559389 942168096 /nfs/dbraw/zinc/16/80/96/942168096.db2.gz UDBXYQBMNMRINE-UHFFFAOYSA-N 1 1 405.420 4.089 20 30 HIEDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093440 942383806 /nfs/dbraw/zinc/38/38/06/942383806.db2.gz BXFPBRFGSQJESZ-CALCHBBNSA-N 1 1 409.496 4.288 20 30 HIEDMO N#Cc1cc2c(nc1NC[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CCCC2 ZINC000555231067 942438772 /nfs/dbraw/zinc/43/87/72/942438772.db2.gz UNVOVIIKMNBWMA-HSZRJFAPSA-N 1 1 416.569 4.173 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000555335700 942481770 /nfs/dbraw/zinc/48/17/70/942481770.db2.gz WQZXGADJWYRZTM-IBGZPJMESA-N 1 1 413.529 4.120 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)C2=O)cc1 ZINC000556093868 942804576 /nfs/dbraw/zinc/80/45/76/942804576.db2.gz PDNHJXPGVXBXCV-OALUTQOASA-N 1 1 405.395 4.476 20 30 HIEDMO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000556497187 942884892 /nfs/dbraw/zinc/88/48/92/942884892.db2.gz QSWYNRFBBUTDLO-UHFFFAOYSA-N 1 1 406.873 4.467 20 30 HIEDMO N#Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)cc1 ZINC000556873448 942946954 /nfs/dbraw/zinc/94/69/54/942946954.db2.gz YJMCTAIPOMNFJB-VORXZUAXSA-N 1 1 400.570 4.312 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000557376243 943092555 /nfs/dbraw/zinc/09/25/55/943092555.db2.gz GRPLCICTFVYJFF-JOCHJYFZSA-N 1 1 422.573 4.245 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000557769966 943286740 /nfs/dbraw/zinc/28/67/40/943286740.db2.gz HMVPLMRKYLHJHM-UHFFFAOYSA-N 1 1 417.509 4.324 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000557771486 943286907 /nfs/dbraw/zinc/28/69/07/943286907.db2.gz MTCOVCCQVRUUBG-UHFFFAOYSA-N 1 1 402.498 4.489 20 30 HIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000558627464 943620662 /nfs/dbraw/zinc/62/06/62/943620662.db2.gz HQIYEOSTFFMBJQ-UHFFFAOYSA-N 1 1 402.473 4.252 20 30 HIEDMO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558676712 943626711 /nfs/dbraw/zinc/62/67/11/943626711.db2.gz XMFRWEBSNJNBCU-UHFFFAOYSA-N 1 1 419.577 4.078 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558924693 943749051 /nfs/dbraw/zinc/74/90/51/943749051.db2.gz FLRYHEIBGYJMLH-JOCHJYFZSA-N 1 1 414.557 4.033 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000558993534 943793044 /nfs/dbraw/zinc/79/30/44/943793044.db2.gz FCSXHFGKFBLJAH-IBGZPJMESA-N 1 1 417.557 4.432 20 30 HIEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000561031844 944404135 /nfs/dbraw/zinc/40/41/35/944404135.db2.gz QTLSBGSBZLCMRF-IBGZPJMESA-N 1 1 420.586 4.095 20 30 HIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000561144617 944479529 /nfs/dbraw/zinc/47/95/29/944479529.db2.gz KBKTUSCRIJBYQR-LJQANCHMSA-N 1 1 408.303 4.069 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000561233290 944523334 /nfs/dbraw/zinc/52/33/34/944523334.db2.gz LVFUYRFKOVXEHS-UHFFFAOYSA-N 1 1 413.496 4.251 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1Cl ZINC000561902633 944847230 /nfs/dbraw/zinc/84/72/30/944847230.db2.gz VGJJWULIVLKSBB-GOSISDBHSA-N 1 1 413.909 4.418 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1Cl ZINC000561902633 944847237 /nfs/dbraw/zinc/84/72/37/944847237.db2.gz VGJJWULIVLKSBB-GOSISDBHSA-N 1 1 413.909 4.418 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000562050296 944912371 /nfs/dbraw/zinc/91/23/71/944912371.db2.gz YHUMQPBRVNZXSM-NRFANRHFSA-N 1 1 422.573 4.243 20 30 HIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562097609 944937194 /nfs/dbraw/zinc/93/71/94/944937194.db2.gz OGHAJQQOSLYBCD-SFHVURJKSA-N 1 1 407.518 4.379 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000564316375 945513122 /nfs/dbraw/zinc/51/31/22/945513122.db2.gz CLAWVFIXXIWDIS-UHFFFAOYSA-N 1 1 403.534 4.214 20 30 HIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000564316375 945513130 /nfs/dbraw/zinc/51/31/30/945513130.db2.gz CLAWVFIXXIWDIS-UHFFFAOYSA-N 1 1 403.534 4.214 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565332451 945813521 /nfs/dbraw/zinc/81/35/21/945813521.db2.gz QSEZDRWBCPIKOR-RBBKRZOGSA-N 1 1 419.573 4.332 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)ccn1 ZINC000565922046 945926351 /nfs/dbraw/zinc/92/63/51/945926351.db2.gz JXSSABRGXUKBQM-FQEVSTJZSA-N 1 1 413.481 4.142 20 30 HIEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565979794 945959141 /nfs/dbraw/zinc/95/91/41/945959141.db2.gz MPWHRGZFGLJENZ-AVRDEDQJSA-N 1 1 400.530 4.016 20 30 HIEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565979795 945959477 /nfs/dbraw/zinc/95/94/77/945959477.db2.gz MPWHRGZFGLJENZ-GCJKJVERSA-N 1 1 400.530 4.016 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566374213 946012785 /nfs/dbraw/zinc/01/27/85/946012785.db2.gz UMUBVEZORNRPAI-SEIRJHJZSA-N 1 1 409.578 4.051 20 30 HIEDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702154 946076047 /nfs/dbraw/zinc/07/60/47/946076047.db2.gz XKBHJNJDROCAPO-QZTJIDSGSA-N 1 1 405.498 4.019 20 30 HIEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2 ZINC000566766684 946094451 /nfs/dbraw/zinc/09/44/51/946094451.db2.gz AQERHOMKDVYYNO-FQEVSTJZSA-N 1 1 400.482 4.038 20 30 HIEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000568445445 946552033 /nfs/dbraw/zinc/55/20/33/946552033.db2.gz UTELWWFUIJRUHA-UHFFFAOYSA-N 1 1 412.497 4.188 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000568536824 946580278 /nfs/dbraw/zinc/58/02/78/946580278.db2.gz WDVJZNDUVVBKFZ-RBBKRZOGSA-N 1 1 418.589 4.484 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc(Br)cc3C#N)c2)CCO1 ZINC000569058957 946813681 /nfs/dbraw/zinc/81/36/81/946813681.db2.gz WDRNMFVZVKSWKS-OAHLLOKOSA-N 1 1 400.320 4.154 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc(Br)cc3C#N)c2)CCO1 ZINC000569058957 946813682 /nfs/dbraw/zinc/81/36/82/946813682.db2.gz WDRNMFVZVKSWKS-OAHLLOKOSA-N 1 1 400.320 4.154 20 30 HIEDMO C[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000569391364 946865118 /nfs/dbraw/zinc/86/51/18/946865118.db2.gz JJZRDMYUWPBSBH-ZDUSSCGKSA-N 1 1 413.275 4.100 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570546174 947284360 /nfs/dbraw/zinc/28/43/60/947284360.db2.gz IQSHJGHFTFIIES-AWEZNQCLSA-N 1 1 406.313 4.341 20 30 HIEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570546174 947284386 /nfs/dbraw/zinc/28/43/86/947284386.db2.gz IQSHJGHFTFIIES-AWEZNQCLSA-N 1 1 406.313 4.341 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)Cc2ccccc2C)c1C#N ZINC000571372399 947629728 /nfs/dbraw/zinc/62/97/28/947629728.db2.gz WCJQWAHLRUHSRX-GOSISDBHSA-N 1 1 418.541 4.428 20 30 HIEDMO Cc1sc(C2([NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)CCC2)nc1-c1ccccc1F ZINC000572063458 947837252 /nfs/dbraw/zinc/83/72/52/947837252.db2.gz LMRNYFPOHGRPOO-NRFANRHFSA-N 1 1 412.534 4.035 20 30 HIEDMO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000573047552 948069498 /nfs/dbraw/zinc/06/94/98/948069498.db2.gz QBYSFYGEVMEWDR-REWPJTCUSA-N 1 1 416.573 4.112 20 30 HIEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000573251621 948123410 /nfs/dbraw/zinc/12/34/10/948123410.db2.gz VGJPUGFWHAPQOX-UHFFFAOYSA-N 1 1 417.557 4.064 20 30 HIEDMO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000573277373 948137380 /nfs/dbraw/zinc/13/73/80/948137380.db2.gz QKFFMGPVBULWHJ-UHFFFAOYSA-N 1 1 417.488 4.142 20 30 HIEDMO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410979 948196978 /nfs/dbraw/zinc/19/69/78/948196978.db2.gz POOJVTUFLRZBTH-SBUREZEXSA-N 1 1 417.513 4.226 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573736284 948285241 /nfs/dbraw/zinc/28/52/41/948285241.db2.gz RDKLCTRUYWVFMY-JOCHJYFZSA-N 1 1 419.569 4.162 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006531 948348674 /nfs/dbraw/zinc/34/86/74/948348674.db2.gz SUUNPIRDSQUYRP-XZOQPEGZSA-N 1 1 413.481 4.312 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1C ZINC000574105863 948365001 /nfs/dbraw/zinc/36/50/01/948365001.db2.gz YUBYMMKRBRHKDA-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1C ZINC000574105863 948365005 /nfs/dbraw/zinc/36/50/05/948365005.db2.gz YUBYMMKRBRHKDA-QFIPXVFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2F)c(C#N)c1C ZINC000575840421 948738264 /nfs/dbraw/zinc/73/82/64/948738264.db2.gz SEPSSPWEORONER-JTQLQIEISA-N 1 1 410.312 4.428 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955017 948801557 /nfs/dbraw/zinc/80/15/57/948801557.db2.gz QXWWSHIVPQFDAT-XUZZJYLKSA-N 1 1 416.481 4.113 20 30 HIEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627205 719081162 /nfs/dbraw/zinc/08/11/62/719081162.db2.gz PRYRESSUANGVLI-QZTJIDSGSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729036 720488241 /nfs/dbraw/zinc/48/82/41/720488241.db2.gz QRTXCQCKMFWONZ-SFTDATJTSA-N 1 1 403.917 4.317 20 30 HIEDMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c(C)c1Cl ZINC001164841816 720663574 /nfs/dbraw/zinc/66/35/74/720663574.db2.gz QJYZCFILTWIFMM-FQEVSTJZSA-N 1 1 424.976 4.483 20 30 HIEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164908960 721754368 /nfs/dbraw/zinc/75/43/68/721754368.db2.gz ADNYRZOKOPQTIS-UHFFFAOYSA-N 1 1 413.525 4.210 20 30 HIEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164908960 721754376 /nfs/dbraw/zinc/75/43/76/721754376.db2.gz ADNYRZOKOPQTIS-UHFFFAOYSA-N 1 1 413.525 4.210 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]21 ZINC001165020610 721829385 /nfs/dbraw/zinc/82/93/85/721829385.db2.gz CTQHISDORWMBTO-DKICVRJWSA-N 1 1 416.356 4.392 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000009976423 845610451 /nfs/dbraw/zinc/61/04/51/845610451.db2.gz WYGIHUAUOSIUPC-UHFFFAOYSA-N 1 1 420.557 4.064 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000009976423 845610457 /nfs/dbraw/zinc/61/04/57/845610457.db2.gz WYGIHUAUOSIUPC-UHFFFAOYSA-N 1 1 420.557 4.064 20 30 HIEDMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000015026011 846001118 /nfs/dbraw/zinc/00/11/18/846001118.db2.gz AITVXWNNOYFODP-UHFFFAOYSA-N 1 1 406.555 4.465 20 30 HIEDMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000015026011 846001126 /nfs/dbraw/zinc/00/11/26/846001126.db2.gz AITVXWNNOYFODP-UHFFFAOYSA-N 1 1 406.555 4.465 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000017517680 846255562 /nfs/dbraw/zinc/25/55/62/846255562.db2.gz KNMNSWIIYLMWJK-UHFFFAOYSA-N 1 1 418.488 4.482 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1OC ZINC000018215659 846309713 /nfs/dbraw/zinc/30/97/13/846309713.db2.gz MDEDUYGYLMSZLE-UHFFFAOYSA-N 1 1 416.521 4.371 20 30 HIEDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022198904 846544924 /nfs/dbraw/zinc/54/49/24/846544924.db2.gz BYQADJMWAKORLM-UHFFFAOYSA-N 1 1 403.935 4.101 20 30 HIEDMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000022776386 846619757 /nfs/dbraw/zinc/61/97/57/846619757.db2.gz RQHZUTDHYOUCKG-UHFFFAOYSA-N 1 1 422.598 4.182 20 30 HIEDMO CC[C@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000025758042 847031611 /nfs/dbraw/zinc/03/16/11/847031611.db2.gz WRLXRRJYQWKZIA-HXUWFJFHSA-N 1 1 407.543 4.453 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(Cl)s1 ZINC000026250842 847112014 /nfs/dbraw/zinc/11/20/14/847112014.db2.gz CLMXFFRSQQXUOM-UHFFFAOYSA-N 1 1 409.895 4.335 20 30 HIEDMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026455560 847153001 /nfs/dbraw/zinc/15/30/01/847153001.db2.gz DSVGIKFIYWRYAU-UHFFFAOYSA-N 1 1 403.429 4.019 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)c1ccccc1 ZINC000027229974 847270023 /nfs/dbraw/zinc/27/00/23/847270023.db2.gz IWSMVUGEDMLAEE-UHFFFAOYSA-N 1 1 412.331 4.360 20 30 HIEDMO N#CCCN(C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)c1ccccc1 ZINC000027229974 847270033 /nfs/dbraw/zinc/27/00/33/847270033.db2.gz IWSMVUGEDMLAEE-UHFFFAOYSA-N 1 1 412.331 4.360 20 30 HIEDMO C=CCc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OC ZINC000027347863 847288184 /nfs/dbraw/zinc/28/81/84/847288184.db2.gz RBVHNKMPSSLLHJ-IBGZPJMESA-N 1 1 402.922 4.118 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825656 847627233 /nfs/dbraw/zinc/62/72/33/847627233.db2.gz GEYNHNZGXDTDDW-INIZCTEOSA-N 1 1 406.511 4.262 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825656 847627234 /nfs/dbraw/zinc/62/72/34/847627234.db2.gz GEYNHNZGXDTDDW-INIZCTEOSA-N 1 1 406.511 4.262 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831278 847628387 /nfs/dbraw/zinc/62/83/87/847628387.db2.gz BLRNJDDAJLSASG-QZTJIDSGSA-N 1 1 420.488 4.482 20 30 HIEDMO N#CCc1cccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000044553468 848570450 /nfs/dbraw/zinc/57/04/50/848570450.db2.gz RPNFCFZSUOBHOY-JOCHJYFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#CCc1cccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000044553468 848570452 /nfs/dbraw/zinc/57/04/52/848570452.db2.gz RPNFCFZSUOBHOY-JOCHJYFZSA-N 1 1 401.535 4.344 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156002 848641548 /nfs/dbraw/zinc/64/15/48/848641548.db2.gz XNDMJTRPNIGCNA-XMMPIXPASA-N 1 1 414.509 4.158 20 30 HIEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045787167 848728363 /nfs/dbraw/zinc/72/83/63/848728363.db2.gz OOFPADRZTUWVRR-OYRHEFFESA-N 1 1 407.558 4.194 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000046437136 848849032 /nfs/dbraw/zinc/84/90/32/848849032.db2.gz AEFPYQNMWZDMHE-HSALFYBXSA-N 1 1 405.542 4.391 20 30 HIEDMO CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000046437136 848849036 /nfs/dbraw/zinc/84/90/36/848849036.db2.gz AEFPYQNMWZDMHE-HSALFYBXSA-N 1 1 405.542 4.391 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(Cc4ccccc4)n3)CC2)cc1 ZINC000051180992 849439502 /nfs/dbraw/zinc/43/95/02/849439502.db2.gz CBUJIWNYSVDEEX-UHFFFAOYSA-N 1 1 402.567 4.313 20 30 HIEDMO C[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccc(C#N)cc1 ZINC000052580785 849597270 /nfs/dbraw/zinc/59/72/70/849597270.db2.gz FCIZLQSYICHMMP-XMMPIXPASA-N 1 1 401.535 4.226 20 30 HIEDMO C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccc(C#N)cc1 ZINC000052580785 849597275 /nfs/dbraw/zinc/59/72/75/849597275.db2.gz FCIZLQSYICHMMP-XMMPIXPASA-N 1 1 401.535 4.226 20 30 HIEDMO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000057600562 850677910 /nfs/dbraw/zinc/67/79/10/850677910.db2.gz DJKYGGMJVWVXEB-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000057600562 850677919 /nfs/dbraw/zinc/67/79/19/850677919.db2.gz DJKYGGMJVWVXEB-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO C[N@@H+](CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000059994245 851029696 /nfs/dbraw/zinc/02/96/96/851029696.db2.gz RJWUSMLYDGMCNN-UHFFFAOYSA-N 1 1 413.521 4.389 20 30 HIEDMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000060089206 851040426 /nfs/dbraw/zinc/04/04/26/851040426.db2.gz BKPZGNYLHFYKDC-XMMPIXPASA-N 1 1 403.457 4.218 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1Cl ZINC000060269441 851057488 /nfs/dbraw/zinc/05/74/88/851057488.db2.gz WEOWKMWTHDYPEA-FQEVSTJZSA-N 1 1 415.896 4.361 20 30 HIEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000071966274 852449512 /nfs/dbraw/zinc/44/95/12/852449512.db2.gz UILOXIXWIFWOES-JXFKEZNVSA-N 1 1 413.484 4.119 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)c(Br)c3)CC2)cc1 ZINC000108202957 852829286 /nfs/dbraw/zinc/82/92/86/852829286.db2.gz MVQCGMIOMOODJB-UHFFFAOYSA-N 1 1 402.311 4.168 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000108428403 852849813 /nfs/dbraw/zinc/84/98/13/852849813.db2.gz ONZNKUZUGKBJCC-WOJBJXKFSA-N 1 1 408.542 4.133 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4nc5cc(Cl)ccc5o4)CC3)C2=O)cc1 ZINC000110983043 853179695 /nfs/dbraw/zinc/17/96/95/853179695.db2.gz XVGAFZFZMUDBAX-HXUWFJFHSA-N 1 1 420.900 4.338 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](Nc4ccccc4)C3)sc2C1 ZINC000110991520 853182031 /nfs/dbraw/zinc/18/20/31/853182031.db2.gz WYZMUTDOIMMSMG-AEFFLSMTSA-N 1 1 408.571 4.260 20 30 HIEDMO CCc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n2)cc1 ZINC000116401722 853301605 /nfs/dbraw/zinc/30/16/05/853301605.db2.gz PCRSFIUGSLKMCC-UHFFFAOYSA-N 1 1 415.497 4.021 20 30 HIEDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000138856060 853396416 /nfs/dbraw/zinc/39/64/16/853396416.db2.gz NHHBBVYIIBBYMF-UHFFFAOYSA-N 1 1 402.589 4.368 20 30 HIEDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000138856060 853396428 /nfs/dbraw/zinc/39/64/28/853396428.db2.gz NHHBBVYIIBBYMF-UHFFFAOYSA-N 1 1 402.589 4.368 20 30 HIEDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cs1 ZINC000138919689 853399190 /nfs/dbraw/zinc/39/91/90/853399190.db2.gz IAKGLQOOBAXBGW-CYBMUJFWSA-N 1 1 402.589 4.224 20 30 HIEDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cs1 ZINC000138919689 853399198 /nfs/dbraw/zinc/39/91/98/853399198.db2.gz IAKGLQOOBAXBGW-CYBMUJFWSA-N 1 1 402.589 4.224 20 30 HIEDMO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000141265973 853467337 /nfs/dbraw/zinc/46/73/37/853467337.db2.gz XZNWQYGLEYVGEV-LJQANCHMSA-N 1 1 406.530 4.475 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)cn1 ZINC000195546725 853677105 /nfs/dbraw/zinc/67/71/05/853677105.db2.gz SLYQFQIQSLZDPV-UHFFFAOYSA-N 1 1 407.477 4.297 20 30 HIEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000195678534 853753052 /nfs/dbraw/zinc/75/30/52/853753052.db2.gz GLQFXZQCXFXITO-ZCNNSNEGSA-N 1 1 405.542 4.120 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000250095957 854192374 /nfs/dbraw/zinc/19/23/74/854192374.db2.gz XVKWVRBKRNHGLN-APWZRJJASA-N 1 1 417.962 4.058 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781315 854465060 /nfs/dbraw/zinc/46/50/60/854465060.db2.gz JHYATTVPTACXOC-KXBFYZLASA-N 1 1 417.479 4.412 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301781315 854465064 /nfs/dbraw/zinc/46/50/64/854465064.db2.gz JHYATTVPTACXOC-KXBFYZLASA-N 1 1 417.479 4.412 20 30 HIEDMO N#Cc1cccc(Cl)c1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000301988089 854510433 /nfs/dbraw/zinc/51/04/33/854510433.db2.gz NMRUQEQHNDFZSW-UHFFFAOYSA-N 1 1 413.934 4.078 20 30 HIEDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000302752570 854621628 /nfs/dbraw/zinc/62/16/28/854621628.db2.gz ITGFXMUQIMWFGU-AWEZNQCLSA-N 1 1 413.543 4.195 20 30 HIEDMO C=C(C)COc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1OC ZINC000437350048 862626103 /nfs/dbraw/zinc/62/61/03/862626103.db2.gz ZSNINDJSKJDPLM-MBSDFSHPSA-N 1 1 417.571 4.223 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000303584645 855057549 /nfs/dbraw/zinc/05/75/49/855057549.db2.gz QBERVQJLEWUWEW-AVRDEDQJSA-N 1 1 423.582 4.249 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000303584647 855057651 /nfs/dbraw/zinc/05/76/51/855057651.db2.gz QBERVQJLEWUWEW-GCJKJVERSA-N 1 1 423.582 4.249 20 30 HIEDMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)cs2)c1C ZINC000426364577 856260247 /nfs/dbraw/zinc/26/02/47/856260247.db2.gz HUHSRCMZRORYPO-UHFFFAOYSA-N 1 1 421.570 4.051 20 30 HIEDMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)cs2)c1C ZINC000426364577 856260253 /nfs/dbraw/zinc/26/02/53/856260253.db2.gz HUHSRCMZRORYPO-UHFFFAOYSA-N 1 1 421.570 4.051 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)Cc2cccc(F)c2)cc1OC ZINC000426379898 856266532 /nfs/dbraw/zinc/26/65/32/856266532.db2.gz KDKUVCLIQFLLRN-UHFFFAOYSA-N 1 1 424.310 4.156 20 30 HIEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000426385050 856268249 /nfs/dbraw/zinc/26/82/49/856268249.db2.gz KIJYEYCQYUEYNP-GOSISDBHSA-N 1 1 401.432 4.111 20 30 HIEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000426747648 856451389 /nfs/dbraw/zinc/45/13/89/856451389.db2.gz QUFZPNJAQKUGOD-SFHVURJKSA-N 1 1 411.571 4.221 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC000437469724 862831060 /nfs/dbraw/zinc/83/10/60/862831060.db2.gz ROMDYVWTVUZJIQ-QGZVFWFLSA-N 1 1 420.582 4.289 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437533572 862870627 /nfs/dbraw/zinc/87/06/27/862870627.db2.gz CDWYNJUHCRUYIE-PZJWPPBQSA-N 1 1 423.582 4.210 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437533572 862870628 /nfs/dbraw/zinc/87/06/28/862870628.db2.gz CDWYNJUHCRUYIE-PZJWPPBQSA-N 1 1 423.582 4.210 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773992 857331269 /nfs/dbraw/zinc/33/12/69/857331269.db2.gz UEZVCMLZTVMGNO-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773992 857331273 /nfs/dbraw/zinc/33/12/73/857331273.db2.gz UEZVCMLZTVMGNO-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429038288 857468909 /nfs/dbraw/zinc/46/89/09/857468909.db2.gz WISIDVGNKLMPLM-OAQYLSRUSA-N 1 1 408.571 4.227 20 30 HIEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000429038288 857468915 /nfs/dbraw/zinc/46/89/15/857468915.db2.gz WISIDVGNKLMPLM-OAQYLSRUSA-N 1 1 408.571 4.227 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429058137 857482888 /nfs/dbraw/zinc/48/28/88/857482888.db2.gz CXSOYOHPVUOUPL-BGYRXZFFSA-N 1 1 415.578 4.385 20 30 HIEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429223556 857563347 /nfs/dbraw/zinc/56/33/47/857563347.db2.gz RVAVXPPVZIYWKJ-PSCUFVCCSA-N 1 1 402.970 4.234 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429238230 857569491 /nfs/dbraw/zinc/56/94/91/857569491.db2.gz QMRKIBHPXFILRR-OAHLLOKOSA-N 1 1 412.515 4.452 20 30 HIEDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000429378629 857632721 /nfs/dbraw/zinc/63/27/21/857632721.db2.gz ASOYZOSFPBXQQW-FQEVSTJZSA-N 1 1 419.569 4.452 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429408534 857649272 /nfs/dbraw/zinc/64/92/72/857649272.db2.gz XAVFNYPDJBYNTQ-IAGOWNOFSA-N 1 1 414.619 4.022 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000430125430 858043566 /nfs/dbraw/zinc/04/35/66/858043566.db2.gz SXKHMAIXCQVTAN-KRWDZBQOSA-N 1 1 410.352 4.271 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000430125430 858043570 /nfs/dbraw/zinc/04/35/70/858043570.db2.gz SXKHMAIXCQVTAN-KRWDZBQOSA-N 1 1 410.352 4.271 20 30 HIEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c(C)c1C ZINC000430669625 858260287 /nfs/dbraw/zinc/26/02/87/858260287.db2.gz RNULXMQQRMNQLS-IERDGZPVSA-N 1 1 422.598 4.140 20 30 HIEDMO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c(C)c1C ZINC000430669626 858260486 /nfs/dbraw/zinc/26/04/86/858260486.db2.gz RNULXMQQRMNQLS-IIBYNOLFSA-N 1 1 422.598 4.140 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909557 858365452 /nfs/dbraw/zinc/36/54/52/858365452.db2.gz ARTFMYPTBQBDAS-ROUUACIJSA-N 1 1 406.933 4.386 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909557 858365460 /nfs/dbraw/zinc/36/54/60/858365460.db2.gz ARTFMYPTBQBDAS-ROUUACIJSA-N 1 1 406.933 4.386 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909457 858365513 /nfs/dbraw/zinc/36/55/13/858365513.db2.gz ARTFMYPTBQBDAS-QZTJIDSGSA-N 1 1 406.933 4.386 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909457 858365525 /nfs/dbraw/zinc/36/55/25/858365525.db2.gz ARTFMYPTBQBDAS-QZTJIDSGSA-N 1 1 406.933 4.386 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430914564 858369372 /nfs/dbraw/zinc/36/93/72/858369372.db2.gz LRHTUKMTVZNKOI-HYBUGGRVSA-N 1 1 423.532 4.185 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430914564 858369374 /nfs/dbraw/zinc/36/93/74/858369374.db2.gz LRHTUKMTVZNKOI-HYBUGGRVSA-N 1 1 423.532 4.185 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430926008 858372590 /nfs/dbraw/zinc/37/25/90/858372590.db2.gz MWIJGQKZFCUZMV-XUZZJYLKSA-N 1 1 405.542 4.045 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430926008 858372601 /nfs/dbraw/zinc/37/26/01/858372601.db2.gz MWIJGQKZFCUZMV-XUZZJYLKSA-N 1 1 405.542 4.045 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c2ccccc21 ZINC000430927371 858372663 /nfs/dbraw/zinc/37/26/63/858372663.db2.gz IOLDILLRAKCYMJ-QFIPXVFZSA-N 1 1 415.537 4.461 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c2ccccc21 ZINC000430927371 858372669 /nfs/dbraw/zinc/37/26/69/858372669.db2.gz IOLDILLRAKCYMJ-QFIPXVFZSA-N 1 1 415.537 4.461 20 30 HIEDMO C=CCN1C(=O)N(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165820 858481575 /nfs/dbraw/zinc/48/15/75/858481575.db2.gz HHAUWKQEGWDOJA-IFMALSPDSA-N 1 1 423.582 4.022 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 ZINC000431194214 858497517 /nfs/dbraw/zinc/49/75/17/858497517.db2.gz SJTRXEIUAAVTFB-UHFFFAOYSA-N 1 1 406.288 4.352 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(Cl)cc(F)cc3Cl)CC2)cc1 ZINC000431194214 858497523 /nfs/dbraw/zinc/49/75/23/858497523.db2.gz SJTRXEIUAAVTFB-UHFFFAOYSA-N 1 1 406.288 4.352 20 30 HIEDMO C=CCN1C(=O)N([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431520392 858654464 /nfs/dbraw/zinc/65/44/64/858654464.db2.gz OSULUIGAPXVJQZ-JPYJTQIMSA-N 1 1 414.509 4.303 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673268 858729560 /nfs/dbraw/zinc/72/95/60/858729560.db2.gz MHQIMYWLYPUWCB-NZQKXSOJSA-N 1 1 407.558 4.446 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431698037 858746860 /nfs/dbraw/zinc/74/68/60/858746860.db2.gz QYONVHYWZFNVII-RDPSFJRHSA-N 1 1 402.542 4.309 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917215 858869270 /nfs/dbraw/zinc/86/92/70/858869270.db2.gz UTCMXUJBBNSURY-DHIUTWEWSA-N 1 1 422.598 4.338 20 30 HIEDMO N#CCCC[C@@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917215 858869272 /nfs/dbraw/zinc/86/92/72/858869272.db2.gz UTCMXUJBBNSURY-DHIUTWEWSA-N 1 1 422.598 4.338 20 30 HIEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000467560339 881384677 /nfs/dbraw/zinc/38/46/77/881384677.db2.gz QGFJTHHFLFAGAC-SQJMNOBHSA-N 1 1 420.557 4.408 20 30 HIEDMO CCOC(=O)c1sc2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433022893 859484814 /nfs/dbraw/zinc/48/48/14/859484814.db2.gz YAXVGXOEFKCCOO-INIZCTEOSA-N 1 1 423.542 4.283 20 30 HIEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433328331 859645748 /nfs/dbraw/zinc/64/57/48/859645748.db2.gz RKFFVCONVWLARM-LJQANCHMSA-N 1 1 402.546 4.078 20 30 HIEDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406487 859681721 /nfs/dbraw/zinc/68/17/21/859681721.db2.gz PLYJBEGMZXZFJL-WOJBJXKFSA-N 1 1 420.557 4.086 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c2ccc(F)cc2)cc1 ZINC000433699186 859842810 /nfs/dbraw/zinc/84/28/10/859842810.db2.gz LFRAIMKZUSFQPI-SFTDATJTSA-N 1 1 421.497 4.252 20 30 HIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133908 860656906 /nfs/dbraw/zinc/65/69/06/860656906.db2.gz DYGOIMVVADRHIM-QFIPXVFZSA-N 1 1 401.514 4.074 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1cccs1 ZINC000437981813 863348257 /nfs/dbraw/zinc/34/82/57/863348257.db2.gz COMCZFIBYJHGGD-KBXCAEBGSA-N 1 1 420.485 4.426 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000438218712 863649969 /nfs/dbraw/zinc/64/99/69/863649969.db2.gz YAYYHKZDGYUYIN-UHFFFAOYSA-N 1 1 419.485 4.466 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)sc2c1CCCCC2 ZINC000438994192 864451832 /nfs/dbraw/zinc/45/18/32/864451832.db2.gz BMPBXVDDZDSAFU-MISYRCLQSA-N 1 1 415.603 4.233 20 30 HIEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)sc2c1CCCCC2 ZINC000438994195 864453287 /nfs/dbraw/zinc/45/32/87/864453287.db2.gz BMPBXVDDZDSAFU-SXLOBPIMSA-N 1 1 415.603 4.233 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392446 864817042 /nfs/dbraw/zinc/81/70/42/864817042.db2.gz AJNLVPCCTMSUNH-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392446 864817043 /nfs/dbraw/zinc/81/70/43/864817043.db2.gz AJNLVPCCTMSUNH-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556793 864882399 /nfs/dbraw/zinc/88/23/99/864882399.db2.gz HSDSVKQPNHJPHJ-VXKWHMMOSA-N 1 1 418.585 4.343 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556793 864882404 /nfs/dbraw/zinc/88/24/04/864882404.db2.gz HSDSVKQPNHJPHJ-VXKWHMMOSA-N 1 1 418.585 4.343 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579878 864900373 /nfs/dbraw/zinc/90/03/73/864900373.db2.gz HDNHFKYPBPOPRQ-VQTJNVASSA-N 1 1 422.495 4.144 20 30 HIEDMO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000467962354 881822485 /nfs/dbraw/zinc/82/24/85/881822485.db2.gz CPXWYLOLCGJBPF-MRXNPFEDSA-N 1 1 402.420 4.221 20 30 HIEDMO N#CCc1cccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440435324 865736824 /nfs/dbraw/zinc/73/68/24/865736824.db2.gz ROKMOKBSEOLXBM-HXUWFJFHSA-N 1 1 415.459 4.279 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccc(C#N)cc1 ZINC000441192898 866263200 /nfs/dbraw/zinc/26/32/00/866263200.db2.gz WVNFMOHQTVNCHL-UHFFFAOYSA-N 1 1 422.485 4.046 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccc(C#N)cc1 ZINC000441192898 866263216 /nfs/dbraw/zinc/26/32/16/866263216.db2.gz WVNFMOHQTVNCHL-UHFFFAOYSA-N 1 1 422.485 4.046 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286001 866360333 /nfs/dbraw/zinc/36/03/33/866360333.db2.gz YYGJFWKHFHNFCX-GOTSBHOMSA-N 1 1 406.526 4.394 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441391260 866463166 /nfs/dbraw/zinc/46/31/66/866463166.db2.gz GIXHRRIELLTFBV-UHFFFAOYSA-N 1 1 416.460 4.202 20 30 HIEDMO CC[C@]1(C)Oc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443355271 867922632 /nfs/dbraw/zinc/92/26/32/867922632.db2.gz AGRBZQBGXFYSSV-XMMPIXPASA-N 1 1 420.513 4.195 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443676661 868282418 /nfs/dbraw/zinc/28/24/18/868282418.db2.gz WRRHLSNNWPUGQN-UHFFFAOYSA-N 1 1 408.452 4.199 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444215016 868669941 /nfs/dbraw/zinc/66/99/41/868669941.db2.gz SAWDIDAYPCAGEE-HKUYNNGSSA-N 1 1 401.576 4.300 20 30 HIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444233981 868683037 /nfs/dbraw/zinc/68/30/37/868683037.db2.gz CBBWBAJAENXUMA-QZTJIDSGSA-N 1 1 411.571 4.448 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000444648602 868929236 /nfs/dbraw/zinc/92/92/36/868929236.db2.gz JSIQXYPVZNOZRB-AUSIDOKSSA-N 1 1 420.557 4.292 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444737586 868982892 /nfs/dbraw/zinc/98/28/92/868982892.db2.gz RALURTZCYFFKKY-IUODEOHRSA-N 1 1 409.374 4.297 20 30 HIEDMO O=C1[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC000444740796 868983154 /nfs/dbraw/zinc/98/31/54/868983154.db2.gz WTHLMIRHIBPTRY-VXGBXAGGSA-N 1 1 422.291 4.452 20 30 HIEDMO N#Cc1cc(F)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000445652075 869723633 /nfs/dbraw/zinc/72/36/33/869723633.db2.gz ZWVVLYLJRCBINP-UHFFFAOYSA-N 1 1 417.459 4.384 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC3(CCCC3)C1)CCCC2 ZINC000445844894 869856560 /nfs/dbraw/zinc/85/65/60/869856560.db2.gz LGJQHVVOUKYLFF-IBGZPJMESA-N 1 1 424.589 4.012 20 30 HIEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC3(CCCC3)C1)CCCC2 ZINC000445844894 869856561 /nfs/dbraw/zinc/85/65/61/869856561.db2.gz LGJQHVVOUKYLFF-IBGZPJMESA-N 1 1 424.589 4.012 20 30 HIEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000446969157 870869254 /nfs/dbraw/zinc/86/92/54/870869254.db2.gz GQOMUNGFHFDTKF-UHFFFAOYSA-N 1 1 415.569 4.077 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447368201 871276527 /nfs/dbraw/zinc/27/65/27/871276527.db2.gz PKTCJBOHLHLMFM-IERDGZPVSA-N 1 1 414.347 4.136 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000447842763 871767591 /nfs/dbraw/zinc/76/75/91/871767591.db2.gz CUWZCCZXGDHRCC-JXFKEZNVSA-N 1 1 400.567 4.046 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000447842763 871767611 /nfs/dbraw/zinc/76/76/11/871767611.db2.gz CUWZCCZXGDHRCC-JXFKEZNVSA-N 1 1 400.567 4.046 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856154 871773107 /nfs/dbraw/zinc/77/31/07/871773107.db2.gz YJIPVSLDOGQCTG-HXUWFJFHSA-N 1 1 419.422 4.253 20 30 HIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856154 871773129 /nfs/dbraw/zinc/77/31/29/871773129.db2.gz YJIPVSLDOGQCTG-HXUWFJFHSA-N 1 1 419.422 4.253 20 30 HIEDMO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883293 871798363 /nfs/dbraw/zinc/79/83/63/871798363.db2.gz SBTVZIAWADBLFA-XXBNENTESA-N 1 1 418.541 4.101 20 30 HIEDMO CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883293 871798373 /nfs/dbraw/zinc/79/83/73/871798373.db2.gz SBTVZIAWADBLFA-XXBNENTESA-N 1 1 418.541 4.101 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460545289 873247222 /nfs/dbraw/zinc/24/72/22/873247222.db2.gz HTNROXLZZQDSOK-UHFFFAOYSA-N 1 1 409.578 4.196 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460547841 873251819 /nfs/dbraw/zinc/25/18/19/873251819.db2.gz FRWIQXYXOACIFH-OAQYLSRUSA-N 1 1 402.546 4.017 20 30 HIEDMO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460748207 873583033 /nfs/dbraw/zinc/58/30/33/873583033.db2.gz LHOMSLLHJYJWKW-UHFFFAOYSA-N 1 1 414.557 4.185 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460764999 873606388 /nfs/dbraw/zinc/60/63/88/873606388.db2.gz ADTZJCRAYAAHQG-VQIMIIECSA-N 1 1 417.985 4.350 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460783563 873640184 /nfs/dbraw/zinc/64/01/84/873640184.db2.gz PDSYNSLMTDTJAX-SQNIBIBYSA-N 1 1 401.530 4.052 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460791164 873655045 /nfs/dbraw/zinc/65/50/45/873655045.db2.gz GFVKYGJOAGJMBN-ILWGZMRPSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460955218 873852383 /nfs/dbraw/zinc/85/23/83/873852383.db2.gz DKNXNKUTQVPVGG-ZWKOTPCHSA-N 1 1 415.607 4.074 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468639415 882772674 /nfs/dbraw/zinc/77/26/74/882772674.db2.gz SLUJKSOEXYDWLH-AHWVRZQESA-N 1 1 417.553 4.386 20 30 HIEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461448169 874506275 /nfs/dbraw/zinc/50/62/75/874506275.db2.gz KFZXEHSLANGGOF-RPWUZVMVSA-N 1 1 417.553 4.088 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461478748 874536700 /nfs/dbraw/zinc/53/67/00/874536700.db2.gz KFMQHOZJHXJDRU-LAUBAEHRSA-N 1 1 420.586 4.093 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210639 876269658 /nfs/dbraw/zinc/26/96/58/876269658.db2.gz OIKSLFBBGSDDDH-KSEOMHKRSA-N 1 1 417.981 4.301 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000463774987 876895345 /nfs/dbraw/zinc/89/53/45/876895345.db2.gz KDAPOQIOJXWRHE-IIBYNOLFSA-N 1 1 400.544 4.134 20 30 HIEDMO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2)c1 ZINC000464322809 877510827 /nfs/dbraw/zinc/51/08/27/877510827.db2.gz CNNKUYLQUNAMOF-HSZRJFAPSA-N 1 1 403.526 4.132 20 30 HIEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2)cc1 ZINC000464346573 877537608 /nfs/dbraw/zinc/53/76/08/877537608.db2.gz NEOGCJNFBTYKOY-QHCPKHFHSA-N 1 1 403.526 4.132 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000464416161 877623342 /nfs/dbraw/zinc/62/33/42/877623342.db2.gz GOCVXAVEWVMBFC-FPOVZHCZSA-N 1 1 408.542 4.385 20 30 HIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000503281483 912262767 /nfs/dbraw/zinc/26/27/67/912262767.db2.gz FLRYNCKDVIPROS-HXUWFJFHSA-N 1 1 406.530 4.185 20 30 HIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788399 878036350 /nfs/dbraw/zinc/03/63/50/878036350.db2.gz JWTDDQGTAKWYGP-JOCHJYFZSA-N 1 1 419.504 4.021 20 30 HIEDMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822312 878077340 /nfs/dbraw/zinc/07/73/40/878077340.db2.gz LSBXVLMGZLVAPO-MVWLZOCESA-N 1 1 406.526 4.240 20 30 HIEDMO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822312 878077355 /nfs/dbraw/zinc/07/73/55/878077355.db2.gz LSBXVLMGZLVAPO-MVWLZOCESA-N 1 1 406.526 4.240 20 30 HIEDMO C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000464833513 878092937 /nfs/dbraw/zinc/09/29/37/878092937.db2.gz FAZAGLDHFZSOQR-NRFANRHFSA-N 1 1 414.553 4.334 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464839328 878101901 /nfs/dbraw/zinc/10/19/01/878101901.db2.gz PUMJGLVMTCNBRV-QZTJIDSGSA-N 1 1 422.598 4.032 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464850898 878125581 /nfs/dbraw/zinc/12/55/81/878125581.db2.gz PIMCZKHIYVSDGC-RTWAWAEBSA-N 1 1 422.548 4.057 20 30 HIEDMO C=CCc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464984553 878333305 /nfs/dbraw/zinc/33/33/05/878333305.db2.gz NZHPLWSALXDRRM-HXUWFJFHSA-N 1 1 408.542 4.026 20 30 HIEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000465199067 878604016 /nfs/dbraw/zinc/60/40/16/878604016.db2.gz XAAMGQWCRUPQMK-GOSISDBHSA-N 1 1 409.555 4.151 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1Cl ZINC000465464412 878897171 /nfs/dbraw/zinc/89/71/71/878897171.db2.gz CLXDGQZYWJRMIA-CEMLEFRQSA-N 1 1 410.949 4.424 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1Cl ZINC000465464414 878897776 /nfs/dbraw/zinc/89/77/76/878897776.db2.gz CLXDGQZYWJRMIA-KSEOMHKRSA-N 1 1 410.949 4.424 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000465471866 878908838 /nfs/dbraw/zinc/90/88/38/878908838.db2.gz WUXKJEGTULSJHR-HXOBKFHXSA-N 1 1 402.498 4.333 20 30 HIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000466107433 879823166 /nfs/dbraw/zinc/82/31/66/879823166.db2.gz MNUZWQNNCRJGRD-UHFFFAOYSA-N 1 1 403.486 4.127 20 30 HIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466599991 880370229 /nfs/dbraw/zinc/37/02/29/880370229.db2.gz MVBFIAWGXSSZFS-LJQANCHMSA-N 1 1 421.545 4.318 20 30 HIEDMO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000466606371 880376311 /nfs/dbraw/zinc/37/63/11/880376311.db2.gz HMLHVFPQEWVKCV-CTNGQTDRSA-N 1 1 421.545 4.453 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466606959 880376589 /nfs/dbraw/zinc/37/65/89/880376589.db2.gz KMWACVAQGRUPRZ-TZIWHRDSSA-N 1 1 421.545 4.281 20 30 HIEDMO Cn1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000466724257 880511353 /nfs/dbraw/zinc/51/13/53/880511353.db2.gz FKYJSZYTWAXGFA-UHFFFAOYSA-N 1 1 424.346 4.395 20 30 HIEDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Br ZINC000467019975 880821894 /nfs/dbraw/zinc/82/18/94/880821894.db2.gz DXCODYHOTWBAIT-UHFFFAOYSA-N 1 1 404.333 4.379 20 30 HIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000469102232 883192885 /nfs/dbraw/zinc/19/28/85/883192885.db2.gz VALRQKCDZLFRHA-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469225526 883326061 /nfs/dbraw/zinc/32/60/61/883326061.db2.gz RWSJFXYYQQBQNO-XMSQKQJNSA-N 1 1 414.509 4.338 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000469757126 883921663 /nfs/dbraw/zinc/92/16/63/883921663.db2.gz PJRZCCDRNSDOQI-LLVKDONJSA-N 1 1 422.710 4.272 20 30 HIEDMO CC1(C)Cc2cc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000469853714 884037239 /nfs/dbraw/zinc/03/72/39/884037239.db2.gz KTBOHEXPOYBMIE-UHFFFAOYSA-N 1 1 404.514 4.012 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503753202 912815460 /nfs/dbraw/zinc/81/54/60/912815460.db2.gz WOWSHVTZCWIXMB-XMMPIXPASA-N 1 1 404.558 4.043 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000470530403 884929534 /nfs/dbraw/zinc/92/95/34/884929534.db2.gz HSQDCXXGRYIPCY-OAQYLSRUSA-N 1 1 415.324 4.328 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470811057 885299579 /nfs/dbraw/zinc/29/95/79/885299579.db2.gz JQYGHNSQYNQVFN-ROUUACIJSA-N 1 1 411.468 4.058 20 30 HIEDMO COc1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455222 /nfs/dbraw/zinc/45/52/22/885455222.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 1 1 419.569 4.310 20 30 HIEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2cccc(F)c2)cc1 ZINC000470963058 885461548 /nfs/dbraw/zinc/46/15/48/885461548.db2.gz YNXUAXZBNPBSMU-UHFFFAOYSA-N 1 1 420.463 4.450 20 30 HIEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471004518 885505013 /nfs/dbraw/zinc/50/50/13/885505013.db2.gz HYCXDYZMWUOOPL-LJQANCHMSA-N 1 1 406.452 4.278 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471017683 885520556 /nfs/dbraw/zinc/52/05/56/885520556.db2.gz IXFCLFAWPYMKGF-OAQYLSRUSA-N 1 1 409.555 4.003 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471021799 885528060 /nfs/dbraw/zinc/52/80/60/885528060.db2.gz ZEQXAKVZJQHIAO-NRFANRHFSA-N 1 1 422.573 4.058 20 30 HIEDMO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471631974 886349793 /nfs/dbraw/zinc/34/97/93/886349793.db2.gz ACGUAFLJPZQXFL-FQEVSTJZSA-N 1 1 413.521 4.213 20 30 HIEDMO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471631974 886349811 /nfs/dbraw/zinc/34/98/11/886349811.db2.gz ACGUAFLJPZQXFL-FQEVSTJZSA-N 1 1 413.521 4.213 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000471930754 886724434 /nfs/dbraw/zinc/72/44/34/886724434.db2.gz QQGXODVTYGVAEI-RTWAWAEBSA-N 1 1 410.905 4.320 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000472049987 886863939 /nfs/dbraw/zinc/86/39/39/886863939.db2.gz YZWSPYCXCGDZOF-QFIPXVFZSA-N 1 1 423.557 4.066 20 30 HIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000472049987 886863944 /nfs/dbraw/zinc/86/39/44/886863944.db2.gz YZWSPYCXCGDZOF-QFIPXVFZSA-N 1 1 423.557 4.066 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@@H](C(C)C)C2)c1C#N ZINC000472243127 887052616 /nfs/dbraw/zinc/05/26/16/887052616.db2.gz QTNHLTURGOMTMW-HXUWFJFHSA-N 1 1 414.575 4.020 20 30 HIEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472570307 887456504 /nfs/dbraw/zinc/45/65/04/887456504.db2.gz NGQBNOJRZPOAGU-QFIPXVFZSA-N 1 1 403.570 4.371 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473295737 888048261 /nfs/dbraw/zinc/04/82/61/888048261.db2.gz QSOHNFWGNJGAKC-OAQYLSRUSA-N 1 1 400.526 4.197 20 30 HIEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473867465 888724176 /nfs/dbraw/zinc/72/41/76/888724176.db2.gz UPYZZYDZNNTQHR-QGZVFWFLSA-N 1 1 420.488 4.422 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C)c(OC)c1 ZINC000474169891 889007545 /nfs/dbraw/zinc/00/75/45/889007545.db2.gz CHCPPWBCTOBTQY-UHFFFAOYSA-N 1 1 415.921 4.468 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C)c(OC)c1 ZINC000474169891 889007556 /nfs/dbraw/zinc/00/75/56/889007556.db2.gz CHCPPWBCTOBTQY-UHFFFAOYSA-N 1 1 415.921 4.468 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474241144 889088762 /nfs/dbraw/zinc/08/87/62/889088762.db2.gz UFIOJJUBCODRKW-PZJWPPBQSA-N 1 1 422.598 4.083 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1)C1CC1 ZINC000504547911 913324926 /nfs/dbraw/zinc/32/49/26/913324926.db2.gz SYDUIXXCYHCSJM-HXUWFJFHSA-N 1 1 412.331 4.428 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474520806 889389127 /nfs/dbraw/zinc/38/91/27/889389127.db2.gz SBSYTKVYPBQKIB-ZZYHAFTGSA-N 1 1 416.569 4.412 20 30 HIEDMO N#Cc1cnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c(Cl)c1 ZINC000474788901 889645275 /nfs/dbraw/zinc/64/52/75/889645275.db2.gz HEYRYNDOZCYQIK-UHFFFAOYSA-N 1 1 405.727 4.446 20 30 HIEDMO N#Cc1nnc2ccccc2c1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000474793109 889648218 /nfs/dbraw/zinc/64/82/18/889648218.db2.gz ZBMKKYVCUSEGJN-UHFFFAOYSA-N 1 1 422.330 4.340 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474837338 889696613 /nfs/dbraw/zinc/69/66/13/889696613.db2.gz UDQNRFGITBNOPQ-HSZRJFAPSA-N 1 1 421.516 4.243 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474837338 889696622 /nfs/dbraw/zinc/69/66/22/889696622.db2.gz UDQNRFGITBNOPQ-HSZRJFAPSA-N 1 1 421.516 4.243 20 30 HIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000475274133 890168548 /nfs/dbraw/zinc/16/85/48/890168548.db2.gz HUIYKGUSOQIHLJ-UHFFFAOYSA-N 1 1 408.542 4.275 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476483643 891394407 /nfs/dbraw/zinc/39/44/07/891394407.db2.gz AWSRQQKZHJQYNT-GOTSBHOMSA-N 1 1 405.542 4.293 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000476809681 891795971 /nfs/dbraw/zinc/79/59/71/891795971.db2.gz UNVGPRUVDIXNPI-HTAPYJJXSA-N 1 1 419.529 4.005 20 30 HIEDMO Cn1cc([C@@H]([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000478307694 893529740 /nfs/dbraw/zinc/52/97/40/893529740.db2.gz PDBMJIGHSSWLBG-FQEVSTJZSA-N 1 1 403.379 4.189 20 30 HIEDMO Cc1[nH]c2ccccc2c1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478437051 893739348 /nfs/dbraw/zinc/73/93/48/893739348.db2.gz ZAXKJGJGCHYTNQ-UHFFFAOYSA-N 1 1 407.539 4.001 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000479053183 894312689 /nfs/dbraw/zinc/31/26/89/894312689.db2.gz WFXINASVHWIZCK-DENIHFKCSA-N 1 1 401.510 4.439 20 30 HIEDMO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000479507789 894822043 /nfs/dbraw/zinc/82/20/43/894822043.db2.gz DBUIZTWIMXPPJX-QFIPXVFZSA-N 1 1 418.585 4.343 20 30 HIEDMO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000479969722 895323117 /nfs/dbraw/zinc/32/31/17/895323117.db2.gz QTQGWJIWJPHHKF-GOSISDBHSA-N 1 1 407.489 4.259 20 30 HIEDMO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000479969722 895323133 /nfs/dbraw/zinc/32/31/33/895323133.db2.gz QTQGWJIWJPHHKF-GOSISDBHSA-N 1 1 407.489 4.259 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183954 896529713 /nfs/dbraw/zinc/52/97/13/896529713.db2.gz SRUSBLZIEGABDT-PZJWPPBQSA-N 1 1 409.599 4.403 20 30 HIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000481229603 896580029 /nfs/dbraw/zinc/58/00/29/896580029.db2.gz OKZLWCFOINSZLV-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000481229603 896580048 /nfs/dbraw/zinc/58/00/48/896580048.db2.gz OKZLWCFOINSZLV-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000481229603 896580059 /nfs/dbraw/zinc/58/00/59/896580059.db2.gz OKZLWCFOINSZLV-HXUWFJFHSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(F)c(F)c1 ZINC000481585950 896966655 /nfs/dbraw/zinc/96/66/55/896966655.db2.gz JOBIXNOTAOVHBK-QFIPXVFZSA-N 1 1 400.473 4.196 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)c1ccc(F)c(F)c1 ZINC000481595846 896975218 /nfs/dbraw/zinc/97/52/18/896975218.db2.gz URBSRIBXLAWSSJ-MRXNPFEDSA-N 1 1 404.442 4.230 20 30 HIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481597851 896977107 /nfs/dbraw/zinc/97/71/07/896977107.db2.gz KYUDGLNDQSNLBY-CWTRNNRKSA-N 1 1 405.401 4.116 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccc(F)c(F)c1 ZINC000481598082 896978456 /nfs/dbraw/zinc/97/84/56/896978456.db2.gz YJTLJUCEGHMAJN-WNSKOXEYSA-N 1 1 418.484 4.375 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000481606024 896986751 /nfs/dbraw/zinc/98/67/51/896986751.db2.gz POSCFBTWTJJLOK-HXUWFJFHSA-N 1 1 410.411 4.432 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)c1 ZINC000481620071 897003378 /nfs/dbraw/zinc/00/33/78/897003378.db2.gz CIHLHJBVRCWVRY-WOJBJXKFSA-N 1 1 408.477 4.025 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894315 897271548 /nfs/dbraw/zinc/27/15/48/897271548.db2.gz ZNUPNNFTBJAAEA-DHIUTWEWSA-N 1 1 420.553 4.387 20 30 HIEDMO COc1c(Br)cccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481912115 897295578 /nfs/dbraw/zinc/29/55/78/897295578.db2.gz UXMHBJPTTKYRMQ-UHFFFAOYSA-N 1 1 414.347 4.037 20 30 HIEDMO COc1ccc(CNc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)cc1C#N ZINC000482573302 898169027 /nfs/dbraw/zinc/16/90/27/898169027.db2.gz NCLLCXWCQHZQAA-MRXNPFEDSA-N 1 1 410.493 4.131 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000483101145 898792962 /nfs/dbraw/zinc/79/29/62/898792962.db2.gz CDIOHUMUUGQFLY-IBGZPJMESA-N 1 1 420.488 4.185 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000483101145 898792973 /nfs/dbraw/zinc/79/29/73/898792973.db2.gz CDIOHUMUUGQFLY-IBGZPJMESA-N 1 1 420.488 4.185 20 30 HIEDMO OC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000483112362 898804115 /nfs/dbraw/zinc/80/41/15/898804115.db2.gz PHRZVFSYMXJSFY-MRXNPFEDSA-N 1 1 419.321 4.159 20 30 HIEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)c1 ZINC000483230673 898873573 /nfs/dbraw/zinc/87/35/73/898873573.db2.gz PKCHLFOSPCUVBM-FQEVSTJZSA-N 1 1 416.525 4.404 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@@H]21 ZINC000483230961 898874642 /nfs/dbraw/zinc/87/46/42/898874642.db2.gz QPVXJTRGOQZEKF-XLIONFOSSA-N 1 1 408.477 4.438 20 30 HIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@@H]21 ZINC000483369707 899005976 /nfs/dbraw/zinc/00/59/76/899005976.db2.gz SXPFNEBJHPOZBZ-KNQAVFIVSA-N 1 1 422.504 4.224 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483643353 899299933 /nfs/dbraw/zinc/29/99/33/899299933.db2.gz XGPNMBMSBTUZCV-INIZCTEOSA-N 1 1 400.523 4.473 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000505635818 914336819 /nfs/dbraw/zinc/33/68/19/914336819.db2.gz WBLOWXSYSLQKHR-UHFFFAOYSA-N 1 1 400.482 4.120 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1F ZINC000483954518 899605514 /nfs/dbraw/zinc/60/55/14/899605514.db2.gz LCWKYYIWFXZGOV-OAHLLOKOSA-N 1 1 403.383 4.138 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349980 899899281 /nfs/dbraw/zinc/89/92/81/899899281.db2.gz KUWFACFIQHGUPB-LPHOPBHVSA-N 1 1 401.469 4.074 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484352155 899900750 /nfs/dbraw/zinc/90/07/50/899900750.db2.gz KWIATLDSARQDOB-MAUKXSAKSA-N 1 1 411.468 4.241 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484352155 899900757 /nfs/dbraw/zinc/90/07/57/899900757.db2.gz KWIATLDSARQDOB-MAUKXSAKSA-N 1 1 411.468 4.241 20 30 HIEDMO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nc2scc(-c3cccs3)c2c1=O ZINC000484480097 899971864 /nfs/dbraw/zinc/97/18/64/899971864.db2.gz KQEKMWWXYXCJNZ-ZDUSSCGKSA-N 1 1 403.598 4.416 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H]1CCSC1 ZINC000484902974 900281599 /nfs/dbraw/zinc/28/15/99/900281599.db2.gz FVAIUHOFRNURGX-SFHVURJKSA-N 1 1 415.946 4.166 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H]1CCSC1 ZINC000484902974 900281610 /nfs/dbraw/zinc/28/16/10/900281610.db2.gz FVAIUHOFRNURGX-SFHVURJKSA-N 1 1 415.946 4.166 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000505856268 914503238 /nfs/dbraw/zinc/50/32/38/914503238.db2.gz IQGJOUIWPFPBLP-IYBDPMFKSA-N 1 1 409.555 4.360 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000505856268 914503245 /nfs/dbraw/zinc/50/32/45/914503245.db2.gz IQGJOUIWPFPBLP-IYBDPMFKSA-N 1 1 409.555 4.360 20 30 HIEDMO N#Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1C(F)(F)F ZINC000485893669 901126035 /nfs/dbraw/zinc/12/60/35/901126035.db2.gz JMBHATYUNVYQMD-UHFFFAOYSA-N 1 1 407.302 4.348 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485922439 901148653 /nfs/dbraw/zinc/14/86/53/901148653.db2.gz SJGCFIHKYDNYRZ-LJQANCHMSA-N 1 1 408.521 4.193 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485922439 901148659 /nfs/dbraw/zinc/14/86/59/901148659.db2.gz SJGCFIHKYDNYRZ-LJQANCHMSA-N 1 1 408.521 4.193 20 30 HIEDMO N#Cc1cccc(-c2csc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)c1 ZINC000486305798 901486079 /nfs/dbraw/zinc/48/60/79/901486079.db2.gz XIVYZVHTBAYCSS-UHFFFAOYSA-N 1 1 422.420 4.452 20 30 HIEDMO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000505907810 914551612 /nfs/dbraw/zinc/55/16/12/914551612.db2.gz RAFKFTBJNVFJSY-UHFFFAOYSA-N 1 1 409.530 4.099 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910840 914554239 /nfs/dbraw/zinc/55/42/39/914554239.db2.gz DFTHIXHYXZCHSS-CTNGQTDRSA-N 1 1 421.541 4.457 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782740 901851268 /nfs/dbraw/zinc/85/12/68/901851268.db2.gz YPLJSOUVXFHPJJ-GOSISDBHSA-N 1 1 412.603 4.360 20 30 HIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 ZINC000486825626 901878797 /nfs/dbraw/zinc/87/87/97/901878797.db2.gz NNDLKKORZAIYKT-DENIHFKCSA-N 1 1 415.459 4.446 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650800 902920660 /nfs/dbraw/zinc/92/06/60/902920660.db2.gz CFNLLYQQNAFSIW-SFHVURJKSA-N 1 1 420.513 4.068 20 30 HIEDMO C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000489015855 903122579 /nfs/dbraw/zinc/12/25/79/903122579.db2.gz PZQCVCUWNSEZBZ-PKTZIBPZSA-N 1 1 405.542 4.151 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489851794 903630857 /nfs/dbraw/zinc/63/08/57/903630857.db2.gz IFPHKTKSFUYXRF-AUSIDOKSSA-N 1 1 422.529 4.203 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506048551 914742369 /nfs/dbraw/zinc/74/23/69/914742369.db2.gz ZXCZHDQNBVRRJP-OAHLLOKOSA-N 1 1 417.966 4.064 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490214864 903831369 /nfs/dbraw/zinc/83/13/69/903831369.db2.gz CUSLXNKKRKCEGD-YADHBBJMSA-N 1 1 409.480 4.474 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490214864 903831376 /nfs/dbraw/zinc/83/13/76/903831376.db2.gz CUSLXNKKRKCEGD-YADHBBJMSA-N 1 1 409.480 4.474 20 30 HIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506133837 914817679 /nfs/dbraw/zinc/81/76/79/914817679.db2.gz BQEHJRXKCCMDJR-QGZVFWFLSA-N 1 1 405.498 4.449 20 30 HIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506133837 914817681 /nfs/dbraw/zinc/81/76/81/914817681.db2.gz BQEHJRXKCCMDJR-QGZVFWFLSA-N 1 1 405.498 4.449 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515557 904862645 /nfs/dbraw/zinc/86/26/45/904862645.db2.gz OCEADBZZUVQBHB-YWZLYKJASA-N 1 1 419.447 4.154 20 30 HIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812745 904910016 /nfs/dbraw/zinc/91/00/16/904910016.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812745 904910035 /nfs/dbraw/zinc/91/00/35/904910035.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812745 904910076 /nfs/dbraw/zinc/91/00/76/904910076.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506272435 914876273 /nfs/dbraw/zinc/87/62/73/914876273.db2.gz LKUMVISUYHUHCR-UHFFFAOYSA-N 1 1 417.532 4.208 20 30 HIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506272435 914876274 /nfs/dbraw/zinc/87/62/74/914876274.db2.gz LKUMVISUYHUHCR-UHFFFAOYSA-N 1 1 417.532 4.208 20 30 HIEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506272435 914876275 /nfs/dbraw/zinc/87/62/75/914876275.db2.gz LKUMVISUYHUHCR-UHFFFAOYSA-N 1 1 417.532 4.208 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn2ccccc12 ZINC000493816832 905228165 /nfs/dbraw/zinc/22/81/65/905228165.db2.gz JDRJBYXRSIYGKZ-OAHLLOKOSA-N 1 1 424.430 4.252 20 30 HIEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000512405360 921139811 /nfs/dbraw/zinc/13/98/11/921139811.db2.gz YXHGMTQEMTVONB-UHFFFAOYSA-N 1 1 422.536 4.231 20 30 HIEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449217 921169059 /nfs/dbraw/zinc/16/90/59/921169059.db2.gz DDFCLHVGORGNRK-OAQYLSRUSA-N 1 1 405.542 4.121 20 30 HIEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494766510 905963935 /nfs/dbraw/zinc/96/39/35/905963935.db2.gz AAIQAVCIEOANGR-UYAOXDASSA-N 1 1 420.557 4.049 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000494915655 906088603 /nfs/dbraw/zinc/08/86/03/906088603.db2.gz DTSBGCFDZOPHBD-XMMPIXPASA-N 1 1 415.537 4.500 20 30 HIEDMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1C ZINC000494975269 906141191 /nfs/dbraw/zinc/14/11/91/906141191.db2.gz WVIKWLYNYHEVAI-UHFFFAOYSA-N 1 1 406.530 4.232 20 30 HIEDMO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(Cl)c1OC ZINC000512583331 921248901 /nfs/dbraw/zinc/24/89/01/921248901.db2.gz RXWNASFDDULGCN-UHFFFAOYSA-N 1 1 413.905 4.080 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000512594650 921253090 /nfs/dbraw/zinc/25/30/90/921253090.db2.gz BXTRKLLHWNZFGT-UHFFFAOYSA-N 1 1 421.310 4.265 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000512594650 921253093 /nfs/dbraw/zinc/25/30/93/921253093.db2.gz BXTRKLLHWNZFGT-UHFFFAOYSA-N 1 1 421.310 4.265 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000496568613 906710414 /nfs/dbraw/zinc/71/04/14/906710414.db2.gz GDVVEURMAYAGDQ-HXUWFJFHSA-N 1 1 403.615 4.452 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3csc(Br)c3)CC2)c1 ZINC000512632555 921268703 /nfs/dbraw/zinc/26/87/03/921268703.db2.gz COPXSXVHIWURQY-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1F ZINC000512646605 921273436 /nfs/dbraw/zinc/27/34/36/921273436.db2.gz BQUNYDBZDPGGEM-SGTLLEGYSA-N 1 1 407.367 4.052 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593791 907075031 /nfs/dbraw/zinc/07/50/31/907075031.db2.gz JTOKKQIOJJIRNY-GCJKJVERSA-N 1 1 421.541 4.322 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512710875 921294122 /nfs/dbraw/zinc/29/41/22/921294122.db2.gz BAUBCICPQNGDDQ-CTNGQTDRSA-N 1 1 424.589 4.275 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC000512802536 921314816 /nfs/dbraw/zinc/31/48/16/921314816.db2.gz UZSXCMLHVIZZHO-UHFFFAOYSA-N 1 1 418.390 4.491 20 30 HIEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806200 921315258 /nfs/dbraw/zinc/31/52/58/921315258.db2.gz RXSQYKWFGUXZLX-INIZCTEOSA-N 1 1 418.472 4.116 20 30 HIEDMO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C ZINC000512839101 921341957 /nfs/dbraw/zinc/34/19/57/921341957.db2.gz GCTMKRYLYGKJSX-SFHVURJKSA-N 1 1 409.505 4.035 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498399499 907881507 /nfs/dbraw/zinc/88/15/07/907881507.db2.gz GGQQQUGWNMNDEP-NFBKMPQASA-N 1 1 420.513 4.065 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000498479446 907948603 /nfs/dbraw/zinc/94/86/03/907948603.db2.gz KUEMXRHWTNAQMM-OAQYLSRUSA-N 1 1 421.589 4.465 20 30 HIEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000499562869 908841729 /nfs/dbraw/zinc/84/17/29/908841729.db2.gz PNTKPKXBXXZAPG-SJORKVTESA-N 1 1 410.493 4.223 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000499562865 908842067 /nfs/dbraw/zinc/84/20/67/908842067.db2.gz PNTKPKXBXXZAPG-DLBZAZTESA-N 1 1 410.493 4.223 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000500862103 910136029 /nfs/dbraw/zinc/13/60/29/910136029.db2.gz LAHJADRSCVDCKA-WIYYLYMNSA-N 1 1 415.493 4.296 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000513112459 921559267 /nfs/dbraw/zinc/55/92/67/921559267.db2.gz AFJFFGQWZNHMHR-XMMPIXPASA-N 1 1 411.505 4.142 20 30 HIEDMO C=C(CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088007 910287045 /nfs/dbraw/zinc/28/70/45/910287045.db2.gz NBFXSPCFLNBVPC-RXVVDRJESA-N 1 1 401.913 4.485 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501852398 910886384 /nfs/dbraw/zinc/88/63/84/910886384.db2.gz FQMRKIRZKYPQAA-OAHLLOKOSA-N 1 1 404.864 4.114 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501852398 910886389 /nfs/dbraw/zinc/88/63/89/910886389.db2.gz FQMRKIRZKYPQAA-OAHLLOKOSA-N 1 1 404.864 4.114 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000502152944 911075055 /nfs/dbraw/zinc/07/50/55/911075055.db2.gz CWUFMUJTDNZVDL-OFNKIYASSA-N 1 1 409.578 4.072 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000502193947 911134743 /nfs/dbraw/zinc/13/47/43/911134743.db2.gz YSQSPJOXORDXGU-CPJSRVTESA-N 1 1 414.553 4.410 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000502327145 911303639 /nfs/dbraw/zinc/30/36/39/911303639.db2.gz SEFCLXSDQYOOKG-JOCHJYFZSA-N 1 1 406.526 4.200 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000502327145 911303661 /nfs/dbraw/zinc/30/36/61/911303661.db2.gz SEFCLXSDQYOOKG-JOCHJYFZSA-N 1 1 406.526 4.200 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327778 911304219 /nfs/dbraw/zinc/30/42/19/911304219.db2.gz SCSMRRKHZUFYLP-FQEVSTJZSA-N 1 1 408.546 4.290 20 30 HIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502343895 911323777 /nfs/dbraw/zinc/32/37/77/911323777.db2.gz RSRVUKQLEZRWIZ-GOSISDBHSA-N 1 1 403.461 4.052 20 30 HIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502343895 911323797 /nfs/dbraw/zinc/32/37/97/911323797.db2.gz RSRVUKQLEZRWIZ-GOSISDBHSA-N 1 1 403.461 4.052 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513258157 921662932 /nfs/dbraw/zinc/66/29/32/921662932.db2.gz VFFREVBQGRCKTG-VGOFRKELSA-N 1 1 408.546 4.035 20 30 HIEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000513261252 921666571 /nfs/dbraw/zinc/66/65/71/921666571.db2.gz JIDIQKWDBUQUAE-JOCHJYFZSA-N 1 1 415.493 4.125 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555180 911561542 /nfs/dbraw/zinc/56/15/42/911561542.db2.gz VTYHKJRWTLCNFI-GOSISDBHSA-N 1 1 402.473 4.122 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555180 911561554 /nfs/dbraw/zinc/56/15/54/911561554.db2.gz VTYHKJRWTLCNFI-GOSISDBHSA-N 1 1 402.473 4.122 20 30 HIEDMO Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cn2cc[nH+]c12 ZINC000502777588 911801823 /nfs/dbraw/zinc/80/18/23/911801823.db2.gz MXTDSTSDDQWPPG-UHFFFAOYSA-N 1 1 407.905 4.413 20 30 HIEDMO COc1ccc(C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503207955 912189034 /nfs/dbraw/zinc/18/90/34/912189034.db2.gz UCJMQMBGGMDQAJ-UHFFFAOYSA-N 1 1 416.525 4.388 20 30 HIEDMO Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317617 914914254 /nfs/dbraw/zinc/91/42/54/914914254.db2.gz YXEGXZXFUXBCEA-UIOOFZCWSA-N 1 1 400.522 4.466 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506477453 915080337 /nfs/dbraw/zinc/08/03/37/915080337.db2.gz BEBUMAHQDXIQSA-XZOQPEGZSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506529782 915172320 /nfs/dbraw/zinc/17/23/20/915172320.db2.gz CTAOTXFEFVUBAS-SFHVURJKSA-N 1 1 405.517 4.277 20 30 HIEDMO N#Cc1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 ZINC000506740386 915428224 /nfs/dbraw/zinc/42/82/24/915428224.db2.gz AKHXTLSPLYWVIX-UHFFFAOYSA-N 1 1 403.442 4.198 20 30 HIEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000513406266 921775375 /nfs/dbraw/zinc/77/53/75/921775375.db2.gz OUTBHNCUDUUJCK-NRFANRHFSA-N 1 1 402.498 4.011 20 30 HIEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000507132744 915882624 /nfs/dbraw/zinc/88/26/24/915882624.db2.gz VYDPUTRKOLJTKV-UHFFFAOYSA-N 1 1 408.452 4.420 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225925 915979732 /nfs/dbraw/zinc/97/97/32/915979732.db2.gz ACHKRCZPVAUWSK-YKSBVNFPSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225925 915979741 /nfs/dbraw/zinc/97/97/41/915979741.db2.gz ACHKRCZPVAUWSK-YKSBVNFPSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000507222867 915977469 /nfs/dbraw/zinc/97/74/69/915977469.db2.gz XDERNKOAIGWCMO-FQEVSTJZSA-N 1 1 419.550 4.102 20 30 HIEDMO C=CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256454 916017398 /nfs/dbraw/zinc/01/73/98/916017398.db2.gz CUWLNBMZENPHQT-LOSJGSFVSA-N 1 1 418.581 4.391 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000507689409 916462385 /nfs/dbraw/zinc/46/23/85/916462385.db2.gz SMEKFWWIRNPAFV-WZONZLPQSA-N 1 1 421.541 4.322 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507787923 916571142 /nfs/dbraw/zinc/57/11/42/916571142.db2.gz WRCACSOIQHFHCX-SFHVURJKSA-N 1 1 409.555 4.066 20 30 HIEDMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800394 916583722 /nfs/dbraw/zinc/58/37/22/916583722.db2.gz AQONRYNZXRAFBH-UTKZUKDTSA-N 1 1 409.555 4.215 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1 ZINC000507871030 916707824 /nfs/dbraw/zinc/70/78/24/916707824.db2.gz CFWHWIKGSOBJBJ-DEOSSOPVSA-N 1 1 403.526 4.155 20 30 HIEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)cc1 ZINC000507877243 916719101 /nfs/dbraw/zinc/71/91/01/916719101.db2.gz VSIYZMDPADKKAA-LJQANCHMSA-N 1 1 401.514 4.153 20 30 HIEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)cc1 ZINC000507877243 916719130 /nfs/dbraw/zinc/71/91/30/916719130.db2.gz VSIYZMDPADKKAA-LJQANCHMSA-N 1 1 401.514 4.153 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cc(Br)cc4cccnc43)CC2)cc1 ZINC000508147045 916968154 /nfs/dbraw/zinc/96/81/54/916968154.db2.gz DKOMMOYHCPQCCN-UHFFFAOYSA-N 1 1 421.342 4.187 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000508252606 917071618 /nfs/dbraw/zinc/07/16/18/917071618.db2.gz QBFIFUHQXVVIFR-VQTJNVASSA-N 1 1 406.486 4.107 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000508289840 917100589 /nfs/dbraw/zinc/10/05/89/917100589.db2.gz FJFXKNOGHKYDMZ-LJQANCHMSA-N 1 1 420.469 4.377 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117223 /nfs/dbraw/zinc/11/72/23/917117223.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 1 1 418.585 4.138 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508587740 917359333 /nfs/dbraw/zinc/35/93/33/917359333.db2.gz LUFHFQKGEFPDKU-NRFANRHFSA-N 1 1 417.431 4.350 20 30 HIEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000508643898 917408546 /nfs/dbraw/zinc/40/85/46/917408546.db2.gz QUCOFXRVMBZUDE-UHFFFAOYSA-N 1 1 411.465 4.190 20 30 HIEDMO Cc1[nH]nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000508766967 917522879 /nfs/dbraw/zinc/52/28/79/917522879.db2.gz ARBDDSWZJMNSMD-LEWJYISDSA-N 1 1 419.916 4.098 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508810839 917565832 /nfs/dbraw/zinc/56/58/32/917565832.db2.gz QCHFGSCCGALCTR-SFHVURJKSA-N 1 1 423.586 4.008 20 30 HIEDMO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508847742 917600894 /nfs/dbraw/zinc/60/08/94/917600894.db2.gz LJOMTGQUYRBXBV-IRLDBZIGSA-N 1 1 421.589 4.059 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508884730 917638169 /nfs/dbraw/zinc/63/81/69/917638169.db2.gz JEFOICTZIIOZTD-IRLDBZIGSA-N 1 1 421.589 4.113 20 30 HIEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508895013 917651078 /nfs/dbraw/zinc/65/10/78/917651078.db2.gz MTCJCSBTPRJIMC-MOPGFXCFSA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000508914453 917671732 /nfs/dbraw/zinc/67/17/32/917671732.db2.gz UGALMHKZTHQOAG-LJQANCHMSA-N 1 1 423.605 4.118 20 30 HIEDMO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508930312 917688174 /nfs/dbraw/zinc/68/81/74/917688174.db2.gz KSRKVIJJUJRVIJ-INIZCTEOSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508952291 917708095 /nfs/dbraw/zinc/70/80/95/917708095.db2.gz PBVKYWPNYVMWIU-FQEVSTJZSA-N 1 1 403.574 4.376 20 30 HIEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000509000777 917755061 /nfs/dbraw/zinc/75/50/61/917755061.db2.gz KMRMTRCWXBZYSG-HXUWFJFHSA-N 1 1 408.594 4.315 20 30 HIEDMO CC1(c2cccc(Br)c2)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000509081124 917825222 /nfs/dbraw/zinc/82/52/22/917825222.db2.gz SHDBSUYFMMTWBE-UHFFFAOYSA-N 1 1 418.360 4.374 20 30 HIEDMO C=CCSCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181346 917891516 /nfs/dbraw/zinc/89/15/16/917891516.db2.gz VZNRUVUJJZGEHX-FUHWJXTLSA-N 1 1 415.525 4.307 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509597553 918247752 /nfs/dbraw/zinc/24/77/52/918247752.db2.gz BLFMMCCKRQDBME-MGPUTAFESA-N 1 1 405.468 4.220 20 30 HIEDMO N#Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000510891143 919388402 /nfs/dbraw/zinc/38/84/02/919388402.db2.gz BKRYQYBNZHQENT-LOSJGSFVSA-N 1 1 410.521 4.026 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511136641 919752372 /nfs/dbraw/zinc/75/23/72/919752372.db2.gz JSCWFWFZMVXUTI-LJQANCHMSA-N 1 1 401.432 4.073 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511137329 919755148 /nfs/dbraw/zinc/75/51/48/919755148.db2.gz LSNLFGFVRIBABS-QGZVFWFLSA-N 1 1 419.447 4.395 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511137329 919755157 /nfs/dbraw/zinc/75/51/57/919755157.db2.gz LSNLFGFVRIBABS-QGZVFWFLSA-N 1 1 419.447 4.395 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511138676 919757257 /nfs/dbraw/zinc/75/72/57/919757257.db2.gz FYFJJAURSZIUNV-UHFFFAOYSA-N 1 1 411.811 4.223 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511138676 919757266 /nfs/dbraw/zinc/75/72/66/919757266.db2.gz FYFJJAURSZIUNV-UHFFFAOYSA-N 1 1 411.811 4.223 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000511322688 919913985 /nfs/dbraw/zinc/91/39/85/919913985.db2.gz RYGXNBSLMMBARL-LEWJYISDSA-N 1 1 404.514 4.080 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782161 920473531 /nfs/dbraw/zinc/47/35/31/920473531.db2.gz XEWBHLKLDQMIJI-PFATUAPWSA-N 1 1 413.521 4.242 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512352543 921097842 /nfs/dbraw/zinc/09/78/42/921097842.db2.gz NVIROEBEKBTPEL-XMSQKQJNSA-N 1 1 423.582 4.249 20 30 HIEDMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513982452 922304435 /nfs/dbraw/zinc/30/44/35/922304435.db2.gz CTZQZCPFEVDBJA-UHFFFAOYSA-N 1 1 402.589 4.237 20 30 HIEDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513982452 922304449 /nfs/dbraw/zinc/30/44/49/922304449.db2.gz CTZQZCPFEVDBJA-UHFFFAOYSA-N 1 1 402.589 4.237 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2C)cc1 ZINC000514173832 922511468 /nfs/dbraw/zinc/51/14/68/922511468.db2.gz HRRYNNZUKDCKKA-HSZRJFAPSA-N 1 1 405.542 4.348 20 30 HIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000514693220 922759681 /nfs/dbraw/zinc/75/96/81/922759681.db2.gz KZIMLYLXUYALOQ-UHFFFAOYSA-N 1 1 410.562 4.044 20 30 HIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000514693220 922759688 /nfs/dbraw/zinc/75/96/88/922759688.db2.gz KZIMLYLXUYALOQ-UHFFFAOYSA-N 1 1 410.562 4.044 20 30 HIEDMO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000514831407 922818350 /nfs/dbraw/zinc/81/83/50/922818350.db2.gz NAFDWVYOAGALLL-GCJKJVERSA-N 1 1 400.530 4.016 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1cccs1 ZINC000514852999 922825784 /nfs/dbraw/zinc/82/57/84/922825784.db2.gz YQDNMLWIRUIWBK-KNQAVFIVSA-N 1 1 408.571 4.377 20 30 HIEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000515147402 922950969 /nfs/dbraw/zinc/95/09/69/922950969.db2.gz LOGLIVQRLMSGGG-UHFFFAOYSA-N 1 1 416.997 4.151 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c(-c2ccncc2)n1 ZINC000516638646 923824881 /nfs/dbraw/zinc/82/48/81/923824881.db2.gz NQYYKVKNZYNBMI-UHFFFAOYSA-N 1 1 421.373 4.446 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)N(CCC#N)c1ccccc1 ZINC000518842156 927542145 /nfs/dbraw/zinc/54/21/45/927542145.db2.gz JGKBWUBUANJHGQ-UHFFFAOYSA-N 1 1 419.504 4.027 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849239 927554210 /nfs/dbraw/zinc/55/42/10/927554210.db2.gz VNXRGEGSXQDIBM-FXAWDEMLSA-N 1 1 419.422 4.438 20 30 HIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C#N)cc1 ZINC000519908504 928142654 /nfs/dbraw/zinc/14/26/54/928142654.db2.gz ASRXAAMSLCYLAO-UHFFFAOYSA-N 1 1 418.541 4.172 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520316596 928479158 /nfs/dbraw/zinc/47/91/58/928479158.db2.gz XXXTVLHGCLUHAZ-LJQANCHMSA-N 1 1 412.493 4.092 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520316596 928479170 /nfs/dbraw/zinc/47/91/70/928479170.db2.gz XXXTVLHGCLUHAZ-LJQANCHMSA-N 1 1 412.493 4.092 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000520383039 928536465 /nfs/dbraw/zinc/53/64/65/928536465.db2.gz ZAETYOXKVGNFLD-RUZDIDTESA-N 1 1 418.541 4.475 20 30 HIEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000520940422 928883088 /nfs/dbraw/zinc/88/30/88/928883088.db2.gz QUTCTAQGYAARKK-ROUUACIJSA-N 1 1 422.529 4.360 20 30 HIEDMO COc1ccc(OC(C)C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000521654416 929348088 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ZINC000532455327 931442659 /nfs/dbraw/zinc/44/26/59/931442659.db2.gz MUANUTBOPXMCPD-GOSISDBHSA-N 1 1 421.570 4.041 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C3CCOCC3)sc2C1 ZINC000532587746 931543711 /nfs/dbraw/zinc/54/37/11/931543711.db2.gz URYJPVGVYPWDCF-HNNXBMFYSA-N 1 1 403.592 4.210 20 30 HIEDMO C[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753263 931622555 /nfs/dbraw/zinc/62/25/55/931622555.db2.gz QDOWAVYSHXPURI-XMMPIXPASA-N 1 1 422.532 4.420 20 30 HIEDMO C[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753263 931622557 /nfs/dbraw/zinc/62/25/57/931622557.db2.gz QDOWAVYSHXPURI-XMMPIXPASA-N 1 1 422.532 4.420 20 30 HIEDMO C=CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000532754018 931623230 /nfs/dbraw/zinc/62/32/30/931623230.db2.gz IVBAZHJHMMKKFU-UHFFFAOYSA-N 1 1 407.879 4.296 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970896 931720204 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ZINC000534340408 932386223 /nfs/dbraw/zinc/38/62/23/932386223.db2.gz BJJLKWIKLCVNLD-UHFFFAOYSA-N 1 1 411.505 4.401 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)sc2C1 ZINC000534512899 932540547 /nfs/dbraw/zinc/54/05/47/932540547.db2.gz IHWBAYHVBXZYMV-AWEZNQCLSA-N 1 1 424.526 4.040 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)sc2C1 ZINC000534512899 932540560 /nfs/dbraw/zinc/54/05/60/932540560.db2.gz IHWBAYHVBXZYMV-AWEZNQCLSA-N 1 1 424.526 4.040 20 30 HIEDMO C=C(C)[C@@H](CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000535154713 932972385 /nfs/dbraw/zinc/97/23/85/932972385.db2.gz PRSXIKYPBZAJRR-HXUWFJFHSA-N 1 1 412.496 4.500 20 30 HIEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000535667687 933313476 /nfs/dbraw/zinc/31/34/76/933313476.db2.gz NWOHIHWPVXBZKA-OAQYLSRUSA-N 1 1 405.502 4.035 20 30 HIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000535667687 933313482 /nfs/dbraw/zinc/31/34/82/933313482.db2.gz NWOHIHWPVXBZKA-OAQYLSRUSA-N 1 1 405.502 4.035 20 30 HIEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535678299 933329633 /nfs/dbraw/zinc/32/96/33/933329633.db2.gz XXOZLDMYQCZNOQ-UZLBHIALSA-N 1 1 400.885 4.474 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562571303 945100073 /nfs/dbraw/zinc/10/00/73/945100073.db2.gz PJPHQDRKRRNAPK-SFHVURJKSA-N 1 1 407.518 4.235 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000537615549 938333759 /nfs/dbraw/zinc/33/37/59/938333759.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000537615549 938333763 /nfs/dbraw/zinc/33/37/63/938333763.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000537615549 938333769 /nfs/dbraw/zinc/33/37/69/938333769.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000537615549 938333772 /nfs/dbraw/zinc/33/37/72/938333772.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000537615548 938334065 /nfs/dbraw/zinc/33/40/65/938334065.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000537615548 938334067 /nfs/dbraw/zinc/33/40/67/938334067.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000537615548 938334070 /nfs/dbraw/zinc/33/40/70/938334070.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000537615548 938334074 /nfs/dbraw/zinc/33/40/74/938334074.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538121683 938509290 /nfs/dbraw/zinc/50/92/90/938509290.db2.gz DSRQVUPPBOFWJZ-LJQANCHMSA-N 1 1 405.395 4.169 20 30 HIEDMO C=CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731705 938695318 /nfs/dbraw/zinc/69/53/18/938695318.db2.gz HHODLHRUNGWQOX-GOSISDBHSA-N 1 1 407.518 4.207 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(OCC3CC3)CC2)cc1OC ZINC000538751057 938702231 /nfs/dbraw/zinc/70/22/31/938702231.db2.gz NPRTZZPJALRZNC-UHFFFAOYSA-N 1 1 410.352 4.414 20 30 HIEDMO C=CC[C@@H](CO)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000539229695 938822331 /nfs/dbraw/zinc/82/23/31/938822331.db2.gz SZCYYCYBQYBFPQ-CQSZACIVSA-N 1 1 413.465 4.121 20 30 HIEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539287062 938833907 /nfs/dbraw/zinc/83/39/07/938833907.db2.gz NWHPLRXHEGDKAW-QGZVFWFLSA-N 1 1 413.493 4.057 20 30 HIEDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Br ZINC000539325207 938841763 /nfs/dbraw/zinc/84/17/63/938841763.db2.gz TWYADHMQMGZGSD-UHFFFAOYSA-N 1 1 406.711 4.438 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000539378516 938851615 /nfs/dbraw/zinc/85/16/15/938851615.db2.gz DOUUIKKTTWPKOM-FQEVSTJZSA-N 1 1 403.885 4.012 20 30 HIEDMO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000539457638 938863467 /nfs/dbraw/zinc/86/34/67/938863467.db2.gz GNDYVJKMZWZTSP-SFTDATJTSA-N 1 1 417.985 4.013 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1OC ZINC000539817784 938941790 /nfs/dbraw/zinc/94/17/90/938941790.db2.gz NPRGRKGQXILEMX-FQEVSTJZSA-N 1 1 410.352 4.415 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ncc(C)s2)cc1OC ZINC000539824208 938946426 /nfs/dbraw/zinc/94/64/26/938946426.db2.gz DDFBJDOQHVCOTO-UHFFFAOYSA-N 1 1 411.365 4.462 20 30 HIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000539827875 938949184 /nfs/dbraw/zinc/94/91/84/938949184.db2.gz LXKLAWYPRPZZDM-QHCPKHFHSA-N 1 1 413.525 4.091 20 30 HIEDMO CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000540052813 939051250 /nfs/dbraw/zinc/05/12/50/939051250.db2.gz JFMVGBGGVGJMID-INIZCTEOSA-N 1 1 410.381 4.070 20 30 HIEDMO COCC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000540197625 939122653 /nfs/dbraw/zinc/12/26/53/939122653.db2.gz WKTHKUXEODJGOX-UHFFFAOYSA-N 1 1 400.567 4.169 20 30 HIEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1F ZINC000540345483 939201636 /nfs/dbraw/zinc/20/16/36/939201636.db2.gz OUMSQUUQSJVEJK-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540519919 939285552 /nfs/dbraw/zinc/28/55/52/939285552.db2.gz LSKKOIAIYNLMFS-UHFFFAOYSA-N 1 1 411.571 4.100 20 30 HIEDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540708210 939344832 /nfs/dbraw/zinc/34/48/32/939344832.db2.gz NPWLBWOMJBVRDG-HNNXBMFYSA-N 1 1 420.454 4.319 20 30 HIEDMO N#CCC1CC[NH+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)CC1 ZINC000541019572 939431844 /nfs/dbraw/zinc/43/18/44/939431844.db2.gz JLOMSCJUPDAZGP-HXUWFJFHSA-N 1 1 416.481 4.329 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(OC(F)F)c1 ZINC000542058430 939701111 /nfs/dbraw/zinc/70/11/11/939701111.db2.gz WQNVDTZESWYBPB-AWEZNQCLSA-N 1 1 400.351 4.212 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(OC(F)F)c1 ZINC000542058430 939701113 /nfs/dbraw/zinc/70/11/13/939701113.db2.gz WQNVDTZESWYBPB-AWEZNQCLSA-N 1 1 400.351 4.212 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000542410484 939816659 /nfs/dbraw/zinc/81/66/59/939816659.db2.gz OSWISUATWFTYQH-VXKWHMMOSA-N 1 1 408.933 4.331 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000542410484 939816660 /nfs/dbraw/zinc/81/66/60/939816660.db2.gz OSWISUATWFTYQH-VXKWHMMOSA-N 1 1 408.933 4.331 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533294 939838760 /nfs/dbraw/zinc/83/87/60/939838760.db2.gz LSZIEDMBXCCGCU-CEXWTWQISA-N 1 1 414.619 4.262 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C2CC2)cc1 ZINC000543245913 940006934 /nfs/dbraw/zinc/00/69/34/940006934.db2.gz XHYBLALCZBGXOT-UHFFFAOYSA-N 1 1 405.832 4.416 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C2CC2)cc1 ZINC000543245913 940006939 /nfs/dbraw/zinc/00/69/39/940006939.db2.gz XHYBLALCZBGXOT-UHFFFAOYSA-N 1 1 405.832 4.416 20 30 HIEDMO Cc1sc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000543503198 940087926 /nfs/dbraw/zinc/08/79/26/940087926.db2.gz GAEFBDMVQPAGNW-FKIZINRSSA-N 1 1 402.951 4.231 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543585050 940119653 /nfs/dbraw/zinc/11/96/53/940119653.db2.gz FFYLVUZYEYEIKY-CVEARBPZSA-N 1 1 401.576 4.107 20 30 HIEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608365 940129463 /nfs/dbraw/zinc/12/94/63/940129463.db2.gz GKQANXPRUYOMFK-JKSUJKDBSA-N 1 1 412.921 4.347 20 30 HIEDMO CC1(C#N)CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000544104152 940327250 /nfs/dbraw/zinc/32/72/50/940327250.db2.gz DIPVWQRJNFISPS-UHFFFAOYSA-N 1 1 409.361 4.293 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C2CC2)cc1 ZINC000544184356 940346764 /nfs/dbraw/zinc/34/67/64/940346764.db2.gz YKQLLWGRSSBXDW-UHFFFAOYSA-N 1 1 411.509 4.224 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C2CC2)cc1 ZINC000544184356 940346768 /nfs/dbraw/zinc/34/67/68/940346768.db2.gz YKQLLWGRSSBXDW-UHFFFAOYSA-N 1 1 411.509 4.224 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)s1 ZINC000544424443 940423380 /nfs/dbraw/zinc/42/33/80/940423380.db2.gz GOQRHUSPHJDUPG-HXUWFJFHSA-N 1 1 423.542 4.062 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)s1 ZINC000544424439 940423590 /nfs/dbraw/zinc/42/35/90/940423590.db2.gz GOQRHUSPHJDUPG-FQEVSTJZSA-N 1 1 423.542 4.062 20 30 HIEDMO CC[NH+]1CCN(c2ccc(-c3noc(CSc4ccc(C#N)cc4)n3)cc2F)CC1 ZINC000544495191 940456216 /nfs/dbraw/zinc/45/62/16/940456216.db2.gz NSRZZIGLGYTYBF-UHFFFAOYSA-N 1 1 423.517 4.182 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546708198 940871581 /nfs/dbraw/zinc/87/15/81/940871581.db2.gz XIDXIRRHCLIZTI-FOIQADDNSA-N 1 1 416.884 4.174 20 30 HIEDMO N#Cc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC000548420400 941102208 /nfs/dbraw/zinc/10/22/08/941102208.db2.gz XMQZPXIDHDJDJY-QGZVFWFLSA-N 1 1 419.422 4.224 20 30 HIEDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934637 941130720 /nfs/dbraw/zinc/13/07/20/941130720.db2.gz MNBFOJPWGRTNFB-QVGHQYEOSA-N 1 1 418.537 4.070 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935747 941130965 /nfs/dbraw/zinc/13/09/65/941130965.db2.gz VPKYWMJWGGPABH-VQIMIIECSA-N 1 1 423.479 4.385 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935747 941130969 /nfs/dbraw/zinc/13/09/69/941130969.db2.gz VPKYWMJWGGPABH-VQIMIIECSA-N 1 1 423.479 4.385 20 30 HIEDMO CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549118253 941161864 /nfs/dbraw/zinc/16/18/64/941161864.db2.gz JWFQZHWGVXFNSZ-RUZDIDTESA-N 1 1 403.570 4.498 20 30 HIEDMO CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549118253 941161865 /nfs/dbraw/zinc/16/18/65/941161865.db2.gz JWFQZHWGVXFNSZ-RUZDIDTESA-N 1 1 403.570 4.498 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549286055 941176941 /nfs/dbraw/zinc/17/69/41/941176941.db2.gz QQYMSWPDLNWTAH-IRLDBZIGSA-N 1 1 418.589 4.484 20 30 HIEDMO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549287189 941177069 /nfs/dbraw/zinc/17/70/69/941177069.db2.gz HNOPBGVIQNUDHE-REWPJTCUSA-N 1 1 421.589 4.195 20 30 HIEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000549540621 941198696 /nfs/dbraw/zinc/19/86/96/941198696.db2.gz QMKPUKVGLKVXJP-JOCHJYFZSA-N 1 1 414.557 4.033 20 30 HIEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000549541982 941198795 /nfs/dbraw/zinc/19/87/95/941198795.db2.gz JIMWLLZMSSEUBJ-HNAYVOBHSA-N 1 1 416.447 4.270 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549667833 941203655 /nfs/dbraw/zinc/20/36/55/941203655.db2.gz IZDBVYNVOIKONK-UHFFFAOYSA-N 1 1 416.573 4.342 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063165 941277229 /nfs/dbraw/zinc/27/72/29/941277229.db2.gz IAEKQQYKISEUCP-RUZDIDTESA-N 1 1 408.542 4.376 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000551261656 941438370 /nfs/dbraw/zinc/43/83/70/941438370.db2.gz LMAHGOZCGQTVKZ-MRXNPFEDSA-N 1 1 416.875 4.258 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000551261656 941438372 /nfs/dbraw/zinc/43/83/72/941438372.db2.gz LMAHGOZCGQTVKZ-MRXNPFEDSA-N 1 1 416.875 4.258 20 30 HIEDMO N#CCCn1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c(-c2ccccc2)n1 ZINC000552041854 941572766 /nfs/dbraw/zinc/57/27/66/941572766.db2.gz NHAVFHIYGVPSLU-UHFFFAOYSA-N 1 1 407.468 4.064 20 30 HIEDMO N#Cc1ccc(CSc2ccccc2C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000552447316 941674204 /nfs/dbraw/zinc/67/42/04/941674204.db2.gz MDNKTBFBFCPTLB-UHFFFAOYSA-N 1 1 402.523 4.313 20 30 HIEDMO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553335214 941869435 /nfs/dbraw/zinc/86/94/35/941869435.db2.gz UASXKGSTNUQTGM-XMMPIXPASA-N 1 1 404.464 4.487 20 30 HIEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000553675123 941942274 /nfs/dbraw/zinc/94/22/74/941942274.db2.gz PBEMSOYBLIINJG-GOSISDBHSA-N 1 1 403.404 4.102 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCc3cc(OC)ccc32)cc1 ZINC000553832520 941979853 /nfs/dbraw/zinc/97/98/53/941979853.db2.gz KKTZSJMYAHSGNY-XMMPIXPASA-N 1 1 421.541 4.350 20 30 HIEDMO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@H+](C2CCC2)C1 ZINC000553863278 941985991 /nfs/dbraw/zinc/98/59/91/941985991.db2.gz UEXDYQAOXMUWJC-IBGZPJMESA-N 1 1 403.526 4.491 20 30 HIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000554558346 942167518 /nfs/dbraw/zinc/16/75/18/942167518.db2.gz OAAAYHIAAIFDLC-UHFFFAOYSA-N 1 1 422.330 4.087 20 30 HIEDMO CCOc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)cc1 ZINC000554797996 942244019 /nfs/dbraw/zinc/24/40/19/942244019.db2.gz BVTIJRBCZWJSGY-DEOSSOPVSA-N 1 1 420.534 4.110 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1OC ZINC000554877820 942305040 /nfs/dbraw/zinc/30/50/40/942305040.db2.gz SGNJMCRTKPUFPE-GFCCVEGCSA-N 1 1 406.267 4.084 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1OC ZINC000554877820 942305046 /nfs/dbraw/zinc/30/50/46/942305046.db2.gz SGNJMCRTKPUFPE-GFCCVEGCSA-N 1 1 406.267 4.084 20 30 HIEDMO N#Cc1c(NC(=O)CCN2CCC[N@H+](C3CCCC3)CC2)sc2c1CCCCC2 ZINC000554890273 942310137 /nfs/dbraw/zinc/31/01/37/942310137.db2.gz MNPZNWMGKZYAKF-UHFFFAOYSA-N 1 1 414.619 4.168 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)c1C#N ZINC000554977194 942340532 /nfs/dbraw/zinc/34/05/32/942340532.db2.gz ZIYNWKFHGBWSLP-XMMPIXPASA-N 1 1 400.478 4.427 20 30 HIEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)ccc1F ZINC000556455866 942872906 /nfs/dbraw/zinc/87/29/06/942872906.db2.gz HPTVKLBQCLXTHF-UHFFFAOYSA-N 1 1 406.288 4.399 20 30 HIEDMO COc1cc(C[N@H+](CCC#N)C(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000556812099 942935227 /nfs/dbraw/zinc/93/52/27/942935227.db2.gz YJZFUONQOZYQTJ-UHFFFAOYSA-N 1 1 415.921 4.490 20 30 HIEDMO COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000556812099 942935234 /nfs/dbraw/zinc/93/52/34/942935234.db2.gz YJZFUONQOZYQTJ-UHFFFAOYSA-N 1 1 415.921 4.490 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556954529 942978442 /nfs/dbraw/zinc/97/84/42/942978442.db2.gz BEKJQVINVXSMDD-IFXJQAMLSA-N 1 1 406.288 4.427 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)CC2)c1 ZINC000556956300 942979488 /nfs/dbraw/zinc/97/94/88/942979488.db2.gz LZEPMZWVVMTDKT-UHFFFAOYSA-N 1 1 417.528 4.244 20 30 HIEDMO C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@H+](C2CCC2)C1 ZINC000557835975 943308194 /nfs/dbraw/zinc/30/81/94/943308194.db2.gz BLMBDKJCUSAXGD-LJQANCHMSA-N 1 1 403.526 4.084 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000559022782 943807490 /nfs/dbraw/zinc/80/74/90/943807490.db2.gz RZIQGTJMIWSHRV-PUHATCMVSA-N 1 1 423.605 4.268 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000559056613 943817515 /nfs/dbraw/zinc/81/75/15/943817515.db2.gz UIHNIXFAKSGYBP-OAHLLOKOSA-N 1 1 416.447 4.276 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000559131380 943850480 /nfs/dbraw/zinc/85/04/80/943850480.db2.gz ZDAOKWVDWXPKQS-IIDMSEBBSA-N 1 1 419.451 4.126 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728749 944038436 /nfs/dbraw/zinc/03/84/36/944038436.db2.gz CKEQTYZCZRKXNH-SFHVURJKSA-N 1 1 423.538 4.045 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976858 944106632 /nfs/dbraw/zinc/10/66/32/944106632.db2.gz QROUKDZRHZJNEP-MRXNPFEDSA-N 1 1 408.571 4.025 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@H]1CCCCO1 ZINC000561007330 944393942 /nfs/dbraw/zinc/39/39/42/944393942.db2.gz NNKODICOOOIVEE-HXUWFJFHSA-N 1 1 400.567 4.311 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000562095947 944936445 /nfs/dbraw/zinc/93/64/45/944936445.db2.gz NGAQEVGSQSVDMI-UHFFFAOYSA-N 1 1 407.518 4.330 20 30 HIEDMO CC(=O)NCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCSCC1 ZINC000564103939 945379912 /nfs/dbraw/zinc/37/99/12/945379912.db2.gz RRTPAJONXIBFOF-UHFFFAOYSA-N 1 1 421.610 4.220 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564124786 945390078 /nfs/dbraw/zinc/39/00/78/945390078.db2.gz RJJKYHRYNBOZCV-OAHLLOKOSA-N 1 1 405.420 4.053 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564124786 945390092 /nfs/dbraw/zinc/39/00/92/945390092.db2.gz RJJKYHRYNBOZCV-OAHLLOKOSA-N 1 1 405.420 4.053 20 30 HIEDMO COc1cc(C[NH2+]CC2(C#N)CC2)cc(Br)c1OCc1ccccc1 ZINC000564398369 945553838 /nfs/dbraw/zinc/55/38/38/945553838.db2.gz VMHQJKBCAKBTIH-UHFFFAOYSA-N 1 1 401.304 4.430 20 30 HIEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000564592974 945692957 /nfs/dbraw/zinc/69/29/57/945692957.db2.gz GIWLEUXGXDWYJK-IBGZPJMESA-N 1 1 423.866 4.496 20 30 HIEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000564592974 945692964 /nfs/dbraw/zinc/69/29/64/945692964.db2.gz GIWLEUXGXDWYJK-IBGZPJMESA-N 1 1 423.866 4.496 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000566666413 946069338 /nfs/dbraw/zinc/06/93/38/946069338.db2.gz IZXSGASLVYVLAD-QGZVFWFLSA-N 1 1 407.514 4.205 20 30 HIEDMO C[N@@H+](CCO)Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1Cl ZINC000566878411 946144292 /nfs/dbraw/zinc/14/42/92/946144292.db2.gz VBTWWQXGQXUZIM-UHFFFAOYSA-N 1 1 423.948 4.153 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087313 946237691 /nfs/dbraw/zinc/23/76/91/946237691.db2.gz PRGWEEZOPXCZDR-GHTZIAJQSA-N 1 1 413.587 4.251 20 30 HIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000567542477 946369037 /nfs/dbraw/zinc/36/90/37/946369037.db2.gz JKKYEICOFZMSRF-AREMUKBSSA-N 1 1 411.354 4.121 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000567542477 946369050 /nfs/dbraw/zinc/36/90/50/946369050.db2.gz JKKYEICOFZMSRF-AREMUKBSSA-N 1 1 411.354 4.121 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000568536823 946580471 /nfs/dbraw/zinc/58/04/71/946580471.db2.gz WDVJZNDUVVBKFZ-IRLDBZIGSA-N 1 1 418.589 4.484 20 30 HIEDMO N#Cc1csc(C[NH2+]CCOc2c(Cl)cc(Br)cc2Cl)n1 ZINC000568568975 946605845 /nfs/dbraw/zinc/60/58/45/946605845.db2.gz WPTLJNXOVAFRND-UHFFFAOYSA-N 1 1 407.120 4.253 20 30 HIEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570546175 947285512 /nfs/dbraw/zinc/28/55/12/947285512.db2.gz IQSHJGHFTFIIES-CQSZACIVSA-N 1 1 406.313 4.341 20 30 HIEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570546175 947285543 /nfs/dbraw/zinc/28/55/43/947285543.db2.gz IQSHJGHFTFIIES-CQSZACIVSA-N 1 1 406.313 4.341 20 30 HIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000572797937 948013544 /nfs/dbraw/zinc/01/35/44/948013544.db2.gz MALRRAZQOKPPNI-UHFFFAOYSA-N 1 1 413.521 4.236 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000572797937 948013559 /nfs/dbraw/zinc/01/35/59/948013559.db2.gz MALRRAZQOKPPNI-UHFFFAOYSA-N 1 1 413.521 4.236 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573046649 948069871 /nfs/dbraw/zinc/06/98/71/948069871.db2.gz FVYZWDYETITASD-RXVVDRJESA-N 1 1 406.530 4.474 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573113498 948080989 /nfs/dbraw/zinc/08/09/89/948080989.db2.gz VBVZEQYKVLJJCX-UYAOXDASSA-N 1 1 414.912 4.398 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573113498 948081002 /nfs/dbraw/zinc/08/10/02/948081002.db2.gz VBVZEQYKVLJJCX-UYAOXDASSA-N 1 1 414.912 4.398 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000573410827 948198609 /nfs/dbraw/zinc/19/86/09/948198609.db2.gz IZXJVXKIOZZRDX-QGZVFWFLSA-N 1 1 402.454 4.065 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)o2)cc1 ZINC000573766353 948294512 /nfs/dbraw/zinc/29/45/12/948294512.db2.gz UWFWQWCHQXIJBK-UHFFFAOYSA-N 1 1 403.417 4.268 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000574608236 948490669 /nfs/dbraw/zinc/49/06/69/948490669.db2.gz PNBJORNPOYBYTE-IBGZPJMESA-N 1 1 409.338 4.380 20 30 HIEDMO Cn1cc(-c2ccc(C[NH+]3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)s2)cn1 ZINC000575141174 948602803 /nfs/dbraw/zinc/60/28/03/948602803.db2.gz MGWFENHJYAQZNG-FQEVSTJZSA-N 1 1 411.962 4.184 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629780 719076202 /nfs/dbraw/zinc/07/62/02/719076202.db2.gz YZQKCHIDSALNDA-VQIMIIECSA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628834 719089824 /nfs/dbraw/zinc/08/98/24/719089824.db2.gz OXGQIWUYJCALLE-LPHOPBHVSA-N 1 1 402.876 4.252 20 30 HIEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)c(C#N)cc2Cl)CC3)cs1 ZINC001164698530 719816454 /nfs/dbraw/zinc/81/64/54/719816454.db2.gz DLQYXPFOXSJGAY-UHFFFAOYSA-N 1 1 401.967 4.315 20 30 HIEDMO N#Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)cc1Cl ZINC001164707495 719903897 /nfs/dbraw/zinc/90/38/97/719903897.db2.gz RPTWGBQIMKDXOJ-UHFFFAOYSA-N 1 1 423.369 4.193 20 30 HIEDMO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5ccc(C#N)cc5)CC4)c23)C1 ZINC000007981195 845458156 /nfs/dbraw/zinc/45/81/56/845458156.db2.gz UTCUGPMVUBOJLC-MRXNPFEDSA-N 1 1 403.555 4.010 20 30 HIEDMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015103523 846009510 /nfs/dbraw/zinc/00/95/10/846009510.db2.gz CSLBQTFAHCLCCM-UHFFFAOYSA-N 1 1 417.962 4.491 20 30 HIEDMO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000023753394 846745443 /nfs/dbraw/zinc/74/54/43/846745443.db2.gz YAOYIEDCNRAUOJ-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000023753394 846745449 /nfs/dbraw/zinc/74/54/49/846745449.db2.gz YAOYIEDCNRAUOJ-UHFFFAOYSA-N 1 1 416.550 4.338 20 30 HIEDMO Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000024949941 846894854 /nfs/dbraw/zinc/89/48/54/846894854.db2.gz JPRYITBXRZNHTM-UHFFFAOYSA-N 1 1 411.509 4.112 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453321 847149253 /nfs/dbraw/zinc/14/92/53/847149253.db2.gz IJWDDPUKRNQCOY-GFCCVEGCSA-N 1 1 423.847 4.281 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453321 847149259 /nfs/dbraw/zinc/14/92/59/847149259.db2.gz IJWDDPUKRNQCOY-GFCCVEGCSA-N 1 1 423.847 4.281 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453320 847151017 /nfs/dbraw/zinc/15/10/17/847151017.db2.gz IJWDDPUKRNQCOY-LBPRGKRZSA-N 1 1 423.847 4.281 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453320 847151027 /nfs/dbraw/zinc/15/10/27/847151027.db2.gz IJWDDPUKRNQCOY-LBPRGKRZSA-N 1 1 423.847 4.281 20 30 HIEDMO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208188 847266608 /nfs/dbraw/zinc/26/66/08/847266608.db2.gz OLZZEWNCDIWWBL-AHWVRZQESA-N 1 1 400.522 4.466 20 30 HIEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccccc1 ZINC000027235857 847271399 /nfs/dbraw/zinc/27/13/99/847271399.db2.gz MIKNPLKNXHAZOB-UHFFFAOYSA-N 1 1 405.498 4.107 20 30 HIEDMO C=CCc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OC ZINC000027347859 847287149 /nfs/dbraw/zinc/28/71/49/847287149.db2.gz RBVHNKMPSSLLHJ-LJQANCHMSA-N 1 1 402.922 4.118 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c1C#N ZINC000029486853 847569186 /nfs/dbraw/zinc/56/91/86/847569186.db2.gz AHJGZGBCSUUTLT-JOCHJYFZSA-N 1 1 402.498 4.176 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831047 847628194 /nfs/dbraw/zinc/62/81/94/847628194.db2.gz KCPGHWXHDOIOEA-LSDHHAIUSA-N 1 1 420.538 4.456 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831047 847628201 /nfs/dbraw/zinc/62/82/01/847628201.db2.gz KCPGHWXHDOIOEA-LSDHHAIUSA-N 1 1 420.538 4.456 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831042 847628667 /nfs/dbraw/zinc/62/86/67/847628667.db2.gz KCPGHWXHDOIOEA-HUUCEWRRSA-N 1 1 420.538 4.456 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831042 847628672 /nfs/dbraw/zinc/62/86/72/847628672.db2.gz KCPGHWXHDOIOEA-HUUCEWRRSA-N 1 1 420.538 4.456 20 30 HIEDMO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985900 847663915 /nfs/dbraw/zinc/66/39/15/847663915.db2.gz BDBRPVYYQUTAFT-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985900 847663920 /nfs/dbraw/zinc/66/39/20/847663920.db2.gz BDBRPVYYQUTAFT-UHFFFAOYSA-N 1 1 411.933 4.104 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)o1 ZINC000030215411 847689156 /nfs/dbraw/zinc/68/91/56/847689156.db2.gz OCEBUSUNKQAZTN-UHFFFAOYSA-N 1 1 422.348 4.315 20 30 HIEDMO Cc1ccc(-c2noc([C@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000042684140 848344075 /nfs/dbraw/zinc/34/40/75/848344075.db2.gz YFVMYGHOGKEPGH-SFHVURJKSA-N 1 1 419.504 4.325 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741146 848350597 /nfs/dbraw/zinc/35/05/97/848350597.db2.gz JUPOHNCFGPJLQT-GOSISDBHSA-N 1 1 401.514 4.382 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741146 848350600 /nfs/dbraw/zinc/35/06/00/848350600.db2.gz JUPOHNCFGPJLQT-GOSISDBHSA-N 1 1 401.514 4.382 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000043133257 848387503 /nfs/dbraw/zinc/38/75/03/848387503.db2.gz WOZCMFPPJUIVJI-UHFFFAOYSA-N 1 1 413.319 4.061 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000043133257 848387508 /nfs/dbraw/zinc/38/75/08/848387508.db2.gz WOZCMFPPJUIVJI-UHFFFAOYSA-N 1 1 413.319 4.061 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000044017966 848501748 /nfs/dbraw/zinc/50/17/48/848501748.db2.gz VBUWRCDTDMULHA-UHFFFAOYSA-N 1 1 418.419 4.197 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000051560247 849485062 /nfs/dbraw/zinc/48/50/62/849485062.db2.gz SAQQVKVVLOCCRT-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000051560247 849485065 /nfs/dbraw/zinc/48/50/65/849485065.db2.gz SAQQVKVVLOCCRT-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000054454795 849871023 /nfs/dbraw/zinc/87/10/23/849871023.db2.gz FDZMDHFYFIPIRL-NRFANRHFSA-N 1 1 404.558 4.018 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000055889967 850196539 /nfs/dbraw/zinc/19/65/39/850196539.db2.gz JQFFSCRYHAWCLU-RTWAWAEBSA-N 1 1 402.325 4.481 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056213649 850285701 /nfs/dbraw/zinc/28/57/01/850285701.db2.gz CWZAIUSNTRBSDT-HDICACEKSA-N 1 1 407.514 4.207 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056213649 850285714 /nfs/dbraw/zinc/28/57/14/850285714.db2.gz CWZAIUSNTRBSDT-HDICACEKSA-N 1 1 407.514 4.207 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056739585 850459222 /nfs/dbraw/zinc/45/92/22/850459222.db2.gz BZCOINHMDGEYNY-UHFFFAOYSA-N 1 1 414.456 4.021 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1-c1ccccc1 ZINC000060356470 851075413 /nfs/dbraw/zinc/07/54/13/851075413.db2.gz RFYLIMBAZTYRFT-UHFFFAOYSA-N 1 1 421.504 4.481 20 30 HIEDMO C=CCOc1c(Br)cc(CNCC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000060832689 851225988 /nfs/dbraw/zinc/22/59/88/851225988.db2.gz NNAXZHAVJIDZHA-UHFFFAOYSA-N 1 1 411.384 4.377 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788713 851452648 /nfs/dbraw/zinc/45/26/48/851452648.db2.gz OCSHEUPSIWMGRO-UHFFFAOYSA-N 1 1 406.555 4.327 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063402078 851678952 /nfs/dbraw/zinc/67/89/52/851678952.db2.gz GQLNNQYWJOVJCE-KDURUIRLSA-N 1 1 402.539 4.051 20 30 HIEDMO CCN(c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000063876497 851783074 /nfs/dbraw/zinc/78/30/74/851783074.db2.gz SRHYPIHRZYNHSD-UHFFFAOYSA-N 1 1 404.558 4.141 20 30 HIEDMO CCN(c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000063876497 851783078 /nfs/dbraw/zinc/78/30/78/851783078.db2.gz SRHYPIHRZYNHSD-UHFFFAOYSA-N 1 1 404.558 4.141 20 30 HIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422645 852704292 /nfs/dbraw/zinc/70/42/92/852704292.db2.gz CNHGMLISGXPMAX-HXUWFJFHSA-N 1 1 413.905 4.395 20 30 HIEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000108707060 852874178 /nfs/dbraw/zinc/87/41/78/852874178.db2.gz XVKWVRBKRNHGLN-LPHOPBHVSA-N 1 1 417.962 4.058 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989256 853180709 /nfs/dbraw/zinc/18/07/09/853180709.db2.gz OPANPXWABKXKOV-MRXNPFEDSA-N 1 1 424.570 4.176 20 30 HIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cn2ccccc12 ZINC000110987926 853181375 /nfs/dbraw/zinc/18/13/75/853181375.db2.gz YFPFKKNJQPANBC-QGZVFWFLSA-N 1 1 401.445 4.380 20 30 HIEDMO C(#Cc1ccccc1)CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000142252180 853491189 /nfs/dbraw/zinc/49/11/89/853491189.db2.gz OJGCGJSBKSIBEQ-UHFFFAOYSA-N 1 1 410.561 4.462 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000236984794 853947539 /nfs/dbraw/zinc/94/75/39/853947539.db2.gz QHGSSDITOQFXCY-FQEVSTJZSA-N 1 1 423.580 4.168 20 30 HIEDMO C=C(C)C[NH+]1CCC(NCc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000237112972 853966669 /nfs/dbraw/zinc/96/66/69/853966669.db2.gz GHPQLJRGXBDABO-UHFFFAOYSA-N 1 1 410.558 4.413 20 30 HIEDMO N#Cc1cnc2ccc(Cl)cc2c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301366953 854372586 /nfs/dbraw/zinc/37/25/86/854372586.db2.gz SPCFLTRYZRRCIA-UHFFFAOYSA-N 1 1 419.916 4.275 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(c3ccccc3)CC1)CCCC2 ZINC000302969325 854701824 /nfs/dbraw/zinc/70/18/24/854701824.db2.gz NSSYRGZEGIVMTD-UHFFFAOYSA-N 1 1 408.571 4.039 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000303516527 855004192 /nfs/dbraw/zinc/00/41/92/855004192.db2.gz YADVBQFGZZOQDE-VQTJNVASSA-N 1 1 422.598 4.083 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](c2ccccc2)C1 ZINC000303583641 855056940 /nfs/dbraw/zinc/05/69/40/855056940.db2.gz FLXBBYGDGMXPCV-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](c2ccccc2)C1 ZINC000303583641 855056945 /nfs/dbraw/zinc/05/69/45/855056945.db2.gz FLXBBYGDGMXPCV-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000303593132 855066457 /nfs/dbraw/zinc/06/64/57/855066457.db2.gz IGNCPHUZUTUQHE-NTKDMRAZSA-N 1 1 421.541 4.217 20 30 HIEDMO C=CCc1ccc(OCC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000303775120 855191024 /nfs/dbraw/zinc/19/10/24/855191024.db2.gz RKBZRMGVIQZZAM-REWPJTCUSA-N 1 1 422.569 4.314 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303779078 855194187 /nfs/dbraw/zinc/19/41/87/855194187.db2.gz SDPOVJBERWJIEU-UTKZUKDTSA-N 1 1 410.949 4.135 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000303840877 855238038 /nfs/dbraw/zinc/23/80/38/855238038.db2.gz BOBUFZMUNVYDQN-UHFFFAOYSA-N 1 1 405.477 4.042 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000303840877 855238046 /nfs/dbraw/zinc/23/80/46/855238046.db2.gz BOBUFZMUNVYDQN-UHFFFAOYSA-N 1 1 405.477 4.042 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000303890999 855272427 /nfs/dbraw/zinc/27/24/27/855272427.db2.gz PMRZSAZAXMDDOQ-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000303890999 855272432 /nfs/dbraw/zinc/27/24/32/855272432.db2.gz PMRZSAZAXMDDOQ-XMMPIXPASA-N 1 1 413.477 4.190 20 30 HIEDMO CCc1cccc(CC)c1NC(=[NH2+])NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000304762371 855358946 /nfs/dbraw/zinc/35/89/46/855358946.db2.gz VPWWOHBHIGHQTG-IBGZPJMESA-N 1 1 408.590 4.438 20 30 HIEDMO CN1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305666562 855361189 /nfs/dbraw/zinc/36/11/89/855361189.db2.gz IGMXVADHRSSCON-UWJYYQICSA-N 1 1 400.929 4.387 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409465776 855493523 /nfs/dbraw/zinc/49/35/23/855493523.db2.gz WZBKORWLNXONRH-LJQANCHMSA-N 1 1 413.525 4.048 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000410315922 855923777 /nfs/dbraw/zinc/92/37/77/855923777.db2.gz XREOUNDDHGCKSY-UHFFFAOYSA-N 1 1 409.496 4.314 20 30 HIEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426432257 856287580 /nfs/dbraw/zinc/28/75/80/856287580.db2.gz GPAOMUIQRBVHMX-INIZCTEOSA-N 1 1 420.397 4.180 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000427022235 856599117 /nfs/dbraw/zinc/59/91/17/856599117.db2.gz WLFPWJVCVOMIPH-UHFFFAOYSA-N 1 1 400.444 4.294 20 30 HIEDMO C=CCC[C@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccccc1 ZINC000427115698 856647098 /nfs/dbraw/zinc/64/70/98/856647098.db2.gz CMONSTBWANYSKW-NRFANRHFSA-N 1 1 418.541 4.126 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546142 862877445 /nfs/dbraw/zinc/87/74/45/862877445.db2.gz FOMSQOMVTDUXQI-MAUKXSAKSA-N 1 1 407.461 4.451 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000437548034 862879252 /nfs/dbraw/zinc/87/92/52/862879252.db2.gz QHEIKSWNXHLXDN-QGZVFWFLSA-N 1 1 403.979 4.063 20 30 HIEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000437548034 862879256 /nfs/dbraw/zinc/87/92/56/862879256.db2.gz QHEIKSWNXHLXDN-QGZVFWFLSA-N 1 1 403.979 4.063 20 30 HIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000428384487 857184764 /nfs/dbraw/zinc/18/47/64/857184764.db2.gz OBRSIRCLSJULMH-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000428384487 857184768 /nfs/dbraw/zinc/18/47/68/857184768.db2.gz OBRSIRCLSJULMH-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1-c1ccccc1 ZINC000428731537 857312679 /nfs/dbraw/zinc/31/26/79/857312679.db2.gz YLJXHAQSAWVYPL-JOCHJYFZSA-N 1 1 419.573 4.238 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428770573 857328561 /nfs/dbraw/zinc/32/85/61/857328561.db2.gz GGZOUBZQBHCMQW-FQEVSTJZSA-N 1 1 406.511 4.129 20 30 HIEDMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428770573 857328565 /nfs/dbraw/zinc/32/85/65/857328565.db2.gz GGZOUBZQBHCMQW-FQEVSTJZSA-N 1 1 406.511 4.129 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786392 857339042 /nfs/dbraw/zinc/33/90/42/857339042.db2.gz ICXKHJGRUKWDGM-FYYLOGMGSA-N 1 1 423.476 4.246 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786392 857339047 /nfs/dbraw/zinc/33/90/47/857339047.db2.gz ICXKHJGRUKWDGM-FYYLOGMGSA-N 1 1 423.476 4.246 20 30 HIEDMO CCN(C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000437584810 862899572 /nfs/dbraw/zinc/89/95/72/862899572.db2.gz YIMLRFDXJBOVBS-INIZCTEOSA-N 1 1 408.386 4.143 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794957 857343441 /nfs/dbraw/zinc/34/34/41/857343441.db2.gz PCZZAQBTTNQTLX-FDDCHVKYSA-N 1 1 412.493 4.420 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811620 857356043 /nfs/dbraw/zinc/35/60/43/857356043.db2.gz JUIDGMCYTJTLNG-ISKFKSNPSA-N 1 1 412.493 4.095 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811620 857356048 /nfs/dbraw/zinc/35/60/48/857356048.db2.gz JUIDGMCYTJTLNG-ISKFKSNPSA-N 1 1 412.493 4.095 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923524 857418707 /nfs/dbraw/zinc/41/87/07/857418707.db2.gz DOBTXMDVJVEMGC-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923524 857418719 /nfs/dbraw/zinc/41/87/19/857418719.db2.gz DOBTXMDVJVEMGC-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 ZINC000430129854 858045350 /nfs/dbraw/zinc/04/53/50/858045350.db2.gz SHNCXEUVCASEFW-MRXNPFEDSA-N 1 1 417.200 4.302 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)nc1 ZINC000430154885 858055949 /nfs/dbraw/zinc/05/59/49/858055949.db2.gz JFFKUEYPHZCEPX-QGZVFWFLSA-N 1 1 424.844 4.428 20 30 HIEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183484 858070579 /nfs/dbraw/zinc/07/05/79/858070579.db2.gz CVEHVJBGKPTPTI-HSZRJFAPSA-N 1 1 414.509 4.197 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000430742169 858283672 /nfs/dbraw/zinc/28/36/72/858283672.db2.gz OCJLQANLMLOZPB-LPHOPBHVSA-N 1 1 420.582 4.335 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430779834 858302357 /nfs/dbraw/zinc/30/23/57/858302357.db2.gz GPWMSCZJHZYRHM-FHAGJXEFSA-N 1 1 406.526 4.296 20 30 HIEDMO C[C@H]1C[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826262 858319030 /nfs/dbraw/zinc/31/90/30/858319030.db2.gz VERGXHWIGUZEPF-PGRDOPGGSA-N 1 1 401.514 4.093 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000430826149 858319102 /nfs/dbraw/zinc/31/91/02/858319102.db2.gz GAGAMBYIDHBOMZ-GCJKJVERSA-N 1 1 401.514 4.093 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433307895 859630640 /nfs/dbraw/zinc/63/06/40/859630640.db2.gz WFLUEHLKDDHMFP-KRWDZBQOSA-N 1 1 412.331 4.214 20 30 HIEDMO C[C@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329265 859646431 /nfs/dbraw/zinc/64/64/31/859646431.db2.gz GDLPKMXIEANPIN-GBXCKJPGSA-N 1 1 414.557 4.001 20 30 HIEDMO C[C@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329265 859646446 /nfs/dbraw/zinc/64/64/46/859646446.db2.gz GDLPKMXIEANPIN-GBXCKJPGSA-N 1 1 414.557 4.001 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434498989 860374661 /nfs/dbraw/zinc/37/46/61/860374661.db2.gz WHHRFVFJRAZXSA-IBGZPJMESA-N 1 1 409.505 4.291 20 30 HIEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000434611667 860428549 /nfs/dbraw/zinc/42/85/49/860428549.db2.gz JLTWKJOPXBALHF-QFIPXVFZSA-N 1 1 405.477 4.151 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1C#N ZINC000434897205 860542053 /nfs/dbraw/zinc/54/20/53/860542053.db2.gz UYLXEHLBWYVGIG-KNQAVFIVSA-N 1 1 416.525 4.434 20 30 HIEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000435055012 860617999 /nfs/dbraw/zinc/61/79/99/860617999.db2.gz AOYCLHBHMSYPER-HXUWFJFHSA-N 1 1 408.502 4.225 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000435123073 860651000 /nfs/dbraw/zinc/65/10/00/860651000.db2.gz DZKHVZMAAQGJES-NRFANRHFSA-N 1 1 415.541 4.322 20 30 HIEDMO COc1ccc(OC)c(C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C2CC2)c1 ZINC000435124817 860652207 /nfs/dbraw/zinc/65/22/07/860652207.db2.gz ARYILSDABMAUBS-UHFFFAOYSA-N 1 1 417.513 4.041 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C2CC2)c1 ZINC000435124817 860652209 /nfs/dbraw/zinc/65/22/09/860652209.db2.gz ARYILSDABMAUBS-UHFFFAOYSA-N 1 1 417.513 4.041 20 30 HIEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000435132108 860656192 /nfs/dbraw/zinc/65/61/92/860656192.db2.gz HPJVGVBDSXZIBN-RTWAWAEBSA-N 1 1 422.504 4.367 20 30 HIEDMO C=CCOc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435379975 860776100 /nfs/dbraw/zinc/77/61/00/860776100.db2.gz OOZRXNROGKKXLH-NRFANRHFSA-N 1 1 402.498 4.147 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000467765773 881583846 /nfs/dbraw/zinc/58/38/46/881583846.db2.gz BDOFVFZHYIGLMS-HSZRJFAPSA-N 1 1 407.876 4.346 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435563703 860885984 /nfs/dbraw/zinc/88/59/84/860885984.db2.gz NAANONFZTGVWEW-QFIPXVFZSA-N 1 1 421.545 4.259 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000437851491 863210013 /nfs/dbraw/zinc/21/00/13/863210013.db2.gz SKIBJWVLSIKTAC-HXUWFJFHSA-N 1 1 422.529 4.017 20 30 HIEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000437883299 863247801 /nfs/dbraw/zinc/24/78/01/863247801.db2.gz MVUHGDUNSNPGQN-JOCHJYFZSA-N 1 1 419.529 4.149 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@H+]1C ZINC000437960110 863331660 /nfs/dbraw/zinc/33/16/60/863331660.db2.gz HWQOEKMRZLIQRY-KXBFYZLASA-N 1 1 412.921 4.395 20 30 HIEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437963889 863334538 /nfs/dbraw/zinc/33/45/38/863334538.db2.gz NROLSLMCLVMVQE-UHFFFAOYSA-N 1 1 400.910 4.252 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2C1 ZINC000438524290 863950548 /nfs/dbraw/zinc/95/05/48/863950548.db2.gz SBQZKZZYZBDYQU-AWEZNQCLSA-N 1 1 424.526 4.040 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2C1 ZINC000438524290 863950557 /nfs/dbraw/zinc/95/05/57/863950557.db2.gz SBQZKZZYZBDYQU-AWEZNQCLSA-N 1 1 424.526 4.040 20 30 HIEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)[nH+]c1 ZINC000438642556 864079109 /nfs/dbraw/zinc/07/91/09/864079109.db2.gz AIVODBSDHHYMNP-UHFFFAOYSA-N 1 1 403.408 4.071 20 30 HIEDMO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1C(F)(F)F ZINC000438643540 864080417 /nfs/dbraw/zinc/08/04/17/864080417.db2.gz UHUAMQBVVRLLPD-UHFFFAOYSA-N 1 1 408.449 4.031 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)sc2c1CCCC2 ZINC000439000341 864455493 /nfs/dbraw/zinc/45/54/93/864455493.db2.gz AAMFDGLPMLMXIU-SXLOBPIMSA-N 1 1 415.603 4.233 20 30 HIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000439452254 864836836 /nfs/dbraw/zinc/83/68/36/864836836.db2.gz ZYGZYNRPAPFUEV-NRFANRHFSA-N 1 1 411.933 4.454 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487793 864849535 /nfs/dbraw/zinc/84/95/35/864849535.db2.gz VYOVVFNIHLDJFY-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487793 864849544 /nfs/dbraw/zinc/84/95/44/864849544.db2.gz VYOVVFNIHLDJFY-ZHRRBRCNSA-N 1 1 409.509 4.165 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2COc2ccccc2Cl)C(N)=O)cc1 ZINC000439639186 864966453 /nfs/dbraw/zinc/96/64/53/864966453.db2.gz LEYQKHXNCRJGCI-JOCHJYFZSA-N 1 1 405.885 4.107 20 30 HIEDMO CCCc1c(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439693389 865029508 /nfs/dbraw/zinc/02/95/08/865029508.db2.gz LGIRZSCWESYAQO-HXUWFJFHSA-N 1 1 420.561 4.082 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000439954613 865247700 /nfs/dbraw/zinc/24/77/00/865247700.db2.gz VSROGIJAGMOOCG-UHFFFAOYSA-N 1 1 402.473 4.166 20 30 HIEDMO CCCc1c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000440081623 865346428 /nfs/dbraw/zinc/34/64/28/865346428.db2.gz TYYVGQRJLFVRPH-LJQANCHMSA-N 1 1 405.546 4.290 20 30 HIEDMO CC(C)c1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000440469675 865774317 /nfs/dbraw/zinc/77/43/17/865774317.db2.gz LKACMXNUJBOWKI-UHFFFAOYSA-N 1 1 411.575 4.263 20 30 HIEDMO CC(C)c1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000440487150 865791475 /nfs/dbraw/zinc/79/14/75/865791475.db2.gz OBULNNYUGNNKQP-HNNXBMFYSA-N 1 1 411.575 4.119 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000440982321 866063908 /nfs/dbraw/zinc/06/39/08/866063908.db2.gz APBFOCLCNQCUMS-OKZNBEIPSA-N 1 1 404.505 4.118 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000440982321 866063925 /nfs/dbraw/zinc/06/39/25/866063925.db2.gz APBFOCLCNQCUMS-OKZNBEIPSA-N 1 1 404.505 4.118 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000440982176 866064419 /nfs/dbraw/zinc/06/44/19/866064419.db2.gz ALJJHKVLKSEMAP-GXKRMFDSSA-N 1 1 406.933 4.101 20 30 HIEDMO N#CC1CCC(CNC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000440993611 866070420 /nfs/dbraw/zinc/07/04/20/866070420.db2.gz WRBXTMRXEMNGOX-AJTFCVKESA-N 1 1 422.598 4.477 20 30 HIEDMO N#CC1CCC(CNC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000440993611 866070435 /nfs/dbraw/zinc/07/04/35/866070435.db2.gz WRBXTMRXEMNGOX-AJTFCVKESA-N 1 1 422.598 4.477 20 30 HIEDMO N#CC1CCC(CNC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000440998501 866073092 /nfs/dbraw/zinc/07/30/92/866073092.db2.gz NAQQIRIRVDPVIU-UHFFFAOYSA-N 1 1 422.495 4.299 20 30 HIEDMO Cc1sc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441257613 866333266 /nfs/dbraw/zinc/33/32/66/866333266.db2.gz CCZBZMBVLDNJPS-ZIAGYGMSSA-N 1 1 419.978 4.143 20 30 HIEDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441281220 866357030 /nfs/dbraw/zinc/35/70/30/866357030.db2.gz TUVJHMQAENDOBT-HUUCEWRRSA-N 1 1 420.340 4.118 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441352358 866421977 /nfs/dbraw/zinc/42/19/77/866421977.db2.gz KJQXPIISFOLUJU-SIKLNZKXSA-N 1 1 420.557 4.233 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1C ZINC000441358304 866427633 /nfs/dbraw/zinc/42/76/33/866427633.db2.gz PJBTXUIUVMIMQR-QHCPKHFHSA-N 1 1 405.542 4.089 20 30 HIEDMO CC[C@@H]1CCc2nc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000441930830 866994309 /nfs/dbraw/zinc/99/43/09/866994309.db2.gz UBZPDJGKTMDPBG-QGZVFWFLSA-N 1 1 423.586 4.269 20 30 HIEDMO CC[C@@H]1CCc2nc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000441930830 866994320 /nfs/dbraw/zinc/99/43/20/866994320.db2.gz UBZPDJGKTMDPBG-QGZVFWFLSA-N 1 1 423.586 4.269 20 30 HIEDMO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000442197729 867219537 /nfs/dbraw/zinc/21/95/37/867219537.db2.gz XNFOVLNJOWNUGJ-KBPBESRZSA-N 1 1 410.440 4.231 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961571 867765761 /nfs/dbraw/zinc/76/57/61/867765761.db2.gz BJZFZRMPHSTPBI-YLJYHZDGSA-N 1 1 417.431 4.096 20 30 HIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443637843 868221122 /nfs/dbraw/zinc/22/11/22/868221122.db2.gz CEOXADZRGAHIMP-INIZCTEOSA-N 1 1 403.417 4.268 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000443656453 868255076 /nfs/dbraw/zinc/25/50/76/868255076.db2.gz LLXYZTWFHRNVMZ-UHFFFAOYSA-N 1 1 410.362 4.437 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657411 868261080 /nfs/dbraw/zinc/26/10/80/868261080.db2.gz NQINFUWKKOPGFM-ZWKOTPCHSA-N 1 1 420.488 4.482 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 ZINC000444192549 868658958 /nfs/dbraw/zinc/65/89/58/868658958.db2.gz GEYXMTVVXPMMCL-UZLBHIALSA-N 1 1 409.555 4.208 20 30 HIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 ZINC000444192549 868658960 /nfs/dbraw/zinc/65/89/60/868658960.db2.gz GEYXMTVVXPMMCL-UZLBHIALSA-N 1 1 409.555 4.208 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273489 868710120 /nfs/dbraw/zinc/71/01/20/868710120.db2.gz PWTUMHPRHZAZJT-CVDCTZTESA-N 1 1 400.526 4.195 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000444648606 868929670 /nfs/dbraw/zinc/92/96/70/868929670.db2.gz JSIQXYPVZNOZRB-WMZHIEFXSA-N 1 1 420.557 4.292 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897999 869877230 /nfs/dbraw/zinc/87/72/30/869877230.db2.gz FFPDISBUEZCCGA-GOSISDBHSA-N 1 1 414.303 4.105 20 30 HIEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447378896 871285530 /nfs/dbraw/zinc/28/55/30/871285530.db2.gz AWTMOEPWYOHIPR-SFHVURJKSA-N 1 1 411.571 4.199 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460195410 872769141 /nfs/dbraw/zinc/76/91/41/872769141.db2.gz IAQHLOJZOFFXJO-WMZHIEFXSA-N 1 1 414.557 4.326 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460373810 873011086 /nfs/dbraw/zinc/01/10/86/873011086.db2.gz UNUKOFZXXXTYNF-FCJDFRRUSA-N 1 1 423.605 4.408 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460384580 873027208 /nfs/dbraw/zinc/02/72/08/873027208.db2.gz XQLLQJDBGZJSLA-UHFFFAOYSA-N 1 1 416.529 4.007 20 30 HIEDMO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460784654 873642203 /nfs/dbraw/zinc/64/22/03/873642203.db2.gz HOVGCLYGZXRUDG-LJQANCHMSA-N 1 1 402.546 4.051 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460791165 873654245 /nfs/dbraw/zinc/65/42/45/873654245.db2.gz GFVKYGJOAGJMBN-KSEOMHKRSA-N 1 1 409.578 4.053 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460791948 873657023 /nfs/dbraw/zinc/65/70/23/873657023.db2.gz HXQOHGXHLIBOQU-GBESFXJTSA-N 1 1 415.557 4.442 20 30 HIEDMO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460937837 873838285 /nfs/dbraw/zinc/83/82/85/873838285.db2.gz RVSKZONSEIHNNG-HXUWFJFHSA-N 1 1 415.626 4.057 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468776898 882854946 /nfs/dbraw/zinc/85/49/46/882854946.db2.gz BIROGDHOMNFOPD-SFHVURJKSA-N 1 1 406.530 4.330 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468835818 882883257 /nfs/dbraw/zinc/88/32/57/882883257.db2.gz GAYHQIDWLXTJEB-FXAWDEMLSA-N 1 1 407.539 4.423 20 30 HIEDMO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(C#N)c1 ZINC000461924313 875063693 /nfs/dbraw/zinc/06/36/93/875063693.db2.gz VCAFNQIGLUYIDK-INIZCTEOSA-N 1 1 415.459 4.461 20 30 HIEDMO CSc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(F)c(F)c2)c1 ZINC000462192682 875298110 /nfs/dbraw/zinc/29/81/10/875298110.db2.gz UDPNYTGJZTUJKF-VXKWHMMOSA-N 1 1 417.525 4.420 20 30 HIEDMO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462246630 875363330 /nfs/dbraw/zinc/36/33/30/875363330.db2.gz LQYRHTGTMWUWCQ-CVDCTZTESA-N 1 1 413.525 4.252 20 30 HIEDMO C=CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 ZINC000462725858 875803555 /nfs/dbraw/zinc/80/35/55/875803555.db2.gz NWJOXIVIAVPWOP-UHFFFAOYSA-N 1 1 419.491 4.312 20 30 HIEDMO CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000463064058 876092798 /nfs/dbraw/zinc/09/27/98/876092798.db2.gz YKVRGHUKXHATLP-DEOSSOPVSA-N 1 1 420.534 4.013 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 ZINC000463446078 876505036 /nfs/dbraw/zinc/50/50/36/876505036.db2.gz VXDYDCRMOBPZRY-KURKYZTESA-N 1 1 401.469 4.216 20 30 HIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000469008704 883075791 /nfs/dbraw/zinc/07/57/91/883075791.db2.gz QXYPPWGOEVSVOC-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@](C)(CC)c2nc(C)cs2)cc1 ZINC000464804668 878047465 /nfs/dbraw/zinc/04/74/65/878047465.db2.gz HIXOPFOUBWIDNZ-NRFANRHFSA-N 1 1 400.548 4.012 20 30 HIEDMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822315 878077422 /nfs/dbraw/zinc/07/74/22/878077422.db2.gz LSBXVLMGZLVAPO-ZITCBSAOSA-N 1 1 406.526 4.240 20 30 HIEDMO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822315 878077440 /nfs/dbraw/zinc/07/74/40/878077440.db2.gz LSBXVLMGZLVAPO-ZITCBSAOSA-N 1 1 406.526 4.240 20 30 HIEDMO C=CCc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909461 878225548 /nfs/dbraw/zinc/22/55/48/878225548.db2.gz XZILKQRUWGZQBI-LJQANCHMSA-N 1 1 408.542 4.169 20 30 HIEDMO C=CCc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000465189371 878584121 /nfs/dbraw/zinc/58/41/21/878584121.db2.gz WRMZUWYRKQTPSW-SFHVURJKSA-N 1 1 424.541 4.405 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000465466223 878899176 /nfs/dbraw/zinc/89/91/76/878899176.db2.gz LSLWAAXLBUIJRK-KRWDZBQOSA-N 1 1 419.554 4.342 20 30 HIEDMO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000466606374 880376140 /nfs/dbraw/zinc/37/61/40/880376140.db2.gz HMLHVFPQEWVKCV-TZIWHRDSSA-N 1 1 421.545 4.453 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466608186 880377367 /nfs/dbraw/zinc/37/73/67/880377367.db2.gz OAPKLPMYVDCXRH-LJQANCHMSA-N 1 1 413.566 4.273 20 30 HIEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000466702994 880494752 /nfs/dbraw/zinc/49/47/52/880494752.db2.gz FZPBNTNDIHPDRQ-INIZCTEOSA-N 1 1 421.364 4.207 20 30 HIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000466702994 880494758 /nfs/dbraw/zinc/49/47/58/880494758.db2.gz FZPBNTNDIHPDRQ-INIZCTEOSA-N 1 1 421.364 4.207 20 30 HIEDMO CC(C)[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000467182103 880909052 /nfs/dbraw/zinc/90/90/52/880909052.db2.gz RNKUIJLUAOCMNT-UHFFFAOYSA-N 1 1 422.273 4.448 20 30 HIEDMO CC(C)[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000467182103 880909056 /nfs/dbraw/zinc/90/90/56/880909056.db2.gz RNKUIJLUAOCMNT-UHFFFAOYSA-N 1 1 422.273 4.448 20 30 HIEDMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467199161 880927811 /nfs/dbraw/zinc/92/78/11/880927811.db2.gz XQNRHIJCLMDULO-QGZVFWFLSA-N 1 1 415.497 4.328 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000503582303 912668247 /nfs/dbraw/zinc/66/82/47/912668247.db2.gz YJDUGUAXNDKZNH-INIZCTEOSA-N 1 1 418.522 4.331 20 30 HIEDMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000503582303 912668280 /nfs/dbraw/zinc/66/82/80/912668280.db2.gz YJDUGUAXNDKZNH-INIZCTEOSA-N 1 1 418.522 4.331 20 30 HIEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)CC(C)(C)C#N)CC2 ZINC000469090319 883177233 /nfs/dbraw/zinc/17/72/33/883177233.db2.gz XJXJYPVBZQGVLN-UHFFFAOYSA-N 1 1 407.514 4.140 20 30 HIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)CC(C)(C)C#N)CC2 ZINC000469090319 883177240 /nfs/dbraw/zinc/17/72/40/883177240.db2.gz XJXJYPVBZQGVLN-UHFFFAOYSA-N 1 1 407.514 4.140 20 30 HIEDMO C[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000469586829 883825215 /nfs/dbraw/zinc/82/52/15/883825215.db2.gz KVVBERZLQWJCAN-CTNGQTDRSA-N 1 1 400.526 4.338 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000469725895 883887983 /nfs/dbraw/zinc/88/79/83/883887983.db2.gz RAIHYWNJMCWZDI-FYYLOGMGSA-N 1 1 422.479 4.398 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000469725895 883887985 /nfs/dbraw/zinc/88/79/85/883887985.db2.gz RAIHYWNJMCWZDI-FYYLOGMGSA-N 1 1 422.479 4.398 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735740 883893142 /nfs/dbraw/zinc/89/31/42/883893142.db2.gz UXNMHNVGZZUMQK-CYBMUJFWSA-N 1 1 409.408 4.125 20 30 HIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735740 883893144 /nfs/dbraw/zinc/89/31/44/883893144.db2.gz UXNMHNVGZZUMQK-CYBMUJFWSA-N 1 1 409.408 4.125 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000469757127 883922546 /nfs/dbraw/zinc/92/25/46/883922546.db2.gz PJRZCCDRNSDOQI-NSHDSACASA-N 1 1 422.710 4.272 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991723 884205936 /nfs/dbraw/zinc/20/59/36/884205936.db2.gz NOPUXGCVDAWPJO-AWEZNQCLSA-N 1 1 410.326 4.408 20 30 HIEDMO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470202567 884514932 /nfs/dbraw/zinc/51/49/32/884514932.db2.gz ZUIWJJZOTRQKQT-NRFANRHFSA-N 1 1 424.976 4.041 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c1C#N ZINC000471042922 885554751 /nfs/dbraw/zinc/55/47/51/885554751.db2.gz XVOPXNTURWFZRJ-UHFFFAOYSA-N 1 1 423.542 4.072 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181249 885746069 /nfs/dbraw/zinc/74/60/69/885746069.db2.gz KRUNMVYXFHIMFQ-OAQYLSRUSA-N 1 1 402.498 4.249 20 30 HIEDMO C[C@@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000471458674 886135964 /nfs/dbraw/zinc/13/59/64/886135964.db2.gz DZAPVGZTCGEHRW-IBGZPJMESA-N 1 1 417.509 4.371 20 30 HIEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Br)s1 ZINC000471477627 886171077 /nfs/dbraw/zinc/17/10/77/886171077.db2.gz WZJWNOFEPNAPSS-UHFFFAOYSA-N 1 1 418.360 4.039 20 30 HIEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Br)s1 ZINC000471477627 886171084 /nfs/dbraw/zinc/17/10/84/886171084.db2.gz WZJWNOFEPNAPSS-UHFFFAOYSA-N 1 1 418.360 4.039 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258536 913121922 /nfs/dbraw/zinc/12/19/22/913121922.db2.gz QUIGEGGVADMOFB-PKOBYXMFSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258536 913121931 /nfs/dbraw/zinc/12/19/31/913121931.db2.gz QUIGEGGVADMOFB-PKOBYXMFSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258463 913122181 /nfs/dbraw/zinc/12/21/81/913122181.db2.gz QUIGEGGVADMOFB-HKUYNNGSSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258463 913122189 /nfs/dbraw/zinc/12/21/89/913122189.db2.gz QUIGEGGVADMOFB-HKUYNNGSSA-N 1 1 400.885 4.090 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cccc(C)c2)c1C#N ZINC000472445523 887296784 /nfs/dbraw/zinc/29/67/84/887296784.db2.gz WXQBLAXJFZSGLN-UHFFFAOYSA-N 1 1 404.514 4.387 20 30 HIEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000472746708 887592467 /nfs/dbraw/zinc/59/24/67/887592467.db2.gz GBMMDKUJHGJRBV-MVERNJQCSA-N 1 1 417.597 4.460 20 30 HIEDMO C=C[C@](C)(CCOC)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000473623171 888363341 /nfs/dbraw/zinc/36/33/41/888363341.db2.gz IDLBHKNKIOPGTF-OAQYLSRUSA-N 1 1 412.496 4.357 20 30 HIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000504492224 913283842 /nfs/dbraw/zinc/28/38/42/913283842.db2.gz CUGJIKWWWTYAIB-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO COc1ccc(OC)c(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C)c1 ZINC000474170708 889009702 /nfs/dbraw/zinc/00/97/02/889009702.db2.gz PXCRDBSNDDILCZ-UHFFFAOYSA-N 1 1 409.530 4.251 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C)c1 ZINC000474170708 889009717 /nfs/dbraw/zinc/00/97/17/889009717.db2.gz PXCRDBSNDDILCZ-UHFFFAOYSA-N 1 1 409.530 4.251 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474241145 889089423 /nfs/dbraw/zinc/08/94/23/889089423.db2.gz UFIOJJUBCODRKW-TZIWHRDSSA-N 1 1 422.598 4.083 20 30 HIEDMO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000474999239 889850412 /nfs/dbraw/zinc/85/04/12/889850412.db2.gz GCOBLWABDRFURG-HXUWFJFHSA-N 1 1 422.529 4.076 20 30 HIEDMO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000474999239 889850415 /nfs/dbraw/zinc/85/04/15/889850415.db2.gz GCOBLWABDRFURG-HXUWFJFHSA-N 1 1 422.529 4.076 20 30 HIEDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000475358259 890284306 /nfs/dbraw/zinc/28/43/06/890284306.db2.gz LGMXYXSUJGSSDU-QFIPXVFZSA-N 1 1 421.932 4.121 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000475406701 890334736 /nfs/dbraw/zinc/33/47/36/890334736.db2.gz JEJGPQSBFDKXJG-AFARHQOCSA-N 1 1 422.960 4.375 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000475561294 890490302 /nfs/dbraw/zinc/49/03/02/890490302.db2.gz LREOSXXRWLDVHN-JOCHJYFZSA-N 1 1 407.558 4.427 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000504722994 913457919 /nfs/dbraw/zinc/45/79/19/913457919.db2.gz YBEYDRCEBKWKKB-UHFFFAOYSA-N 1 1 405.542 4.472 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c(F)c1 ZINC000475645343 890588599 /nfs/dbraw/zinc/58/85/99/890588599.db2.gz ZTXYNRJLIAWYMX-INIZCTEOSA-N 1 1 417.200 4.302 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476611865 891546533 /nfs/dbraw/zinc/54/65/33/891546533.db2.gz PARJMDLLFHTZLQ-OALUTQOASA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476611865 891546540 /nfs/dbraw/zinc/54/65/40/891546540.db2.gz PARJMDLLFHTZLQ-OALUTQOASA-N 1 1 400.885 4.090 20 30 HIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994577 891922407 /nfs/dbraw/zinc/92/24/07/891922407.db2.gz KNLAIZMWAALBHY-SJORKVTESA-N 1 1 421.932 4.460 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477049083 891978351 /nfs/dbraw/zinc/97/83/51/891978351.db2.gz JBSVUISTYKEWLC-AOMKIAJQSA-N 1 1 401.576 4.108 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477049083 891978376 /nfs/dbraw/zinc/97/83/76/891978376.db2.gz JBSVUISTYKEWLC-AOMKIAJQSA-N 1 1 401.576 4.108 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478052028 893201244 /nfs/dbraw/zinc/20/12/44/893201244.db2.gz FCMVGDMSGFWOGY-MRXNPFEDSA-N 1 1 402.608 4.152 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000478808725 894081701 /nfs/dbraw/zinc/08/17/01/894081701.db2.gz YWVMGFDRZCSLCK-IBGZPJMESA-N 1 1 402.542 4.421 20 30 HIEDMO CCc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000479485798 894807942 /nfs/dbraw/zinc/80/79/42/894807942.db2.gz DHSAOSCZDZCLIG-RUZDIDTESA-N 1 1 403.547 4.383 20 30 HIEDMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000480574101 895934053 /nfs/dbraw/zinc/93/40/53/895934053.db2.gz CQJZEMCJELQOPQ-OAHLLOKOSA-N 1 1 405.951 4.093 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000480702352 896063023 /nfs/dbraw/zinc/06/30/23/896063023.db2.gz VSTMJDMHHPNWJL-VFNWGFHPSA-N 1 1 406.498 4.473 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c(Br)c1 ZINC000481110805 896433991 /nfs/dbraw/zinc/43/39/91/896433991.db2.gz QEEQXQYRQUSENQ-UHFFFAOYSA-N 1 1 424.342 4.122 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180730 896521743 /nfs/dbraw/zinc/52/17/43/896521743.db2.gz XRLFYCCBHMUMOI-CVDCTZTESA-N 1 1 424.976 4.087 20 30 HIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000481229600 896580220 /nfs/dbraw/zinc/58/02/20/896580220.db2.gz OKZLWCFOINSZLV-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000481229600 896580237 /nfs/dbraw/zinc/58/02/37/896580237.db2.gz OKZLWCFOINSZLV-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000481229600 896580250 /nfs/dbraw/zinc/58/02/50/896580250.db2.gz OKZLWCFOINSZLV-FQEVSTJZSA-N 1 1 416.447 4.295 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000481595413 896975041 /nfs/dbraw/zinc/97/50/41/896975041.db2.gz HIAMNMWNSWXAOU-NYHFZMIOSA-N 1 1 413.468 4.326 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccc(F)c(F)c1 ZINC000481598076 896978568 /nfs/dbraw/zinc/97/85/68/896978568.db2.gz YJTLJUCEGHMAJN-CMJOXMDJSA-N 1 1 418.484 4.375 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481603434 896983009 /nfs/dbraw/zinc/98/30/09/896983009.db2.gz BYTAMFRDVUBCLL-DFFLPILJSA-N 1 1 418.484 4.455 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000481617292 896999609 /nfs/dbraw/zinc/99/96/09/896999609.db2.gz QMKDGZDFNCPKNO-OAQYLSRUSA-N 1 1 401.482 4.140 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686719 897071071 /nfs/dbraw/zinc/07/10/71/897071071.db2.gz BQUJFJOIHBYRKX-XMMPIXPASA-N 1 1 421.566 4.349 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 ZINC000481928390 897312130 /nfs/dbraw/zinc/31/21/30/897312130.db2.gz RMGNWRWYRQTOAF-UHFFFAOYSA-N 1 1 416.456 4.156 20 30 HIEDMO COc1ccc(CNc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)cc1C#N ZINC000482573297 898168722 /nfs/dbraw/zinc/16/87/22/898168722.db2.gz NCLLCXWCQHZQAA-INIZCTEOSA-N 1 1 410.493 4.131 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482930749 898551730 /nfs/dbraw/zinc/55/17/30/898551730.db2.gz UYAIUXJXLIGFRH-GGAORHGYSA-N 1 1 418.541 4.475 20 30 HIEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(Br)cn1 ZINC000482962239 898592898 /nfs/dbraw/zinc/59/28/98/898592898.db2.gz ORZLGVRVRVMGCH-ZDUSSCGKSA-N 1 1 421.726 4.095 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)c1C ZINC000482970626 898603993 /nfs/dbraw/zinc/60/39/93/898603993.db2.gz KXXOYGHCCHTIGY-INIZCTEOSA-N 1 1 415.335 4.058 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1F ZINC000483251581 898893329 /nfs/dbraw/zinc/89/33/29/898893329.db2.gz SBSSKNQSIDFJIH-INIZCTEOSA-N 1 1 417.200 4.302 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000505620609 914323167 /nfs/dbraw/zinc/32/31/67/914323167.db2.gz KRIMBCYFGSZDQS-NQIIRXRSSA-N 1 1 411.571 4.005 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483620116 899271140 /nfs/dbraw/zinc/27/11/40/899271140.db2.gz ILAWTTZMWOQQAH-MRXNPFEDSA-N 1 1 400.523 4.331 20 30 HIEDMO COc1ccccc1[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[NH+](C)C ZINC000484931802 900304219 /nfs/dbraw/zinc/30/42/19/900304219.db2.gz FIEFOXTVLKFGKZ-QHCPKHFHSA-N 1 1 415.493 4.392 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000484991734 900345005 /nfs/dbraw/zinc/34/50/05/900345005.db2.gz BVIQUKBYCPWEEA-JTSKRJEESA-N 1 1 419.529 4.147 20 30 HIEDMO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000485491791 900781937 /nfs/dbraw/zinc/78/19/37/900781937.db2.gz OHIRUFAAODTWFW-FQEVSTJZSA-N 1 1 423.582 4.383 20 30 HIEDMO CC(C)(C)C1CCC(C#N)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000485757316 901014113 /nfs/dbraw/zinc/01/41/13/901014113.db2.gz UNWAZDJWDKZQPO-UHFFFAOYSA-N 1 1 401.461 4.433 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907396 914549243 /nfs/dbraw/zinc/54/92/43/914549243.db2.gz SFFPJIPJRQOELB-PZJWPPBQSA-N 1 1 421.541 4.457 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486456523 901614936 /nfs/dbraw/zinc/61/49/36/901614936.db2.gz DNBIHTLIVHCTRK-HYBUGGRVSA-N 1 1 402.498 4.250 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(=O)C4CCC4)cc3)CC2)cc1 ZINC000486987070 902003877 /nfs/dbraw/zinc/00/38/77/902003877.db2.gz NEPAGJIWHBBPRO-UHFFFAOYSA-N 1 1 416.525 4.281 20 30 HIEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2F)CC1 ZINC000487385264 902174618 /nfs/dbraw/zinc/17/46/18/902174618.db2.gz CKEJUKVHHZBXJS-QFIPXVFZSA-N 1 1 408.521 4.133 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000487400645 902183007 /nfs/dbraw/zinc/18/30/07/902183007.db2.gz DVPRRVCRSXCDNH-APWZRJJASA-N 1 1 420.582 4.193 20 30 HIEDMO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488284653 902746328 /nfs/dbraw/zinc/74/63/28/902746328.db2.gz WYENPGHUXTXWMK-CYBMUJFWSA-N 1 1 404.308 4.380 20 30 HIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488284653 902746338 /nfs/dbraw/zinc/74/63/38/902746338.db2.gz WYENPGHUXTXWMK-CYBMUJFWSA-N 1 1 404.308 4.380 20 30 HIEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317231 902763898 /nfs/dbraw/zinc/76/38/98/902763898.db2.gz SKQYFSZHMFCKAM-GOSISDBHSA-N 1 1 420.513 4.068 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)o1 ZINC000488392898 902802589 /nfs/dbraw/zinc/80/25/89/902802589.db2.gz YHVSUAMSYKUUMX-UHFFFAOYSA-N 1 1 413.275 4.343 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000505999695 914669517 /nfs/dbraw/zinc/66/95/17/914669517.db2.gz LYOKADAJQHFTQD-UHFFFAOYSA-N 1 1 411.908 4.117 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000505999695 914669540 /nfs/dbraw/zinc/66/95/40/914669540.db2.gz LYOKADAJQHFTQD-UHFFFAOYSA-N 1 1 411.908 4.117 20 30 HIEDMO CC1(C#N)CC[NH+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000506027777 914710391 /nfs/dbraw/zinc/71/03/91/914710391.db2.gz ONLZQQKWNTWDIB-OAQYLSRUSA-N 1 1 400.526 4.042 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489529018 903439811 /nfs/dbraw/zinc/43/98/11/903439811.db2.gz IPKJKEJIGXBVPL-GBXCKJPGSA-N 1 1 404.558 4.390 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000490326693 903911209 /nfs/dbraw/zinc/91/12/09/903911209.db2.gz JLLXXXBQOYDBHF-AZUAARDMSA-N 1 1 405.395 4.068 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000490326693 903911216 /nfs/dbraw/zinc/91/12/16/903911216.db2.gz JLLXXXBQOYDBHF-AZUAARDMSA-N 1 1 405.395 4.068 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490368677 903961370 /nfs/dbraw/zinc/96/13/70/903961370.db2.gz MSJIEJIGAOBFGU-WIYYLYMNSA-N 1 1 406.530 4.378 20 30 HIEDMO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491247199 904500852 /nfs/dbraw/zinc/50/08/52/904500852.db2.gz BKRWYMVEJQYZCH-OAQYLSRUSA-N 1 1 424.451 4.134 20 30 HIEDMO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491247199 904500865 /nfs/dbraw/zinc/50/08/65/904500865.db2.gz BKRWYMVEJQYZCH-OAQYLSRUSA-N 1 1 424.451 4.134 20 30 HIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812748 904909550 /nfs/dbraw/zinc/90/95/50/904909550.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812748 904909580 /nfs/dbraw/zinc/90/95/80/904909580.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812748 904909598 /nfs/dbraw/zinc/90/95/98/904909598.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 1 1 413.525 4.118 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000506245659 914861837 /nfs/dbraw/zinc/86/18/37/914861837.db2.gz KEDVOJVOXNEQLP-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000506245659 914861838 /nfs/dbraw/zinc/86/18/38/914861838.db2.gz KEDVOJVOXNEQLP-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000506245659 914861840 /nfs/dbraw/zinc/86/18/40/914861840.db2.gz KEDVOJVOXNEQLP-UHFFFAOYSA-N 1 1 403.448 4.207 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000506248868 914862362 /nfs/dbraw/zinc/86/23/62/914862362.db2.gz YSVQCMVGFQEJLC-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000506248868 914862363 /nfs/dbraw/zinc/86/23/63/914862363.db2.gz YSVQCMVGFQEJLC-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000506248868 914862364 /nfs/dbraw/zinc/86/23/64/914862364.db2.gz YSVQCMVGFQEJLC-UHFFFAOYSA-N 1 1 405.933 4.310 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1)C(C)C ZINC000493966341 905315065 /nfs/dbraw/zinc/31/50/65/905315065.db2.gz HXGPDYZZESKKBQ-UHFFFAOYSA-N 1 1 401.514 4.109 20 30 HIEDMO C[C@@H]1[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000494016066 905354158 /nfs/dbraw/zinc/35/41/58/905354158.db2.gz HNEQHLRTCLVWSY-JPYJTQIMSA-N 1 1 415.493 4.123 20 30 HIEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449216 921168868 /nfs/dbraw/zinc/16/88/68/921168868.db2.gz DDFCLHVGORGNRK-NRFANRHFSA-N 1 1 405.542 4.121 20 30 HIEDMO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495373215 906411155 /nfs/dbraw/zinc/41/11/55/906411155.db2.gz DIOYCCWFJPGIAD-SQJMNOBHSA-N 1 1 402.586 4.023 20 30 HIEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000512656338 921277270 /nfs/dbraw/zinc/27/72/70/921277270.db2.gz ZDYMHMKAKAYCQX-BFUOFWGJSA-N 1 1 403.404 4.145 20 30 HIEDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)Cc2ccccc21 ZINC000512686193 921287032 /nfs/dbraw/zinc/28/70/32/921287032.db2.gz GGUDAPZBTLYRRY-OAQYLSRUSA-N 1 1 408.498 4.040 20 30 HIEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)Cc2ccccc21 ZINC000512686193 921287036 /nfs/dbraw/zinc/28/70/36/921287036.db2.gz GGUDAPZBTLYRRY-OAQYLSRUSA-N 1 1 408.498 4.040 20 30 HIEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512710877 921294167 /nfs/dbraw/zinc/29/41/67/921294167.db2.gz BAUBCICPQNGDDQ-PZJWPPBQSA-N 1 1 424.589 4.275 20 30 HIEDMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C2CC2)cc1 ZINC000512806210 921315204 /nfs/dbraw/zinc/31/52/04/921315204.db2.gz SAOVGUSFCVGKPF-VWLOTQADSA-N 1 1 421.516 4.117 20 30 HIEDMO CCC[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512818342 921322829 /nfs/dbraw/zinc/32/28/29/921322829.db2.gz SFHMDWDUXOLLJC-QFIPXVFZSA-N 1 1 409.505 4.198 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824734 921327825 /nfs/dbraw/zinc/32/78/25/921327825.db2.gz WVHSTTRYMVBLFB-LJQANCHMSA-N 1 1 402.441 4.207 20 30 HIEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498013142 907506057 /nfs/dbraw/zinc/50/60/57/907506057.db2.gz DSRQBDOPCBPKRH-DYESRHJHSA-N 1 1 417.575 4.004 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498677422 908107535 /nfs/dbraw/zinc/10/75/35/908107535.db2.gz VHMUDAGCIGRGOV-VXKWHMMOSA-N 1 1 424.495 4.349 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498677422 908107548 /nfs/dbraw/zinc/10/75/48/908107548.db2.gz VHMUDAGCIGRGOV-VXKWHMMOSA-N 1 1 424.495 4.349 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499109041 908469405 /nfs/dbraw/zinc/46/94/05/908469405.db2.gz DBHAZTHBRWZCPE-URXFXBBRSA-N 1 1 423.605 4.462 20 30 HIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]12 ZINC000499524035 908828566 /nfs/dbraw/zinc/82/85/66/908828566.db2.gz RRUXIEWWHNBOKS-VNXMGFANSA-N 1 1 403.611 4.271 20 30 HIEDMO N#CC1(CCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCOCC1 ZINC000499732620 908893560 /nfs/dbraw/zinc/89/35/60/908893560.db2.gz LYGMFTMDFTWJMZ-HYBUGGRVSA-N 1 1 406.530 4.191 20 30 HIEDMO COc1ccc(OC)c(C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)c1 ZINC000513032011 921491642 /nfs/dbraw/zinc/49/16/42/921491642.db2.gz YVHWGPLFJQMWPE-UHFFFAOYSA-N 1 1 413.905 4.222 20 30 HIEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000500428792 909851502 /nfs/dbraw/zinc/85/15/02/909851502.db2.gz QRILXXAEBVJNKY-IBGZPJMESA-N 1 1 411.575 4.178 20 30 HIEDMO C[NH+](C)Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)ccc1Cl ZINC000500776498 910072852 /nfs/dbraw/zinc/07/28/52/910072852.db2.gz DCDVAJDEMNXTEF-UHFFFAOYSA-N 1 1 412.921 4.067 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)ccc1OC ZINC000513106335 921554637 /nfs/dbraw/zinc/55/46/37/921554637.db2.gz KOVNZEORAQKZFM-UHFFFAOYSA-N 1 1 408.542 4.387 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501377157 910504927 /nfs/dbraw/zinc/50/49/27/910504927.db2.gz QMJUQNRKAFOUEJ-URXFXBBRSA-N 1 1 423.605 4.462 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000502161763 911082518 /nfs/dbraw/zinc/08/25/18/911082518.db2.gz ARMRSHLGNLHGJD-PKTZIBPZSA-N 1 1 420.944 4.456 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000502161763 911082530 /nfs/dbraw/zinc/08/25/30/911082530.db2.gz ARMRSHLGNLHGJD-PKTZIBPZSA-N 1 1 420.944 4.456 20 30 HIEDMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178190 911103565 /nfs/dbraw/zinc/10/35/65/911103565.db2.gz YQUITAPZVHERJM-CQSZACIVSA-N 1 1 407.499 4.081 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000502179175 911104525 /nfs/dbraw/zinc/10/45/25/911104525.db2.gz TZUPROCORGIOIS-UHFFFAOYSA-N 1 1 421.888 4.112 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513258158 921662682 /nfs/dbraw/zinc/66/26/82/921662682.db2.gz VFFREVBQGRCKTG-VGSWGCGISA-N 1 1 408.546 4.035 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1 ZINC000502521937 911527425 /nfs/dbraw/zinc/52/74/25/911527425.db2.gz JDVDSSBOXPLOHJ-UHFFFAOYSA-N 1 1 400.507 4.070 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1 ZINC000502521937 911527429 /nfs/dbraw/zinc/52/74/29/911527429.db2.gz JDVDSSBOXPLOHJ-UHFFFAOYSA-N 1 1 400.507 4.070 20 30 HIEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502539266 911544109 /nfs/dbraw/zinc/54/41/09/911544109.db2.gz GDXMACFJQYYLCZ-RUZDIDTESA-N 1 1 415.537 4.410 20 30 HIEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502539266 911544128 /nfs/dbraw/zinc/54/41/28/911544128.db2.gz GDXMACFJQYYLCZ-RUZDIDTESA-N 1 1 415.537 4.410 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555184 911561833 /nfs/dbraw/zinc/56/18/33/911561833.db2.gz VTYHKJRWTLCNFI-SFHVURJKSA-N 1 1 402.473 4.122 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555184 911561850 /nfs/dbraw/zinc/56/18/50/911561850.db2.gz VTYHKJRWTLCNFI-SFHVURJKSA-N 1 1 402.473 4.122 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000506296355 914891747 /nfs/dbraw/zinc/89/17/47/914891747.db2.gz YHINRRCDIHOYMK-OAQYLSRUSA-N 1 1 413.525 4.314 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000513365548 921740457 /nfs/dbraw/zinc/74/04/57/921740457.db2.gz GTMXRHCJEAUIDR-CALCHBBNSA-N 1 1 409.505 4.223 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000513365548 921740468 /nfs/dbraw/zinc/74/04/68/921740468.db2.gz GTMXRHCJEAUIDR-CALCHBBNSA-N 1 1 409.505 4.223 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506477282 915081184 /nfs/dbraw/zinc/08/11/84/915081184.db2.gz NFUFNOGYEISJPJ-SFHVURJKSA-N 1 1 405.517 4.420 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506478307 915083407 /nfs/dbraw/zinc/08/34/07/915083407.db2.gz FZOYPOPWRYSFLO-KZNAEPCWSA-N 1 1 414.619 4.022 20 30 HIEDMO Cn1c2ccc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2oc1=O ZINC000507628413 916388646 /nfs/dbraw/zinc/38/86/46/916388646.db2.gz FIOLJVYJAJHFSP-UHFFFAOYSA-N 1 1 401.441 4.345 20 30 HIEDMO Cn1c2ccc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2oc1=O ZINC000507628413 916388667 /nfs/dbraw/zinc/38/86/67/916388667.db2.gz FIOLJVYJAJHFSP-UHFFFAOYSA-N 1 1 401.441 4.345 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c(C#N)c1C ZINC000507893390 916750486 /nfs/dbraw/zinc/75/04/86/916750486.db2.gz JAXAJWCWJKSODJ-UHFFFAOYSA-N 1 1 400.482 4.433 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c(C#N)c1C ZINC000507893390 916750501 /nfs/dbraw/zinc/75/05/01/916750501.db2.gz JAXAJWCWJKSODJ-UHFFFAOYSA-N 1 1 400.482 4.433 20 30 HIEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508478579 917263522 /nfs/dbraw/zinc/26/35/22/917263522.db2.gz RZPFXOQQOUQOPD-RTBURBONSA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508480825 917264861 /nfs/dbraw/zinc/26/48/61/917264861.db2.gz KPZUMETVVJMKLG-CTNGQTDRSA-N 1 1 411.569 4.285 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508498238 917282277 /nfs/dbraw/zinc/28/22/77/917282277.db2.gz QRSBOXBPVMOXLM-FCJDFRRUSA-N 1 1 421.589 4.053 20 30 HIEDMO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508510717 917296861 /nfs/dbraw/zinc/29/68/61/917296861.db2.gz RTENKRABNTZGQO-FYYLOGMGSA-N 1 1 405.590 4.093 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508563401 917338691 /nfs/dbraw/zinc/33/86/91/917338691.db2.gz KHLYARUEQPLEOZ-QFIPXVFZSA-N 1 1 409.480 4.230 20 30 HIEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508734491 917495209 /nfs/dbraw/zinc/49/52/09/917495209.db2.gz RALBFQQJTOYETR-UHFFFAOYSA-N 1 1 420.605 4.485 20 30 HIEDMO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508847744 917601167 /nfs/dbraw/zinc/60/11/67/917601167.db2.gz LJOMTGQUYRBXBV-RBBKRZOGSA-N 1 1 421.589 4.059 20 30 HIEDMO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508864855 917618019 /nfs/dbraw/zinc/61/80/19/917618019.db2.gz QXGQBAWVEHUKRP-AWEZNQCLSA-N 1 1 424.412 4.123 20 30 HIEDMO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508931006 917689739 /nfs/dbraw/zinc/68/97/39/917689739.db2.gz GINGHLNOXMPXFE-UYAOXDASSA-N 1 1 403.530 4.330 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508944765 917701993 /nfs/dbraw/zinc/70/19/93/917701993.db2.gz GVOJGZALRDJIGO-UHFFFAOYSA-N 1 1 419.573 4.191 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508956324 917713557 /nfs/dbraw/zinc/71/35/57/917713557.db2.gz OWLKFRDILIFBNF-FYYLOGMGSA-N 1 1 423.605 4.272 20 30 HIEDMO C=CCn1c(CCc2ccco2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000509002078 917756576 /nfs/dbraw/zinc/75/65/76/917756576.db2.gz PUXUPXZDHFUZCU-HXUWFJFHSA-N 1 1 411.594 4.323 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000509084954 917828231 /nfs/dbraw/zinc/82/82/31/917828231.db2.gz QAAVDZUIVVGAGX-SFHVURJKSA-N 1 1 405.502 4.035 20 30 HIEDMO CCOc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1OC(F)F ZINC000509149492 917870356 /nfs/dbraw/zinc/87/03/56/917870356.db2.gz DHBLMIFXDVBNCE-UHFFFAOYSA-N 1 1 401.457 4.271 20 30 HIEDMO CCOc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1OC(F)F ZINC000509149492 917870360 /nfs/dbraw/zinc/87/03/60/917870360.db2.gz DHBLMIFXDVBNCE-UHFFFAOYSA-N 1 1 401.457 4.271 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CCc2c(C)nc3sccn3c2=O)C(C)(C)C)cc1 ZINC000509391372 918057713 /nfs/dbraw/zinc/05/77/13/918057713.db2.gz YJJFVBZAFFVSRT-UHFFFAOYSA-N 1 1 411.571 4.472 20 30 HIEDMO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000509478769 918124774 /nfs/dbraw/zinc/12/47/74/918124774.db2.gz IVVMPZZVRTXHBJ-LBPRGKRZSA-N 1 1 404.333 4.330 20 30 HIEDMO C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000509478769 918124789 /nfs/dbraw/zinc/12/47/89/918124789.db2.gz IVVMPZZVRTXHBJ-LBPRGKRZSA-N 1 1 404.333 4.330 20 30 HIEDMO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000509478764 918124820 /nfs/dbraw/zinc/12/48/20/918124820.db2.gz IVVMPZZVRTXHBJ-GFCCVEGCSA-N 1 1 404.333 4.330 20 30 HIEDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000509478764 918124830 /nfs/dbraw/zinc/12/48/30/918124830.db2.gz IVVMPZZVRTXHBJ-GFCCVEGCSA-N 1 1 404.333 4.330 20 30 HIEDMO Cc1c(C#N)cccc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000510289494 918810845 /nfs/dbraw/zinc/81/08/45/918810845.db2.gz XYIRPSHQBWYTTD-UHFFFAOYSA-N 1 1 412.331 4.024 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510422571 918888360 /nfs/dbraw/zinc/88/83/60/918888360.db2.gz AVADSSRXBWCHKV-RBBKRZOGSA-N 1 1 415.541 4.235 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000510636685 919077366 /nfs/dbraw/zinc/07/73/66/919077366.db2.gz CLIPCKCFKKYRHC-OAQYLSRUSA-N 1 1 423.582 4.199 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511102950 919708183 /nfs/dbraw/zinc/70/81/83/919708183.db2.gz AQMVSEJEILTQGR-LJQANCHMSA-N 1 1 408.502 4.021 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511102950 919708198 /nfs/dbraw/zinc/70/81/98/919708198.db2.gz AQMVSEJEILTQGR-LJQANCHMSA-N 1 1 408.502 4.021 20 30 HIEDMO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511282645 919877476 /nfs/dbraw/zinc/87/74/76/919877476.db2.gz AVHIYSHMFNEWSN-IEBWSBKVSA-N 1 1 407.514 4.113 20 30 HIEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615008 920268347 /nfs/dbraw/zinc/26/83/47/920268347.db2.gz FWDNBQQGHGOZMW-SFTDATJTSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511615008 920268361 /nfs/dbraw/zinc/26/83/61/920268361.db2.gz FWDNBQQGHGOZMW-SFTDATJTSA-N 1 1 400.567 4.046 20 30 HIEDMO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512221165 920971118 /nfs/dbraw/zinc/97/11/18/920971118.db2.gz HIVLYTFFKLEMMW-HXUWFJFHSA-N 1 1 405.542 4.183 20 30 HIEDMO CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512221165 920971128 /nfs/dbraw/zinc/97/11/28/920971128.db2.gz HIVLYTFFKLEMMW-HXUWFJFHSA-N 1 1 405.542 4.183 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000513863984 922192305 /nfs/dbraw/zinc/19/23/05/922192305.db2.gz OTODJBKFCFWIEZ-UHFFFAOYSA-N 1 1 406.530 4.129 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3sccc3C2)c1C#N ZINC000514332551 922598385 /nfs/dbraw/zinc/59/83/85/922598385.db2.gz VZLKXIBOLZIAKA-UHFFFAOYSA-N 1 1 408.527 4.066 20 30 HIEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(OC)c1 ZINC000515013521 922876348 /nfs/dbraw/zinc/87/63/48/922876348.db2.gz HSTCBXINIKLUJR-FGTMMUONSA-N 1 1 401.469 4.216 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000515096125 922907910 /nfs/dbraw/zinc/90/79/10/922907910.db2.gz APBSFYPPIGXMKI-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000515096125 922907919 /nfs/dbraw/zinc/90/79/19/922907919.db2.gz APBSFYPPIGXMKI-VQTJNVASSA-N 1 1 402.420 4.321 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000515759547 923332075 /nfs/dbraw/zinc/33/20/75/923332075.db2.gz OKRUHUYIKPGFQW-HSALFYBXSA-N 1 1 404.558 4.153 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000515759547 923332093 /nfs/dbraw/zinc/33/20/93/923332093.db2.gz OKRUHUYIKPGFQW-HSALFYBXSA-N 1 1 404.558 4.153 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000515819421 923372616 /nfs/dbraw/zinc/37/26/16/923372616.db2.gz GGVOWQRRCBAVFX-UHFFFAOYSA-N 1 1 414.509 4.236 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000516472307 923750378 /nfs/dbraw/zinc/75/03/78/923750378.db2.gz XXWVODATCSXXJY-IBGZPJMESA-N 1 1 423.532 4.211 20 30 HIEDMO N#Cc1cccc(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000516556462 923793766 /nfs/dbraw/zinc/79/37/66/923793766.db2.gz JRNJYWZLMOEKNB-UHFFFAOYSA-N 1 1 410.521 4.175 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)c2)CCO1 ZINC000516899665 923935474 /nfs/dbraw/zinc/93/54/74/923935474.db2.gz UDAWRMDGPYKFQK-OAHLLOKOSA-N 1 1 408.452 4.217 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)c2)CCO1 ZINC000516899665 923935482 /nfs/dbraw/zinc/93/54/82/923935482.db2.gz UDAWRMDGPYKFQK-OAHLLOKOSA-N 1 1 408.452 4.217 20 30 HIEDMO C=CC[N@@H+](Cc1csc(Br)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529661 924248276 /nfs/dbraw/zinc/24/82/76/924248276.db2.gz IUMMBKWOVDGFHP-CYBMUJFWSA-N 1 1 404.337 4.236 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529201 924248811 /nfs/dbraw/zinc/24/88/11/924248811.db2.gz OMTJBQJJWCOJBL-OAHLLOKOSA-N 1 1 421.892 4.115 20 30 HIEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529201 924248817 /nfs/dbraw/zinc/24/88/17/924248817.db2.gz OMTJBQJJWCOJBL-OAHLLOKOSA-N 1 1 421.892 4.115 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540115 924253513 /nfs/dbraw/zinc/25/35/13/924253513.db2.gz NTLQHGQJWGWPPC-DYESRHJHSA-N 1 1 415.459 4.192 20 30 HIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000517605855 926713197 /nfs/dbraw/zinc/71/31/97/926713197.db2.gz DKGJMAPZLCTZOM-FQEVSTJZSA-N 1 1 409.555 4.455 20 30 HIEDMO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000517657494 926765164 /nfs/dbraw/zinc/76/51/64/926765164.db2.gz ZGGKQEFKTQMLKG-FQEVSTJZSA-N 1 1 413.521 4.388 20 30 HIEDMO C=CCc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1OC ZINC000517717508 926812242 /nfs/dbraw/zinc/81/22/42/926812242.db2.gz SLOJVEAJQNOXIL-FQEVSTJZSA-N 1 1 402.922 4.005 20 30 HIEDMO CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000517781118 926833630 /nfs/dbraw/zinc/83/36/30/926833630.db2.gz HVCLYHTVWCUSEG-XMMPIXPASA-N 1 1 404.558 4.315 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254924 927112530 /nfs/dbraw/zinc/11/25/30/927112530.db2.gz BHLPMFYZQHKMCN-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254924 927112542 /nfs/dbraw/zinc/11/25/42/927112542.db2.gz BHLPMFYZQHKMCN-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000518471218 927295111 /nfs/dbraw/zinc/29/51/11/927295111.db2.gz XXVUPMRTLOBHEF-LJQANCHMSA-N 1 1 410.493 4.128 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520195544 928381818 /nfs/dbraw/zinc/38/18/18/928381818.db2.gz CKYAGWXUGPOSSL-BRWVUGGUSA-N 1 1 404.580 4.090 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000520212821 928392684 /nfs/dbraw/zinc/39/26/84/928392684.db2.gz HLFGLYOWLMMQLD-SFHVURJKSA-N 1 1 410.587 4.234 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000520212821 928392696 /nfs/dbraw/zinc/39/26/96/928392696.db2.gz HLFGLYOWLMMQLD-SFHVURJKSA-N 1 1 410.587 4.234 20 30 HIEDMO Cn1cc(-c2ccc3c(c2)N(CC2C[NH+](Cc4ccc(C#N)s4)C2)CC3(C)C)cn1 ZINC000520612580 928673359 /nfs/dbraw/zinc/67/33/59/928673359.db2.gz MJSIGZHVDNRVKG-UHFFFAOYSA-N 1 1 417.582 4.250 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+](C)C2CCCCC2)cc1C ZINC000520634792 928689885 /nfs/dbraw/zinc/68/98/85/928689885.db2.gz MNOYRKMMYXOWAQ-UHFFFAOYSA-N 1 1 407.562 4.075 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000521801447 929462476 /nfs/dbraw/zinc/46/24/76/929462476.db2.gz WZYJVOLPKCAMHZ-FCHUYYIVSA-N 1 1 419.525 4.432 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000521801447 929462493 /nfs/dbraw/zinc/46/24/93/929462493.db2.gz WZYJVOLPKCAMHZ-FCHUYYIVSA-N 1 1 419.525 4.432 20 30 HIEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810441 929467755 /nfs/dbraw/zinc/46/77/55/929467755.db2.gz OQKUGBXNWAWVMW-KRWDZBQOSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810441 929467768 /nfs/dbraw/zinc/46/77/68/929467768.db2.gz OQKUGBXNWAWVMW-KRWDZBQOSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000524580848 929697486 /nfs/dbraw/zinc/69/74/86/929697486.db2.gz BRGACLPIOZQUIM-UHFFFAOYSA-N 1 1 405.608 4.259 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000524757546 929820213 /nfs/dbraw/zinc/82/02/13/929820213.db2.gz BVEZUGVOGJSMOI-DEOSSOPVSA-N 1 1 404.558 4.453 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000525269770 930120250 /nfs/dbraw/zinc/12/02/50/930120250.db2.gz UQYGPGXFRUXHLI-QHCPKHFHSA-N 1 1 408.542 4.098 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000525269770 930120257 /nfs/dbraw/zinc/12/02/57/930120257.db2.gz UQYGPGXFRUXHLI-QHCPKHFHSA-N 1 1 408.542 4.098 20 30 HIEDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662905 930791143 /nfs/dbraw/zinc/79/11/43/930791143.db2.gz OADMEKQMFIWTMU-DLBZAZTESA-N 1 1 402.608 4.022 20 30 HIEDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662905 930791148 /nfs/dbraw/zinc/79/11/48/930791148.db2.gz OADMEKQMFIWTMU-DLBZAZTESA-N 1 1 402.608 4.022 20 30 HIEDMO N#Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000531385082 931039502 /nfs/dbraw/zinc/03/95/02/931039502.db2.gz JNVOPIGUJMZXNL-JOCHJYFZSA-N 1 1 401.535 4.078 20 30 HIEDMO N#Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000531385082 931039510 /nfs/dbraw/zinc/03/95/10/931039510.db2.gz JNVOPIGUJMZXNL-JOCHJYFZSA-N 1 1 401.535 4.078 20 30 HIEDMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000531646453 931137843 /nfs/dbraw/zinc/13/78/43/931137843.db2.gz SEMDCWHYJMTGAG-HSZRJFAPSA-N 1 1 421.541 4.068 20 30 HIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000532460543 931444550 /nfs/dbraw/zinc/44/45/50/931444550.db2.gz WTSXMJHNYWZOLU-UHFFFAOYSA-N 1 1 404.146 4.357 20 30 HIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000532460543 931444554 /nfs/dbraw/zinc/44/45/54/931444554.db2.gz WTSXMJHNYWZOLU-UHFFFAOYSA-N 1 1 404.146 4.357 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699583 931593812 /nfs/dbraw/zinc/59/38/12/931593812.db2.gz UZRZDYNRMOYVSF-FGTMMUONSA-N 1 1 414.619 4.164 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000532700705 931595327 /nfs/dbraw/zinc/59/53/27/931595327.db2.gz ZBSLNTNAHXTRDV-SVFBPWRDSA-N 1 1 416.997 4.232 20 30 HIEDMO C[NH+](C)CC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000532892345 931682436 /nfs/dbraw/zinc/68/24/36/931682436.db2.gz PWWAGUVNEQBNOI-UHFFFAOYSA-N 1 1 414.509 4.249 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc2c(c1)OCO2 ZINC000532918232 931692891 /nfs/dbraw/zinc/69/28/91/931692891.db2.gz IRKZZLAGXUNYSH-INIZCTEOSA-N 1 1 411.527 4.270 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc2c(c1)OCO2 ZINC000532918232 931692897 /nfs/dbraw/zinc/69/28/97/931692897.db2.gz IRKZZLAGXUNYSH-INIZCTEOSA-N 1 1 411.527 4.270 20 30 HIEDMO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949832 931708011 /nfs/dbraw/zinc/70/80/11/931708011.db2.gz XHLIDPCDQNLQKK-QGZVFWFLSA-N 1 1 416.635 4.268 20 30 HIEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532965927 931717989 /nfs/dbraw/zinc/71/79/89/931717989.db2.gz SEYKZNUVASSGGZ-OAHLLOKOSA-N 1 1 419.441 4.121 20 30 HIEDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000532967765 931719355 /nfs/dbraw/zinc/71/93/55/931719355.db2.gz HSIPMJRACPJKIP-INIZCTEOSA-N 1 1 409.555 4.325 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970891 931720143 /nfs/dbraw/zinc/72/01/43/931720143.db2.gz ACDHSLGBLKLVDJ-DQLDELGASA-N 1 1 415.603 4.353 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000532988276 931727504 /nfs/dbraw/zinc/72/75/04/931727504.db2.gz SPGIJNILFJURLD-UWJYYQICSA-N 1 1 413.610 4.225 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013287 931735979 /nfs/dbraw/zinc/73/59/79/931735979.db2.gz IAJNYLBBTIAOPI-YLJYHZDGSA-N 1 1 402.523 4.153 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000533013287 931735983 /nfs/dbraw/zinc/73/59/83/931735983.db2.gz IAJNYLBBTIAOPI-YLJYHZDGSA-N 1 1 402.523 4.153 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000533225701 931814054 /nfs/dbraw/zinc/81/40/54/931814054.db2.gz LYMOZUDKCDQCPX-OAHLLOKOSA-N 1 1 418.310 4.355 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000533225701 931814055 /nfs/dbraw/zinc/81/40/55/931814055.db2.gz LYMOZUDKCDQCPX-OAHLLOKOSA-N 1 1 418.310 4.355 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000533243201 931817345 /nfs/dbraw/zinc/81/73/45/931817345.db2.gz JVIBYTOONGHEJM-QFIPXVFZSA-N 1 1 416.525 4.259 20 30 HIEDMO CC(C)C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533254955 931820182 /nfs/dbraw/zinc/82/01/82/931820182.db2.gz QOCMFXQCNBITHQ-QHCPKHFHSA-N 1 1 418.566 4.379 20 30 HIEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285163 931828042 /nfs/dbraw/zinc/82/80/42/931828042.db2.gz RANGCPJGTYGVMY-LJQANCHMSA-N 1 1 416.525 4.036 20 30 HIEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285163 931828043 /nfs/dbraw/zinc/82/80/43/931828043.db2.gz RANGCPJGTYGVMY-LJQANCHMSA-N 1 1 416.525 4.036 20 30 HIEDMO CCC(CC)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000533403828 931859552 /nfs/dbraw/zinc/85/95/52/931859552.db2.gz BBXIAEHEHZDPFH-LJQANCHMSA-N 1 1 412.578 4.009 20 30 HIEDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1 ZINC000533402193 931859558 /nfs/dbraw/zinc/85/95/58/931859558.db2.gz ZRDLOPQJEXHRJM-HKUYNNGSSA-N 1 1 409.555 4.375 20 30 HIEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1 ZINC000533402193 931859562 /nfs/dbraw/zinc/85/95/62/931859562.db2.gz ZRDLOPQJEXHRJM-HKUYNNGSSA-N 1 1 409.555 4.375 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000533424630 931864090 /nfs/dbraw/zinc/86/40/90/931864090.db2.gz CELNTVMMJLPUSK-MRXNPFEDSA-N 1 1 400.567 4.046 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccccc2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533816628 932044982 /nfs/dbraw/zinc/04/49/82/932044982.db2.gz XCGFRWAVMKATJG-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533816628 932044988 /nfs/dbraw/zinc/04/49/88/932044988.db2.gz XCGFRWAVMKATJG-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000534205431 932330755 /nfs/dbraw/zinc/33/07/55/932330755.db2.gz FVFAOXLJPUPZBU-DHIUTWEWSA-N 1 1 414.594 4.052 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000534217798 932338938 /nfs/dbraw/zinc/33/89/38/932338938.db2.gz HRHDICIHNNJKCJ-OAHLLOKOSA-N 1 1 421.467 4.374 20 30 HIEDMO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534381202 932408908 /nfs/dbraw/zinc/40/89/08/932408908.db2.gz PIUXTBGBUZVLRO-UHFFFAOYSA-N 1 1 402.589 4.157 20 30 HIEDMO N#Cc1ccc(SCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000534934065 932845100 /nfs/dbraw/zinc/84/51/00/932845100.db2.gz GIDCQEVYCWJHHN-IBGZPJMESA-N 1 1 417.937 4.396 20 30 HIEDMO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000535572087 933247483 /nfs/dbraw/zinc/24/74/83/933247483.db2.gz PEHAJYVJMOVVAL-GGAORHGYSA-N 1 1 411.933 4.322 20 30 HIEDMO C[N@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000535572087 933247487 /nfs/dbraw/zinc/24/74/87/933247487.db2.gz PEHAJYVJMOVVAL-GGAORHGYSA-N 1 1 411.933 4.322 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 ZINC000535971768 933534828 /nfs/dbraw/zinc/53/48/28/933534828.db2.gz NHQKHFMSYOUGHX-UHFFFAOYSA-N 1 1 423.944 4.199 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 ZINC000535971768 933534840 /nfs/dbraw/zinc/53/48/40/933534840.db2.gz NHQKHFMSYOUGHX-UHFFFAOYSA-N 1 1 423.944 4.199 20 30 HIEDMO N#CC1(c2ccccc2)CCC(Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000536103981 933656224 /nfs/dbraw/zinc/65/62/24/933656224.db2.gz UQJMJTZMCQCLBD-LAJDMCDJSA-N 1 1 416.569 4.200 20 30 HIEDMO COc1c(Br)cc(C[N@H+](CCC#N)CC2CC2)cc1Br ZINC000537637243 938342933 /nfs/dbraw/zinc/34/29/33/938342933.db2.gz RGLHMTBBYAEMCT-UHFFFAOYSA-N 1 1 402.130 4.346 20 30 HIEDMO COc1c(Br)cc(C[N@@H+](CCC#N)CC2CC2)cc1Br ZINC000537637243 938342936 /nfs/dbraw/zinc/34/29/36/938342936.db2.gz RGLHMTBBYAEMCT-UHFFFAOYSA-N 1 1 402.130 4.346 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)c1C#N ZINC000538227757 938565705 /nfs/dbraw/zinc/56/57/05/938565705.db2.gz GXOPUCPCMCQFKP-AWEZNQCLSA-N 1 1 412.440 4.185 20 30 HIEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718432 938689630 /nfs/dbraw/zinc/68/96/30/938689630.db2.gz RNMPXBVSKINJSN-QHCPKHFHSA-N 1 1 419.525 4.297 20 30 HIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718432 938689633 /nfs/dbraw/zinc/68/96/33/938689633.db2.gz RNMPXBVSKINJSN-QHCPKHFHSA-N 1 1 419.525 4.297 20 30 HIEDMO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538740219 938698365 /nfs/dbraw/zinc/69/83/65/938698365.db2.gz UZSFXVPGJGHQOZ-OAQYLSRUSA-N 1 1 412.537 4.411 20 30 HIEDMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538740219 938698370 /nfs/dbraw/zinc/69/83/70/938698370.db2.gz UZSFXVPGJGHQOZ-OAQYLSRUSA-N 1 1 412.537 4.411 20 30 HIEDMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000538785074 938710429 /nfs/dbraw/zinc/71/04/29/938710429.db2.gz YRGRUEUFWRYGGF-HXUWFJFHSA-N 1 1 421.541 4.012 20 30 HIEDMO COc1ccccc1COC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000538785641 938710747 /nfs/dbraw/zinc/71/07/47/938710747.db2.gz DSHUDBIAIOLJNC-UHFFFAOYSA-N 1 1 402.441 4.349 20 30 HIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)n2c1 ZINC000538802898 938716498 /nfs/dbraw/zinc/71/64/98/938716498.db2.gz ZGGXTHPJZTYSGP-SFHVURJKSA-N 1 1 418.545 4.481 20 30 HIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)n2c1 ZINC000538802898 938716500 /nfs/dbraw/zinc/71/65/00/938716500.db2.gz ZGGXTHPJZTYSGP-SFHVURJKSA-N 1 1 418.545 4.481 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000538946104 938744032 /nfs/dbraw/zinc/74/40/32/938744032.db2.gz LWJWLTKOCOAERB-GVDBMIGSSA-N 1 1 416.635 4.124 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1C#N ZINC000539332324 938843114 /nfs/dbraw/zinc/84/31/14/938843114.db2.gz PZKVCUUDSSMTSI-UHFFFAOYSA-N 1 1 406.555 4.442 20 30 HIEDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C2CC2)no1 ZINC000539492934 938868202 /nfs/dbraw/zinc/86/82/02/938868202.db2.gz CSYVBWMROONHCZ-SFHVURJKSA-N 1 1 413.547 4.074 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539494740 938868550 /nfs/dbraw/zinc/86/85/50/938868550.db2.gz OEOUFZXOSGJNDK-MZNJEOGPSA-N 1 1 420.534 4.411 20 30 HIEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821633 938945598 /nfs/dbraw/zinc/94/55/98/938945598.db2.gz AJZOWXNHQPOISK-VXKWHMMOSA-N 1 1 401.470 4.267 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821633 938945599 /nfs/dbraw/zinc/94/55/99/938945599.db2.gz AJZOWXNHQPOISK-VXKWHMMOSA-N 1 1 401.470 4.267 20 30 HIEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827657 938948516 /nfs/dbraw/zinc/94/85/16/938948516.db2.gz PEJHMYRWFKSIJK-VWLOTQADSA-N 1 1 402.494 4.311 20 30 HIEDMO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389931 939227128 /nfs/dbraw/zinc/22/71/28/939227128.db2.gz JPKPFRJUKRABQY-DNVCBOLYSA-N 1 1 401.457 4.349 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541107242 939462915 /nfs/dbraw/zinc/46/29/15/939462915.db2.gz NCVDTHDBDICGKB-RBUKOAKNSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541107242 939462916 /nfs/dbraw/zinc/46/29/16/939462916.db2.gz NCVDTHDBDICGKB-RBUKOAKNSA-N 1 1 406.933 4.338 20 30 HIEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000541141327 939474578 /nfs/dbraw/zinc/47/45/78/939474578.db2.gz XMDWVPRUSKEUSR-HXUWFJFHSA-N 1 1 405.889 4.000 20 30 HIEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000541141327 939474580 /nfs/dbraw/zinc/47/45/80/939474580.db2.gz XMDWVPRUSKEUSR-HXUWFJFHSA-N 1 1 405.889 4.000 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC000541320579 939490774 /nfs/dbraw/zinc/49/07/74/939490774.db2.gz ZNBIYADCRPJBIC-CYFREDJKSA-N 1 1 421.541 4.424 20 30 HIEDMO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000541967340 939664773 /nfs/dbraw/zinc/66/47/73/939664773.db2.gz UQLPGYMILWEDQG-ZEQRLZLVSA-N 1 1 407.558 4.150 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533296 939838908 /nfs/dbraw/zinc/83/89/08/939838908.db2.gz LSZIEDMBXCCGCU-QRVBRYPASA-N 1 1 414.619 4.262 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000542708664 939855677 /nfs/dbraw/zinc/85/56/77/939855677.db2.gz KUXHSDRWAVTISQ-OAHLLOKOSA-N 1 1 410.352 4.414 20 30 HIEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)sc2C1 ZINC000543131391 939963205 /nfs/dbraw/zinc/96/32/05/939963205.db2.gz KUQLXMTVLGUNFY-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)sc2C1 ZINC000543131391 939963215 /nfs/dbraw/zinc/96/32/15/939963215.db2.gz KUQLXMTVLGUNFY-UHFFFAOYSA-N 1 1 422.510 4.206 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000543245045 940007028 /nfs/dbraw/zinc/00/70/28/940007028.db2.gz LJPFFHHUMQHZBV-OAQYLSRUSA-N 1 1 422.573 4.058 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000543245045 940007033 /nfs/dbraw/zinc/00/70/33/940007033.db2.gz LJPFFHHUMQHZBV-OAQYLSRUSA-N 1 1 422.573 4.058 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C2CC2)s1 ZINC000543463752 940072040 /nfs/dbraw/zinc/07/20/40/940072040.db2.gz QEVKEODCAFQGIP-OAQYLSRUSA-N 1 1 419.554 4.410 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1c(C)noc1C ZINC000543508300 940089392 /nfs/dbraw/zinc/08/93/92/940089392.db2.gz LSMGFJODPMWRGI-HXUWFJFHSA-N 1 1 423.492 4.389 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563780429 945300304 /nfs/dbraw/zinc/30/03/04/945300304.db2.gz GODLNSGSMLFILG-IFMALSPDSA-N 1 1 416.573 4.324 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000563780433 945300497 /nfs/dbraw/zinc/30/04/97/945300497.db2.gz GODLNSGSMLFILG-UNMCSNQZSA-N 1 1 416.573 4.324 20 30 HIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000544130849 940334005 /nfs/dbraw/zinc/33/40/05/940334005.db2.gz VYQWYXHASRRYIU-CAOCKLPOSA-N 1 1 405.542 4.280 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544189613 940348619 /nfs/dbraw/zinc/34/86/19/940348619.db2.gz IPIYCWWMSPKINC-QGZVFWFLSA-N 1 1 404.539 4.413 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544189613 940348623 /nfs/dbraw/zinc/34/86/23/940348623.db2.gz IPIYCWWMSPKINC-QGZVFWFLSA-N 1 1 404.539 4.413 20 30 HIEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)s1 ZINC000544422458 940421879 /nfs/dbraw/zinc/42/18/79/940421879.db2.gz UWDOUDJJXQXYJV-ORAYPTAESA-N 1 1 400.573 4.383 20 30 HIEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000546029300 940677497 /nfs/dbraw/zinc/67/74/97/940677497.db2.gz UQJFDGSQXTXHKY-QFIPXVFZSA-N 1 1 421.342 4.380 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000546711016 940871433 /nfs/dbraw/zinc/87/14/33/940871433.db2.gz DUNUEXJGGFTWLP-UNMCSNQZSA-N 1 1 404.514 4.085 20 30 HIEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000549429955 941189156 /nfs/dbraw/zinc/18/91/56/941189156.db2.gz DFECTVKSTUMESZ-SFHVURJKSA-N 1 1 420.586 4.417 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549685413 941204418 /nfs/dbraw/zinc/20/44/18/941204418.db2.gz KKCZBSWBRIOFAJ-MOPGFXCFSA-N 1 1 415.557 4.301 20 30 HIEDMO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549685416 941204430 /nfs/dbraw/zinc/20/44/30/941204430.db2.gz KKCZBSWBRIOFAJ-RTBURBONSA-N 1 1 415.557 4.301 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000549691140 941204713 /nfs/dbraw/zinc/20/47/13/941204713.db2.gz WOKCEVRDEVUDLS-FQEVSTJZSA-N 1 1 408.594 4.397 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549698095 941204964 /nfs/dbraw/zinc/20/49/64/941204964.db2.gz ASGPPERSLBTEEN-OALUTQOASA-N 1 1 415.557 4.301 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)c1C#N ZINC000550185855 941295288 /nfs/dbraw/zinc/29/52/88/941295288.db2.gz BGPMGINYHRZLKM-NRFANRHFSA-N 1 1 400.567 4.167 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)c1C#N ZINC000550185855 941295293 /nfs/dbraw/zinc/29/52/93/941295293.db2.gz BGPMGINYHRZLKM-NRFANRHFSA-N 1 1 400.567 4.167 20 30 HIEDMO COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302600 /nfs/dbraw/zinc/30/26/00/941302600.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 1 1 405.542 4.064 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000550358655 941318187 /nfs/dbraw/zinc/31/81/87/941318187.db2.gz DTYRHIXANPUAKO-IXDOHACOSA-N 1 1 416.635 4.124 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275745 941441527 /nfs/dbraw/zinc/44/15/27/941441527.db2.gz ZQPLUNUBFLOHEG-NCXUSEDFSA-N 1 1 407.480 4.194 20 30 HIEDMO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412537 941473286 /nfs/dbraw/zinc/47/32/86/941473286.db2.gz YEXIZCALKJDOEU-MRVPVSSYSA-N 1 1 410.280 4.223 20 30 HIEDMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412537 941473289 /nfs/dbraw/zinc/47/32/89/941473289.db2.gz YEXIZCALKJDOEU-MRVPVSSYSA-N 1 1 410.280 4.223 20 30 HIEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000552753741 941752772 /nfs/dbraw/zinc/75/27/72/941752772.db2.gz QWQBMUZUTLEXCD-QFIPXVFZSA-N 1 1 413.525 4.358 20 30 HIEDMO N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000553174330 941844890 /nfs/dbraw/zinc/84/48/90/941844890.db2.gz QAFVYOIUWPIFOX-SANMLTNESA-N 1 1 424.548 4.189 20 30 HIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000553434727 941884309 /nfs/dbraw/zinc/88/43/09/941884309.db2.gz PEALXPHBMKYZKG-LJQANCHMSA-N 1 1 406.505 4.134 20 30 HIEDMO CC(C)(C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1cc(F)cc(C#N)c1 ZINC000553510187 941899578 /nfs/dbraw/zinc/89/95/78/941899578.db2.gz WTLFLIFQQWZHBE-VWLOTQADSA-N 1 1 405.517 4.100 20 30 HIEDMO CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554132999 942045958 /nfs/dbraw/zinc/04/59/58/942045958.db2.gz REWDFEJUDWLNCY-AIZNXBIQSA-N 1 1 418.541 4.421 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554160743 942052531 /nfs/dbraw/zinc/05/25/31/942052531.db2.gz VEQFCLKMSWDCEX-XMMPIXPASA-N 1 1 404.514 4.087 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000554253615 942079858 /nfs/dbraw/zinc/07/98/58/942079858.db2.gz MAPJFAULSAVDCS-JTQLQIEISA-N 1 1 418.328 4.264 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000554253615 942079866 /nfs/dbraw/zinc/07/98/66/942079866.db2.gz MAPJFAULSAVDCS-JTQLQIEISA-N 1 1 418.328 4.264 20 30 HIEDMO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1OCc1cccnc1 ZINC000554560563 942168015 /nfs/dbraw/zinc/16/80/15/942168015.db2.gz ZJQPPZREDLXXQT-UHFFFAOYSA-N 1 1 414.509 4.122 20 30 HIEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554626424 942179237 /nfs/dbraw/zinc/17/92/37/942179237.db2.gz OOOWJFSOHAIFIB-UHFFFAOYSA-N 1 1 406.578 4.179 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)cc1 ZINC000554797997 942243514 /nfs/dbraw/zinc/24/35/14/942243514.db2.gz BVTIJRBCZWJSGY-XMMPIXPASA-N 1 1 420.534 4.110 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840670 942278228 /nfs/dbraw/zinc/27/82/28/942278228.db2.gz ZROAFGHNZGFKOB-QPPBQGQZSA-N 1 1 416.481 4.113 20 30 HIEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000554852300 942289769 /nfs/dbraw/zinc/28/97/69/942289769.db2.gz COQYZSVGSYRVDJ-OAHLLOKOSA-N 1 1 413.543 4.266 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000555255308 942449126 /nfs/dbraw/zinc/44/91/26/942449126.db2.gz CSHGMTUNEDORQH-UHFFFAOYSA-N 1 1 411.594 4.478 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000555266166 942454234 /nfs/dbraw/zinc/45/42/34/942454234.db2.gz WHNYLSUPGZFOKY-NRFANRHFSA-N 1 1 422.621 4.321 20 30 HIEDMO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000555363837 942496280 /nfs/dbraw/zinc/49/62/80/942496280.db2.gz MCBYVIVNKDDAJH-SFHVURJKSA-N 1 1 420.586 4.417 20 30 HIEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000556909412 942961082 /nfs/dbraw/zinc/96/10/82/942961082.db2.gz CSEGCDPGUBASGS-UHFFFAOYSA-N 1 1 415.921 4.348 20 30 HIEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000556909412 942961089 /nfs/dbraw/zinc/96/10/89/942961089.db2.gz CSEGCDPGUBASGS-UHFFFAOYSA-N 1 1 415.921 4.348 20 30 HIEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000559000717 943797674 /nfs/dbraw/zinc/79/76/74/943797674.db2.gz AXWROXMXBUCZEB-DENIHFKCSA-N 1 1 409.553 4.037 20 30 HIEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000559011957 943803308 /nfs/dbraw/zinc/80/33/08/943803308.db2.gz XIPABLNLUIALGZ-UHFFFAOYSA-N 1 1 405.590 4.299 20 30 HIEDMO C=CC[C@H]1N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000560674519 944290033 /nfs/dbraw/zinc/29/00/33/944290033.db2.gz GWASSIDIIIDSDL-TZRRMPRUSA-N 1 1 420.601 4.229 20 30 HIEDMO N#Cc1ccc(CSCC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000561086221 944439587 /nfs/dbraw/zinc/43/95/87/944439587.db2.gz YQLZSSZIWHLDDB-NRFANRHFSA-N 1 1 405.523 4.032 20 30 HIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000561144616 944480712 /nfs/dbraw/zinc/48/07/12/944480712.db2.gz KBKTUSCRIJBYQR-IBGZPJMESA-N 1 1 408.303 4.069 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885831 /nfs/dbraw/zinc/88/58/31/944885831.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000561983073 944885837 /nfs/dbraw/zinc/88/58/37/944885837.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OCC ZINC000561983073 944885845 /nfs/dbraw/zinc/88/58/45/944885845.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 1 1 411.384 4.185 20 30 HIEDMO N#Cc1ccc(CSCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000562187001 945009842 /nfs/dbraw/zinc/00/98/42/945009842.db2.gz QNJGUZUXCBYRSD-HSZRJFAPSA-N 1 1 407.583 4.210 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000562243304 945038739 /nfs/dbraw/zinc/03/87/39/945038739.db2.gz PVOOMTMXEFVNPE-GOSISDBHSA-N 1 1 423.582 4.400 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000564528779 945656138 /nfs/dbraw/zinc/65/61/38/945656138.db2.gz KANWROTVMMHBTA-UHFFFAOYSA-N 1 1 405.395 4.111 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)Nc3cc[nH+]c(N4CCc5ccccc5C4)c3)CC2)c1 ZINC000564677012 945724495 /nfs/dbraw/zinc/72/44/95/945724495.db2.gz ZALOYWJGEICLNL-UHFFFAOYSA-N 1 1 412.468 4.325 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000566380457 946013628 /nfs/dbraw/zinc/01/36/28/946013628.db2.gz CQYMCXPLDYSGFZ-GOSISDBHSA-N 1 1 407.823 4.468 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000566380457 946013638 /nfs/dbraw/zinc/01/36/38/946013638.db2.gz CQYMCXPLDYSGFZ-GOSISDBHSA-N 1 1 407.823 4.468 20 30 HIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000569038110 946804689 /nfs/dbraw/zinc/80/46/89/946804689.db2.gz DBUDCIGWMGDXJY-UHFFFAOYSA-N 1 1 411.431 4.343 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000571365798 947623525 /nfs/dbraw/zinc/62/35/25/947623525.db2.gz SZTNIOYWCQJZAY-SIKLNZKXSA-N 1 1 402.546 4.188 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841488 947801877 /nfs/dbraw/zinc/80/18/77/947801877.db2.gz JUOZDAYYATVJKV-INIZCTEOSA-N 1 1 409.452 4.392 20 30 HIEDMO Cc1ccc(-c2noc(CCC[N@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1F ZINC000572519987 947926644 /nfs/dbraw/zinc/92/66/44/947926644.db2.gz RAIZLZGIQJNMLQ-UHFFFAOYSA-N 1 1 408.477 4.137 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2Cc3ccccc3C2)cc1 ZINC000572786813 948010900 /nfs/dbraw/zinc/01/09/00/948010900.db2.gz QZCYFCCZJUMCRD-UHFFFAOYSA-N 1 1 422.575 4.063 20 30 HIEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)cc1 ZINC000572786813 948010913 /nfs/dbraw/zinc/01/09/13/948010913.db2.gz QZCYFCCZJUMCRD-UHFFFAOYSA-N 1 1 422.575 4.063 20 30 HIEDMO Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@H](O)C[N@H+](C)C3CC3)n2)o1 ZINC000572896884 948033788 /nfs/dbraw/zinc/03/37/88/948033788.db2.gz OGGVKFZDCGIJRX-CYBMUJFWSA-N 1 1 411.449 4.088 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000573987878 948341638 /nfs/dbraw/zinc/34/16/38/948341638.db2.gz IDTSWAKZSLEEQI-UHFFFAOYSA-N 1 1 414.509 4.340 20 30 HIEDMO Cc1cc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843235 720664913 /nfs/dbraw/zinc/66/49/13/720664913.db2.gz VRZVYZBHAVEXFH-LJQANCHMSA-N 1 1 410.949 4.175 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]21 ZINC001165028182 721822720 /nfs/dbraw/zinc/82/27/20/721822720.db2.gz UVNMFYWHZYUFJH-NMVJMZGASA-N 1 1 424.552 4.147 20 30 HIEDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921022 721866204 /nfs/dbraw/zinc/86/62/04/721866204.db2.gz BVOXBDWNYITFJJ-SFTDATJTSA-N 1 1 417.582 4.050 20 30 HIEDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921022 721866205 /nfs/dbraw/zinc/86/62/05/721866205.db2.gz BVOXBDWNYITFJJ-SFTDATJTSA-N 1 1 417.582 4.050 20 30 HIEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953775 722018013 /nfs/dbraw/zinc/01/80/13/722018013.db2.gz ZFOVTPQRBGLVPZ-UHFFFAOYSA-N 1 1 417.891 4.039 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1C#N ZINC000007606478 845371653 /nfs/dbraw/zinc/37/16/53/845371653.db2.gz COTYQGWYNORMRP-UHFFFAOYSA-N 1 1 410.905 4.342 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1C#N ZINC000007606478 845371662 /nfs/dbraw/zinc/37/16/62/845371662.db2.gz COTYQGWYNORMRP-UHFFFAOYSA-N 1 1 410.905 4.342 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1C#N ZINC000012485903 845875245 /nfs/dbraw/zinc/87/52/45/845875245.db2.gz ZWOULOOALBQLSL-UHFFFAOYSA-N 1 1 402.498 4.005 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000436359345 861688448 /nfs/dbraw/zinc/68/84/48/861688448.db2.gz DWJNDMBGBJQYBT-GQUJEBGOSA-N 1 1 417.553 4.208 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000436359347 861689791 /nfs/dbraw/zinc/68/97/91/861689791.db2.gz DWJNDMBGBJQYBT-QPNVDGBVSA-N 1 1 417.553 4.208 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000436359347 861689806 /nfs/dbraw/zinc/68/98/06/861689806.db2.gz DWJNDMBGBJQYBT-QPNVDGBVSA-N 1 1 417.553 4.208 20 30 HIEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453579 847151854 /nfs/dbraw/zinc/15/18/54/847151854.db2.gz HUZMYDPJHURFHV-UHFFFAOYSA-N 1 1 423.847 4.282 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741141 848350539 /nfs/dbraw/zinc/35/05/39/848350539.db2.gz JUPOHNCFGPJLQT-SFHVURJKSA-N 1 1 401.514 4.382 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741141 848350542 /nfs/dbraw/zinc/35/05/42/848350542.db2.gz JUPOHNCFGPJLQT-SFHVURJKSA-N 1 1 401.514 4.382 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137720 849357564 /nfs/dbraw/zinc/35/75/64/849357564.db2.gz OEJMRIXKVZLLIT-FQEVSTJZSA-N 1 1 413.587 4.367 20 30 HIEDMO CC[C@H](C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056759053 850469176 /nfs/dbraw/zinc/46/91/76/850469176.db2.gz NIBLKRVRDUVFKR-IBGZPJMESA-N 1 1 406.530 4.475 20 30 HIEDMO COc1ccc(CCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000057042216 850536993 /nfs/dbraw/zinc/53/69/93/850536993.db2.gz AEAQXEIFTRPHDK-UHFFFAOYSA-N 1 1 405.542 4.014 20 30 HIEDMO Cc1nc(SCC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(C#N)c(C)c1C ZINC000058350565 850806014 /nfs/dbraw/zinc/80/60/14/850806014.db2.gz BDSVQGLCUSPWPY-UHFFFAOYSA-N 1 1 410.587 4.127 20 30 HIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477534 851112538 /nfs/dbraw/zinc/11/25/38/851112538.db2.gz AUYCSISQESUVGU-XMSQKQJNSA-N 1 1 419.525 4.076 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892813 851241813 /nfs/dbraw/zinc/24/18/13/851241813.db2.gz WKXHLDNZQWLQIF-NRFANRHFSA-N 1 1 414.594 4.386 20 30 HIEDMO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C#N ZINC000063123208 851618442 /nfs/dbraw/zinc/61/84/42/851618442.db2.gz NZVWTTSMGYCJLI-UHFFFAOYSA-N 1 1 421.501 4.116 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000063250295 851640372 /nfs/dbraw/zinc/64/03/72/851640372.db2.gz ZZZVXZPEAZAOEW-HXUWFJFHSA-N 1 1 411.477 4.161 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288179 851652324 /nfs/dbraw/zinc/65/23/24/851652324.db2.gz XMFLCBNUAIEFRK-UHFFFAOYSA-N 1 1 403.866 4.274 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000063402357 851679109 /nfs/dbraw/zinc/67/91/09/851679109.db2.gz FFTFKGBCFOJMCB-UHFFFAOYSA-N 1 1 402.542 4.093 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000063401875 851679222 /nfs/dbraw/zinc/67/92/22/851679222.db2.gz MVBCSXXAGPKCNW-DEOSSOPVSA-N 1 1 402.542 4.093 20 30 HIEDMO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1csc2ccccc12 ZINC000065950532 852330884 /nfs/dbraw/zinc/33/08/84/852330884.db2.gz GNZMNFNQCVRXJH-UHFFFAOYSA-N 1 1 401.495 4.029 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1csc2ccccc12 ZINC000065950532 852330901 /nfs/dbraw/zinc/33/09/01/852330901.db2.gz GNZMNFNQCVRXJH-UHFFFAOYSA-N 1 1 401.495 4.029 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000105422287 852704742 /nfs/dbraw/zinc/70/47/42/852704742.db2.gz QPODUWGBBWGMBI-QGZVFWFLSA-N 1 1 403.935 4.283 20 30 HIEDMO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108054850 852819777 /nfs/dbraw/zinc/81/97/77/852819777.db2.gz AFSYWFYPDPHHPA-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108054850 852819781 /nfs/dbraw/zinc/81/97/81/852819781.db2.gz AFSYWFYPDPHHPA-SFHVURJKSA-N 1 1 411.933 4.022 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000108813101 852881331 /nfs/dbraw/zinc/88/13/31/852881331.db2.gz DAVLNIKJULZRMA-DEOSSOPVSA-N 1 1 405.542 4.231 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000108813101 852881334 /nfs/dbraw/zinc/88/13/34/852881334.db2.gz DAVLNIKJULZRMA-DEOSSOPVSA-N 1 1 405.542 4.231 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110198527 853071506 /nfs/dbraw/zinc/07/15/06/853071506.db2.gz UCUPKTZQEQITED-VWLOTQADSA-N 1 1 419.569 4.129 20 30 HIEDMO C#CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCc2ccccc21 ZINC000110981747 853178401 /nfs/dbraw/zinc/17/84/01/853178401.db2.gz CLVPGGTWGDULJP-XMMPIXPASA-N 1 1 412.537 4.440 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046268 853193306 /nfs/dbraw/zinc/19/33/06/853193306.db2.gz IRBXLSXIYOKKCX-QFIPXVFZSA-N 1 1 404.539 4.131 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000116781326 853332416 /nfs/dbraw/zinc/33/24/16/853332416.db2.gz JCGWTEZPDPENMS-KRWDZBQOSA-N 1 1 407.499 4.226 20 30 HIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000116781326 853332422 /nfs/dbraw/zinc/33/24/22/853332422.db2.gz JCGWTEZPDPENMS-KRWDZBQOSA-N 1 1 407.499 4.226 20 30 HIEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1C ZINC000150308553 853644056 /nfs/dbraw/zinc/64/40/56/853644056.db2.gz MAURYSKISCDAOC-PMACEKPBSA-N 1 1 407.562 4.073 20 30 HIEDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 ZINC000217146472 853860578 /nfs/dbraw/zinc/86/05/78/853860578.db2.gz IGOKOZYBMQBBGA-INIZCTEOSA-N 1 1 415.921 4.263 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933860 853893496 /nfs/dbraw/zinc/89/34/96/853893496.db2.gz WCKTXRRTVKZUBB-RTBURBONSA-N 1 1 402.498 4.343 20 30 HIEDMO CCc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236979748 853946545 /nfs/dbraw/zinc/94/65/45/853946545.db2.gz XZLLKLVGVATPOR-QFIPXVFZSA-N 1 1 410.564 4.465 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000237305906 854002378 /nfs/dbraw/zinc/00/23/78/854002378.db2.gz NONNCJJSGVTPFM-UHFFFAOYSA-N 1 1 405.267 4.323 20 30 HIEDMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 ZINC000237469275 854039224 /nfs/dbraw/zinc/03/92/24/854039224.db2.gz RXLBXPXUDIDBTQ-JOCHJYFZSA-N 1 1 412.461 4.119 20 30 HIEDMO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000301155392 854314718 /nfs/dbraw/zinc/31/47/18/854314718.db2.gz CSJJVLHFTYKZBY-UHFFFAOYSA-N 1 1 402.420 4.092 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2Br)c(OC)c1 ZINC000301313058 854355266 /nfs/dbraw/zinc/35/52/66/854355266.db2.gz BTIYFZAKGWLCLC-SFHVURJKSA-N 1 1 420.347 4.058 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2Br)c(OC)c1 ZINC000301313058 854355273 /nfs/dbraw/zinc/35/52/73/854355273.db2.gz BTIYFZAKGWLCLC-SFHVURJKSA-N 1 1 420.347 4.058 20 30 HIEDMO CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301675305 854442736 /nfs/dbraw/zinc/44/27/36/854442736.db2.gz SASDRBRQBGLKCC-ZWKOTPCHSA-N 1 1 404.436 4.064 20 30 HIEDMO CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301675305 854442741 /nfs/dbraw/zinc/44/27/41/854442741.db2.gz SASDRBRQBGLKCC-ZWKOTPCHSA-N 1 1 404.436 4.064 20 30 HIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950063 854692748 /nfs/dbraw/zinc/69/27/48/854692748.db2.gz DBGHIRPDUQCPDP-QFIPXVFZSA-N 1 1 405.542 4.266 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000303387034 854903801 /nfs/dbraw/zinc/90/38/01/854903801.db2.gz NXTZFMUPJSONJU-LJQANCHMSA-N 1 1 408.571 4.232 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000303387034 854903809 /nfs/dbraw/zinc/90/38/09/854903809.db2.gz NXTZFMUPJSONJU-LJQANCHMSA-N 1 1 408.571 4.232 20 30 HIEDMO CCC(CC)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000303414587 854915957 /nfs/dbraw/zinc/91/59/57/854915957.db2.gz VVFQXEIAWTYCAO-XLIONFOSSA-N 1 1 418.607 4.197 20 30 HIEDMO CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303441273 854940438 /nfs/dbraw/zinc/94/04/38/854940438.db2.gz HULNOFPTBRESOC-QHCPKHFHSA-N 1 1 405.542 4.035 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1C#N ZINC000303508549 854997356 /nfs/dbraw/zinc/99/73/56/854997356.db2.gz AXMSSRQGTRILKM-OAQYLSRUSA-N 1 1 416.525 4.046 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000303601663 855071443 /nfs/dbraw/zinc/07/14/43/855071443.db2.gz KAHGPPWEINLXOV-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000303601663 855071447 /nfs/dbraw/zinc/07/14/47/855071447.db2.gz KAHGPPWEINLXOV-RUZDIDTESA-N 1 1 411.505 4.266 20 30 HIEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000303745545 855168034 /nfs/dbraw/zinc/16/80/34/855168034.db2.gz JVOSOXWYVIGLLQ-DYESRHJHSA-N 1 1 410.949 4.135 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773947 855189789 /nfs/dbraw/zinc/18/97/89/855189789.db2.gz RFCUCNOIQKKQHS-ICSRJNTNSA-N 1 1 407.489 4.056 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773947 855189792 /nfs/dbraw/zinc/18/97/92/855189792.db2.gz RFCUCNOIQKKQHS-ICSRJNTNSA-N 1 1 407.489 4.056 20 30 HIEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303779072 855194153 /nfs/dbraw/zinc/19/41/53/855194153.db2.gz SDPOVJBERWJIEU-DYESRHJHSA-N 1 1 410.949 4.135 20 30 HIEDMO CC1CCN([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000303789288 855199581 /nfs/dbraw/zinc/19/95/81/855199581.db2.gz VFPLYXZCHUUPJR-GOSISDBHSA-N 1 1 414.575 4.109 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000303816146 855219236 /nfs/dbraw/zinc/21/92/36/855219236.db2.gz ZYTCGXOWSOVBHE-DENIHFKCSA-N 1 1 408.542 4.385 20 30 HIEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303859525 855254468 /nfs/dbraw/zinc/25/44/68/855254468.db2.gz GGGVPPLSRWVFAI-VLIAUNLRSA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303859525 855254477 /nfs/dbraw/zinc/25/44/77/855254477.db2.gz GGGVPPLSRWVFAI-VLIAUNLRSA-N 1 1 401.869 4.141 20 30 HIEDMO CN1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305666559 855361115 /nfs/dbraw/zinc/36/11/15/855361115.db2.gz IGMXVADHRSSCON-UTKZUKDTSA-N 1 1 400.929 4.387 20 30 HIEDMO N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728702 855623744 /nfs/dbraw/zinc/62/37/44/855623744.db2.gz QCGNGRGFTOCVEF-YLJYHZDGSA-N 1 1 400.448 4.463 20 30 HIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000410344642 855939305 /nfs/dbraw/zinc/93/93/05/855939305.db2.gz KWAXIIYZFQDNLZ-QFIPXVFZSA-N 1 1 410.558 4.390 20 30 HIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000410417401 855987211 /nfs/dbraw/zinc/98/72/11/855987211.db2.gz HMSFLJCJEWGECU-GOSISDBHSA-N 1 1 410.345 4.497 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426142719 856135259 /nfs/dbraw/zinc/13/52/59/856135259.db2.gz WHYABOGBQHMBRW-FPOVZHCZSA-N 1 1 412.921 4.013 20 30 HIEDMO CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426142719 856135272 /nfs/dbraw/zinc/13/52/72/856135272.db2.gz WHYABOGBQHMBRW-FPOVZHCZSA-N 1 1 412.921 4.013 20 30 HIEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@H]3CCOC3)sc2C1 ZINC000426435684 856289039 /nfs/dbraw/zinc/28/90/39/856289039.db2.gz DNHRXPHHMANLGX-CVEARBPZSA-N 1 1 403.592 4.068 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426670154 856404488 /nfs/dbraw/zinc/40/44/88/856404488.db2.gz CWLMGSDVTZQASV-MJGOQNOKSA-N 1 1 407.424 4.117 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426873712 856522406 /nfs/dbraw/zinc/52/24/06/856522406.db2.gz DAZFUGLJUPEXLW-QFIPXVFZSA-N 1 1 408.889 4.110 20 30 HIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426873712 856522414 /nfs/dbraw/zinc/52/24/14/856522414.db2.gz DAZFUGLJUPEXLW-QFIPXVFZSA-N 1 1 408.889 4.110 20 30 HIEDMO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426994932 856585626 /nfs/dbraw/zinc/58/56/26/856585626.db2.gz LBRZNSQCTYYGJB-OXQOHEQNSA-N 1 1 410.587 4.160 20 30 HIEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140642 856664934 /nfs/dbraw/zinc/66/49/34/856664934.db2.gz SYCQGGHFPYOLTI-ZJSXRUAMSA-N 1 1 408.542 4.144 20 30 HIEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140642 856664943 /nfs/dbraw/zinc/66/49/43/856664943.db2.gz SYCQGGHFPYOLTI-ZJSXRUAMSA-N 1 1 408.542 4.144 20 30 HIEDMO N#Cc1cnc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000427681407 856907618 /nfs/dbraw/zinc/90/76/18/856907618.db2.gz CLBQLNXDSUWMBL-UHFFFAOYSA-N 1 1 416.912 4.154 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546143 862878236 /nfs/dbraw/zinc/87/82/36/862878236.db2.gz FOMSQOMVTDUXQI-QAPCUYQASA-N 1 1 407.461 4.451 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802789 857350220 /nfs/dbraw/zinc/35/02/20/857350220.db2.gz JWFRFMVYCRTYKO-OAQYLSRUSA-N 1 1 412.493 4.102 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813370 857357385 /nfs/dbraw/zinc/35/73/85/857357385.db2.gz PLHJSJITKHWXSW-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813370 857357388 /nfs/dbraw/zinc/35/73/88/857357388.db2.gz PLHJSJITKHWXSW-MGPUTAFESA-N 1 1 417.431 4.368 20 30 HIEDMO CC(=O)N1CCC([N@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2cncs2)CC1 ZINC000429138240 857528404 /nfs/dbraw/zinc/52/84/04/857528404.db2.gz VFEHRAYJLVCIEI-UHFFFAOYSA-N 1 1 421.488 4.027 20 30 HIEDMO CC(=O)N1CCC([N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)Cc2cncs2)CC1 ZINC000429138240 857528410 /nfs/dbraw/zinc/52/84/10/857528410.db2.gz VFEHRAYJLVCIEI-UHFFFAOYSA-N 1 1 421.488 4.027 20 30 HIEDMO CC(C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000429244439 857571892 /nfs/dbraw/zinc/57/18/92/857571892.db2.gz GIZZDMQDELCXNG-UHFFFAOYSA-N 1 1 412.515 4.260 20 30 HIEDMO COc1ccccc1-c1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 ZINC000430077037 858021793 /nfs/dbraw/zinc/02/17/93/858021793.db2.gz OECGWZYMUNJWIV-UHFFFAOYSA-N 1 1 418.472 4.206 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000430110987 858037044 /nfs/dbraw/zinc/03/70/44/858037044.db2.gz MTLHKIGJLKWJFY-DOTOQJQBSA-N 1 1 402.279 4.500 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000430110987 858037047 /nfs/dbraw/zinc/03/70/47/858037047.db2.gz MTLHKIGJLKWJFY-DOTOQJQBSA-N 1 1 402.279 4.500 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244978 858094091 /nfs/dbraw/zinc/09/40/91/858094091.db2.gz ZFVPYUKVGHGYMU-UZLBHIALSA-N 1 1 419.294 4.037 20 30 HIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000430244978 858094095 /nfs/dbraw/zinc/09/40/95/858094095.db2.gz ZFVPYUKVGHGYMU-UZLBHIALSA-N 1 1 419.294 4.037 20 30 HIEDMO Cn1cc(C[N@@H+](CCC(=O)Nc2sccc2C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430270867 858104086 /nfs/dbraw/zinc/10/40/86/858104086.db2.gz WJPWWZRNBIBINX-UHFFFAOYSA-N 1 1 413.934 4.038 20 30 HIEDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@H](C)O2 ZINC000430779836 858301817 /nfs/dbraw/zinc/30/18/17/858301817.db2.gz GPWMSCZJHZYRHM-RNHFSVANSA-N 1 1 406.526 4.296 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917217 858869245 /nfs/dbraw/zinc/86/92/45/858869245.db2.gz UTCMXUJBBNSURY-PKTZIBPZSA-N 1 1 422.598 4.338 20 30 HIEDMO N#CCCC[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000431917217 858869248 /nfs/dbraw/zinc/86/92/48/858869248.db2.gz UTCMXUJBBNSURY-PKTZIBPZSA-N 1 1 422.598 4.338 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000432874912 859402754 /nfs/dbraw/zinc/40/27/54/859402754.db2.gz WEQDKXCFUSXDGV-XMMPIXPASA-N 1 1 404.514 4.005 20 30 HIEDMO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000433022445 859482964 /nfs/dbraw/zinc/48/29/64/859482964.db2.gz KNENLXJBXAQHIV-HSZRJFAPSA-N 1 1 422.598 4.199 20 30 HIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304899 859627843 /nfs/dbraw/zinc/62/78/43/859627843.db2.gz OJKACNHARUUFBM-KRWDZBQOSA-N 1 1 423.314 4.435 20 30 HIEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000434773055 860490028 /nfs/dbraw/zinc/49/00/28/860490028.db2.gz FINHMLOJJRPTGJ-KDURUIRLSA-N 1 1 423.582 4.329 20 30 HIEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886868 860536938 /nfs/dbraw/zinc/53/69/38/860536938.db2.gz NIWGTTZXNMFFRD-AWEZNQCLSA-N 1 1 408.449 4.242 20 30 HIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000434985869 860586686 /nfs/dbraw/zinc/58/66/86/860586686.db2.gz KZQOGIJGOUUTPJ-XZOQPEGZSA-N 1 1 419.504 4.350 20 30 HIEDMO CC(C)[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000435124054 860651704 /nfs/dbraw/zinc/65/17/04/860651704.db2.gz LHLHXNPGOAUMAB-UHFFFAOYSA-N 1 1 404.474 4.178 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126239 860652700 /nfs/dbraw/zinc/65/27/00/860652700.db2.gz KRJKJXZZNCTNKC-NRFANRHFSA-N 1 1 407.905 4.165 20 30 HIEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435134424 860657409 /nfs/dbraw/zinc/65/74/09/860657409.db2.gz HQDRBQALUGXHME-UHFFFAOYSA-N 1 1 424.346 4.296 20 30 HIEDMO Cc1nc(SCC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(C#N)c(C)c1C ZINC000467762671 881578585 /nfs/dbraw/zinc/57/85/85/881578585.db2.gz OMBAZEQCJWSISX-UHFFFAOYSA-N 1 1 402.951 4.324 20 30 HIEDMO N#CCCCn1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000435578002 860895034 /nfs/dbraw/zinc/89/50/34/860895034.db2.gz WBHOCCPSKDKTIU-UHFFFAOYSA-N 1 1 400.526 4.123 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1cccs1 ZINC000437981816 863348941 /nfs/dbraw/zinc/34/89/41/863348941.db2.gz COMCZFIBYJHGGD-KDOFPFPSSA-N 1 1 420.485 4.426 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000438084293 863482291 /nfs/dbraw/zinc/48/22/91/863482291.db2.gz ZWBOGMOXKVVARR-FOVJLYNBSA-N 1 1 418.541 4.383 20 30 HIEDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+](C)C ZINC000438637125 864069722 /nfs/dbraw/zinc/06/97/22/864069722.db2.gz RPBZLKITHYPZFH-QGZVFWFLSA-N 1 1 406.408 4.010 20 30 HIEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000439360745 864801819 /nfs/dbraw/zinc/80/18/19/864801819.db2.gz QDKRZZBQHBLAKC-IBGZPJMESA-N 1 1 421.541 4.451 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378865 864810710 /nfs/dbraw/zinc/81/07/10/864810710.db2.gz OXYBKMAXHZWIRZ-VGOFRKELSA-N 1 1 421.545 4.035 20 30 HIEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378865 864810719 /nfs/dbraw/zinc/81/07/19/864810719.db2.gz OXYBKMAXHZWIRZ-VGOFRKELSA-N 1 1 421.545 4.035 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(Cl)c1 ZINC000439434075 864830118 /nfs/dbraw/zinc/83/01/18/864830118.db2.gz CPVMAEZDSGPMGG-UHFFFAOYSA-N 1 1 404.297 4.421 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556794 864882346 /nfs/dbraw/zinc/88/23/46/864882346.db2.gz HSDSVKQPNHJPHJ-YADHBBJMSA-N 1 1 418.585 4.343 20 30 HIEDMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556794 864882350 /nfs/dbraw/zinc/88/23/50/864882350.db2.gz HSDSVKQPNHJPHJ-YADHBBJMSA-N 1 1 418.585 4.343 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556792 864882530 /nfs/dbraw/zinc/88/25/30/864882530.db2.gz HSDSVKQPNHJPHJ-FGZHOGPDSA-N 1 1 418.585 4.343 20 30 HIEDMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556792 864882534 /nfs/dbraw/zinc/88/25/34/864882534.db2.gz HSDSVKQPNHJPHJ-FGZHOGPDSA-N 1 1 418.585 4.343 20 30 HIEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467976564 881830629 /nfs/dbraw/zinc/83/06/29/881830629.db2.gz DLMGSFCDMSOCMM-UHFFFAOYSA-N 1 1 412.544 4.051 20 30 HIEDMO N#Cc1ccc(CC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440439965 865741866 /nfs/dbraw/zinc/74/18/66/865741866.db2.gz LOUQKSRUOKQDSH-OAQYLSRUSA-N 1 1 415.459 4.014 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316237 866386988 /nfs/dbraw/zinc/38/69/88/866386988.db2.gz FBPZLSPJUBXXDR-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441316237 866387005 /nfs/dbraw/zinc/38/70/05/866387005.db2.gz FBPZLSPJUBXXDR-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](CCO)c1ccccc1 ZINC000441404817 866480390 /nfs/dbraw/zinc/48/03/90/866480390.db2.gz OGMBPFUUISXABQ-HXUWFJFHSA-N 1 1 411.571 4.273 20 30 HIEDMO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000441544673 866620544 /nfs/dbraw/zinc/62/05/44/866620544.db2.gz KMTPVPBTTDZPFK-GCJKJVERSA-N 1 1 401.514 4.266 20 30 HIEDMO Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000441623336 866724129 /nfs/dbraw/zinc/72/41/29/866724129.db2.gz UCPDVUUZZBVAJK-AOMIVXANSA-N 1 1 420.561 4.090 20 30 HIEDMO CC[C@H]1CCc2nc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000441930828 866994916 /nfs/dbraw/zinc/99/49/16/866994916.db2.gz UBZPDJGKTMDPBG-KRWDZBQOSA-N 1 1 423.586 4.269 20 30 HIEDMO CC[C@H]1CCc2nc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000441930828 866994934 /nfs/dbraw/zinc/99/49/34/866994934.db2.gz UBZPDJGKTMDPBG-KRWDZBQOSA-N 1 1 423.586 4.269 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442090661 867118272 /nfs/dbraw/zinc/11/82/72/867118272.db2.gz ZTUFXXDICNKRJE-UHFFFAOYSA-N 1 1 420.391 4.236 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800998 867679860 /nfs/dbraw/zinc/67/98/60/867679860.db2.gz LLQPMLPFJWQUJD-MRXNPFEDSA-N 1 1 415.419 4.008 20 30 HIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000442907188 867732833 /nfs/dbraw/zinc/73/28/33/867732833.db2.gz XFJSRKQNVRXSAU-IERDGZPVSA-N 1 1 409.331 4.264 20 30 HIEDMO CCCc1c(NC(=O)NCC[N@@H+](C)C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000443387282 867947286 /nfs/dbraw/zinc/94/72/86/867947286.db2.gz ZNZQDPZUZORQCT-UHFFFAOYSA-N 1 1 408.550 4.082 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000443660234 868265415 /nfs/dbraw/zinc/26/54/15/868265415.db2.gz QJRJXUMGCGVHHY-UHFFFAOYSA-N 1 1 422.532 4.274 20 30 HIEDMO N#CC(CC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666762 868946345 /nfs/dbraw/zinc/94/63/45/868946345.db2.gz RZNGQJTVZRZJMJ-OFVILXPXSA-N 1 1 413.565 4.362 20 30 HIEDMO CC(C)(C)NC(=O)N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444671824 868950848 /nfs/dbraw/zinc/95/08/48/868950848.db2.gz JYFUFBDJWYMUGX-UHFFFAOYSA-N 1 1 404.558 4.012 20 30 HIEDMO CCC[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1CCOC ZINC000444688472 868958653 /nfs/dbraw/zinc/95/86/53/868958653.db2.gz KCBODKUKMOWZIP-RUZDIDTESA-N 1 1 405.586 4.319 20 30 HIEDMO CCC[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CCOC ZINC000444688472 868958658 /nfs/dbraw/zinc/95/86/58/868958658.db2.gz KCBODKUKMOWZIP-RUZDIDTESA-N 1 1 405.586 4.319 20 30 HIEDMO CCC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1CCOC ZINC000444688472 868958664 /nfs/dbraw/zinc/95/86/64/868958664.db2.gz KCBODKUKMOWZIP-RUZDIDTESA-N 1 1 405.586 4.319 20 30 HIEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 ZINC000444772265 868994923 /nfs/dbraw/zinc/99/49/23/868994923.db2.gz NCADCISYSIRWGB-UHFFFAOYSA-N 1 1 403.313 4.016 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000445768843 869812506 /nfs/dbraw/zinc/81/25/06/869812506.db2.gz PVZKAEOTKINGLQ-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000445768843 869812513 /nfs/dbraw/zinc/81/25/13/869812513.db2.gz PVZKAEOTKINGLQ-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000447342516 871241554 /nfs/dbraw/zinc/24/15/54/871241554.db2.gz UNEXQSNPETYZKT-NYHFZMIOSA-N 1 1 417.525 4.374 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)c2ccccc2)c1 ZINC000448074465 871895928 /nfs/dbraw/zinc/89/59/28/871895928.db2.gz MZBSDQIYPBSMIY-HSZRJFAPSA-N 1 1 409.938 4.474 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cc1 ZINC000448225635 872138639 /nfs/dbraw/zinc/13/86/39/872138639.db2.gz OGCMCOVIKGPIIS-GHTZIAJQSA-N 1 1 421.570 4.086 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000448285032 872209657 /nfs/dbraw/zinc/20/96/57/872209657.db2.gz FODCSIMOSUZRPE-JOCHJYFZSA-N 1 1 405.542 4.235 20 30 HIEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448450853 872396465 /nfs/dbraw/zinc/39/64/65/872396465.db2.gz WGAYNWSWTCZFSS-HYBUGGRVSA-N 1 1 400.526 4.391 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460370910 873005697 /nfs/dbraw/zinc/00/56/97/873005697.db2.gz SBGQRSPTQZEAAV-REWPJTCUSA-N 1 1 416.573 4.406 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460379386 873018195 /nfs/dbraw/zinc/01/81/95/873018195.db2.gz HNSCHKFOZIDTLK-QUCCMNQESA-N 1 1 406.578 4.235 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460558943 873283024 /nfs/dbraw/zinc/28/30/24/873283024.db2.gz QLLDVHCLCXFTKY-MUGJNUQGSA-N 1 1 403.615 4.082 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460947708 873845907 /nfs/dbraw/zinc/84/59/07/873845907.db2.gz HQRBJKSCTDUNAN-BJLQDIEVSA-N 1 1 415.557 4.442 20 30 HIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468639416 882772274 /nfs/dbraw/zinc/77/22/74/882772274.db2.gz SLUJKSOEXYDWLH-AOYPEHQESA-N 1 1 417.553 4.386 20 30 HIEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccs1 ZINC000461504766 874580586 /nfs/dbraw/zinc/58/05/86/874580586.db2.gz AWBTYIJCCWYPOW-UHFFFAOYSA-N 1 1 420.586 4.095 20 30 HIEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCc2sccc2C1 ZINC000468798767 882864505 /nfs/dbraw/zinc/86/45/05/882864505.db2.gz CLQUMXUVUKHRBG-QGZVFWFLSA-N 1 1 406.555 4.183 20 30 HIEDMO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCc2sccc2C1 ZINC000468798767 882864507 /nfs/dbraw/zinc/86/45/07/882864507.db2.gz CLQUMXUVUKHRBG-QGZVFWFLSA-N 1 1 406.555 4.183 20 30 HIEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237500 875350951 /nfs/dbraw/zinc/35/09/51/875350951.db2.gz LODOMZQGYXRXRR-XXBNENTESA-N 1 1 413.525 4.252 20 30 HIEDMO CCc1nc(C[NH+]2CCC(CNc3c(C#N)cnc4c(C)cc(F)cc43)CC2)cs1 ZINC000462846052 875880344 /nfs/dbraw/zinc/88/03/44/875880344.db2.gz QPSQJGHRGFVSHF-UHFFFAOYSA-N 1 1 423.561 4.319 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000463030153 876048456 /nfs/dbraw/zinc/04/84/56/876048456.db2.gz RIQLDRXGFVOLIU-AREMUKBSSA-N 1 1 414.553 4.281 20 30 HIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000463057685 876087099 /nfs/dbraw/zinc/08/70/99/876087099.db2.gz RXYFNUSZGUJQGB-IBGZPJMESA-N 1 1 405.571 4.404 20 30 HIEDMO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189244 876247190 /nfs/dbraw/zinc/24/71/90/876247190.db2.gz KORFPUSSDCKOBH-MRXNPFEDSA-N 1 1 405.477 4.063 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463201301 876260057 /nfs/dbraw/zinc/26/00/57/876260057.db2.gz DMVJLHNUQFDQIP-JYRKZWEQSA-N 1 1 415.603 4.282 20 30 HIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203727 876263650 /nfs/dbraw/zinc/26/36/50/876263650.db2.gz QKFYPERLRLLBCP-MNAPGUCWSA-N 1 1 417.981 4.238 20 30 HIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000468947315 883013843 /nfs/dbraw/zinc/01/38/43/883013843.db2.gz JTHRKGGAYAOUNL-OLZOCXBDSA-N 1 1 402.292 4.007 20 30 HIEDMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456499 876517485 /nfs/dbraw/zinc/51/74/85/876517485.db2.gz RXXIYRSCELAHOE-QFIPXVFZSA-N 1 1 403.444 4.254 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469044490 883114782 /nfs/dbraw/zinc/11/47/82/883114782.db2.gz QKNPDRNKJAJPOW-UHFFFAOYSA-N 1 1 420.341 4.005 20 30 HIEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc1C ZINC000464812762 878064059 /nfs/dbraw/zinc/06/40/59/878064059.db2.gz WBZWZYRRYBVKDZ-ZDUSSCGKSA-N 1 1 402.589 4.475 20 30 HIEDMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822313 878076503 /nfs/dbraw/zinc/07/65/03/878076503.db2.gz LSBXVLMGZLVAPO-QFEZWQGWSA-N 1 1 406.526 4.240 20 30 HIEDMO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464822313 878076518 /nfs/dbraw/zinc/07/65/18/878076518.db2.gz LSBXVLMGZLVAPO-QFEZWQGWSA-N 1 1 406.526 4.240 20 30 HIEDMO C=CCc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909460 878225087 /nfs/dbraw/zinc/22/50/87/878225087.db2.gz XZILKQRUWGZQBI-IBGZPJMESA-N 1 1 408.542 4.169 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503355974 912330880 /nfs/dbraw/zinc/33/08/80/912330880.db2.gz LEPBODIJSHNNSD-QFIPXVFZSA-N 1 1 409.578 4.074 20 30 HIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000465157148 878539612 /nfs/dbraw/zinc/53/96/12/878539612.db2.gz NJKVSCIJJSZRER-NRFANRHFSA-N 1 1 420.557 4.431 20 30 HIEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000465253344 878679555 /nfs/dbraw/zinc/67/95/55/878679555.db2.gz LMRCJGMURVQSSK-HXUWFJFHSA-N 1 1 424.520 4.376 20 30 HIEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655565 879181215 /nfs/dbraw/zinc/18/12/15/879181215.db2.gz IIFJVNYIIQQXMQ-GOSISDBHSA-N 1 1 402.498 4.344 20 30 HIEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655565 879181228 /nfs/dbraw/zinc/18/12/28/879181228.db2.gz IIFJVNYIIQQXMQ-GOSISDBHSA-N 1 1 402.498 4.344 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465747206 879333181 /nfs/dbraw/zinc/33/31/81/879333181.db2.gz FQDPSPINXSUYCY-OYYPCOLYSA-N 1 1 402.542 4.303 20 30 HIEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000466089680 879808269 /nfs/dbraw/zinc/80/82/69/879808269.db2.gz WPNLVMHQGRFYIQ-HXUWFJFHSA-N 1 1 414.937 4.085 20 30 HIEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466606957 880376163 /nfs/dbraw/zinc/37/61/63/880376163.db2.gz KMWACVAQGRUPRZ-FPOVZHCZSA-N 1 1 421.545 4.281 20 30 HIEDMO CCC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466621886 880393497 /nfs/dbraw/zinc/39/34/97/880393497.db2.gz VUEHPLOQCYGXOH-OAQYLSRUSA-N 1 1 421.545 4.283 20 30 HIEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466984078 880793799 /nfs/dbraw/zinc/79/37/99/880793799.db2.gz LPZGGUKZQKQBDG-KRWDZBQOSA-N 1 1 415.459 4.415 20 30 HIEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000467210275 880939417 /nfs/dbraw/zinc/93/94/17/880939417.db2.gz CRPWMKHYYZOSMB-KURKYZTESA-N 1 1 414.619 4.163 20 30 HIEDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467281598 881027875 /nfs/dbraw/zinc/02/78/75/881027875.db2.gz WNDHMOJRZUOQHK-DLBZAZTESA-N 1 1 403.592 4.212 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469193069 883293466 /nfs/dbraw/zinc/29/34/66/883293466.db2.gz HKMBQXZHHYPTPJ-ICSRJNTNSA-N 1 1 409.555 4.310 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469193069 883293483 /nfs/dbraw/zinc/29/34/83/883293483.db2.gz HKMBQXZHHYPTPJ-ICSRJNTNSA-N 1 1 409.555 4.310 20 30 HIEDMO CC[C@H](C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736152 883893924 /nfs/dbraw/zinc/89/39/24/883893924.db2.gz WCQSFJKNKGINMC-DNVCBOLYSA-N 1 1 406.313 4.181 20 30 HIEDMO CC[C@H](C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736152 883893927 /nfs/dbraw/zinc/89/39/27/883893927.db2.gz WCQSFJKNKGINMC-DNVCBOLYSA-N 1 1 406.313 4.181 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000470413450 884816518 /nfs/dbraw/zinc/81/65/18/884816518.db2.gz FRVDPODVHLHITM-UHFFFAOYSA-N 1 1 402.498 4.332 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000503983127 912895885 /nfs/dbraw/zinc/89/58/85/912895885.db2.gz ZRDYFJLPPZPYEO-DEOSSOPVSA-N 1 1 415.468 4.011 20 30 HIEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000471156121 885707720 /nfs/dbraw/zinc/70/77/20/885707720.db2.gz JHAWKFPMLLEMFM-LJQANCHMSA-N 1 1 417.340 4.204 20 30 HIEDMO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000472239956 887047097 /nfs/dbraw/zinc/04/70/97/887047097.db2.gz JGGHBRPBRSAPQY-CVDCTZTESA-N 1 1 413.525 4.198 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2cccs2)c1C#N ZINC000472254065 887064934 /nfs/dbraw/zinc/06/49/34/887064934.db2.gz DHSYGQJLBBZMNL-UHFFFAOYSA-N 1 1 410.543 4.183 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000472263787 887076831 /nfs/dbraw/zinc/07/68/31/887076831.db2.gz WKAVQNORXJZOKU-GOSISDBHSA-N 1 1 420.513 4.345 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472410246 887258374 /nfs/dbraw/zinc/25/83/74/887258374.db2.gz NQEBCZJQRQNRHV-FCHUYYIVSA-N 1 1 413.587 4.125 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472410246 887258390 /nfs/dbraw/zinc/25/83/90/887258390.db2.gz NQEBCZJQRQNRHV-FCHUYYIVSA-N 1 1 413.587 4.125 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472410248 887258694 /nfs/dbraw/zinc/25/86/94/887258694.db2.gz NQEBCZJQRQNRHV-FGZHOGPDSA-N 1 1 413.587 4.125 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472410248 887258701 /nfs/dbraw/zinc/25/87/01/887258701.db2.gz NQEBCZJQRQNRHV-FGZHOGPDSA-N 1 1 413.587 4.125 20 30 HIEDMO C[C@H](CCC#N)[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472571795 887458283 /nfs/dbraw/zinc/45/82/83/887458283.db2.gz SAWBVSYJGMRYSJ-HUUCEWRRSA-N 1 1 407.440 4.126 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472925798 887772456 /nfs/dbraw/zinc/77/24/56/887772456.db2.gz CFPFEPMGAGKWCN-FQEVSTJZSA-N 1 1 412.361 4.029 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178541 887958283 /nfs/dbraw/zinc/95/82/83/887958283.db2.gz XROWCTYHCHELFE-XMMPIXPASA-N 1 1 421.566 4.349 20 30 HIEDMO N#Cc1ccc(SCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473511492 888241197 /nfs/dbraw/zinc/24/11/97/888241197.db2.gz WJBRYDJMAYYUSP-XMMPIXPASA-N 1 1 405.567 4.165 20 30 HIEDMO COc1ccc(CC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000504471056 913271452 /nfs/dbraw/zinc/27/14/52/913271452.db2.gz LVWDLLWYZMGWPE-UHFFFAOYSA-N 1 1 409.555 4.204 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474223307 889061971 /nfs/dbraw/zinc/06/19/71/889061971.db2.gz OOFICQWRLYOKMK-FPOVZHCZSA-N 1 1 422.598 4.226 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474686639 889549721 /nfs/dbraw/zinc/54/97/21/889549721.db2.gz WGZVCNITUQPWQJ-VNXZQDSDSA-N 1 1 421.516 4.168 20 30 HIEDMO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474686639 889549733 /nfs/dbraw/zinc/54/97/33/889549733.db2.gz WGZVCNITUQPWQJ-VNXZQDSDSA-N 1 1 421.516 4.168 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000512379319 921116424 /nfs/dbraw/zinc/11/64/24/921116424.db2.gz GLVZNWNUOYFPNS-UHFFFAOYSA-N 1 1 406.324 4.125 20 30 HIEDMO CN(C(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475303305 890213248 /nfs/dbraw/zinc/21/32/48/890213248.db2.gz HIVDYEAUNPQINH-JOCHJYFZSA-N 1 1 415.493 4.077 20 30 HIEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578323 890507551 /nfs/dbraw/zinc/50/75/51/890507551.db2.gz ABDMSFXPSMYLHW-VQIMIIECSA-N 1 1 417.962 4.058 20 30 HIEDMO N#Cc1csc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475630188 890571318 /nfs/dbraw/zinc/57/13/18/890571318.db2.gz YDHLEXWPPNSMRR-CQSZACIVSA-N 1 1 405.239 4.224 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000504742359 913481083 /nfs/dbraw/zinc/48/10/83/913481083.db2.gz PKTOONVQMGLJID-UHFFFAOYSA-N 1 1 403.526 4.226 20 30 HIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000476298627 891213106 /nfs/dbraw/zinc/21/31/06/891213106.db2.gz WGDKTMZMALZIOV-HXUWFJFHSA-N 1 1 411.933 4.302 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000504825128 913542097 /nfs/dbraw/zinc/54/20/97/913542097.db2.gz HMTREUPSKVFKIY-YADARESESA-N 1 1 400.526 4.020 20 30 HIEDMO N#CC[C@@H](CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428245 891341009 /nfs/dbraw/zinc/34/10/09/891341009.db2.gz NYEWVIRVMISBMY-GOTSBHOMSA-N 1 1 413.525 4.356 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000476597591 891532420 /nfs/dbraw/zinc/53/24/20/891532420.db2.gz NUUSTWMBEGBAMH-RZPHLTDDSA-N 1 1 403.526 4.177 20 30 HIEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000476762712 891735343 /nfs/dbraw/zinc/73/53/43/891735343.db2.gz DHQPWJTZYKHXQN-PELRDEGISA-N 1 1 412.578 4.058 20 30 HIEDMO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000477046632 891974951 /nfs/dbraw/zinc/97/49/51/891974951.db2.gz WEDNMTPZVFZVSB-HBGVWJBISA-N 1 1 409.521 4.018 20 30 HIEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC000477760980 892850164 /nfs/dbraw/zinc/85/01/64/892850164.db2.gz GYWIRKNIEHNXIW-NRFANRHFSA-N 1 1 406.530 4.169 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000479053190 894312618 /nfs/dbraw/zinc/31/26/18/894312618.db2.gz WFXINASVHWIZCK-SIKLNZKXSA-N 1 1 401.510 4.439 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)ccc1Cl ZINC000505208922 913884212 /nfs/dbraw/zinc/88/42/12/913884212.db2.gz GKGQBGIWAYOPMH-MRXNPFEDSA-N 1 1 402.951 4.231 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)ccc1Cl ZINC000505208922 913884218 /nfs/dbraw/zinc/88/42/18/913884218.db2.gz GKGQBGIWAYOPMH-MRXNPFEDSA-N 1 1 402.951 4.231 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000479663631 894937995 /nfs/dbraw/zinc/93/79/95/894937995.db2.gz ZREUQAWPJFJFKP-FQEVSTJZSA-N 1 1 410.587 4.477 20 30 HIEDMO CC(C)(CCC#N)CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000479663631 894938011 /nfs/dbraw/zinc/93/80/11/894938011.db2.gz ZREUQAWPJFJFKP-FQEVSTJZSA-N 1 1 410.587 4.477 20 30 HIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000480686870 896048888 /nfs/dbraw/zinc/04/88/88/896048888.db2.gz VULQXFGESYCOFU-NRFANRHFSA-N 1 1 416.541 4.326 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(Br)c1 ZINC000481084432 896404504 /nfs/dbraw/zinc/40/45/04/896404504.db2.gz BWKGBGLBUYAUSJ-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1)CC(F)(F)F ZINC000481118602 896444620 /nfs/dbraw/zinc/44/46/20/896444620.db2.gz PTXGGHPSFNTVLN-CQSZACIVSA-N 1 1 404.274 4.027 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 ZINC000481122768 896449021 /nfs/dbraw/zinc/44/90/21/896449021.db2.gz WNIQUCIDXVGIPM-UHFFFAOYSA-N 1 1 416.275 4.272 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174514 896508713 /nfs/dbraw/zinc/50/87/13/896508713.db2.gz HSIYBPWJQMOZHS-URXFXBBRSA-N 1 1 418.585 4.050 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(COC(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481590490 896969778 /nfs/dbraw/zinc/96/97/78/896969778.db2.gz FOMZLRLFJLMLGY-QHCPKHFHSA-N 1 1 402.485 4.413 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)c(F)c1 ZINC000481607035 896988098 /nfs/dbraw/zinc/98/80/98/896988098.db2.gz JYUWMXYMLPMKQS-FQEVSTJZSA-N 1 1 410.848 4.481 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccc(F)c(F)c1 ZINC000481624936 897009365 /nfs/dbraw/zinc/00/93/65/897009365.db2.gz OTEFFFQGNALNDS-QFIPXVFZSA-N 1 1 415.484 4.292 20 30 HIEDMO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2F)c1 ZINC000481652576 897037731 /nfs/dbraw/zinc/03/77/31/897037731.db2.gz CXCCYKALIIKEIP-RTWAWAEBSA-N 1 1 408.477 4.025 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000481926849 897310558 /nfs/dbraw/zinc/31/05/58/897310558.db2.gz WDDCDWVICGXGNK-RBBKRZOGSA-N 1 1 421.545 4.223 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(SCC#N)c3)CC[N@H+]2C2CC2)c1 ZINC000482790693 898398733 /nfs/dbraw/zinc/39/87/33/898398733.db2.gz HUNFDVDJKYKFKU-FGZHOGPDSA-N 1 1 407.539 4.019 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482981866 898618767 /nfs/dbraw/zinc/61/87/67/898618767.db2.gz LLMNYYZOSOJLEL-UONOGXRCSA-N 1 1 408.365 4.160 20 30 HIEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000482989960 898631838 /nfs/dbraw/zinc/63/18/38/898631838.db2.gz VQQKPBDAFODKMQ-RDPSFJRHSA-N 1 1 418.541 4.280 20 30 HIEDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[NH2+]2)cc1 ZINC000505572178 914278127 /nfs/dbraw/zinc/27/81/27/914278127.db2.gz HWIJBLWIGMHPKQ-QFIPXVFZSA-N 1 1 415.493 4.079 20 30 HIEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000505620610 914323110 /nfs/dbraw/zinc/32/31/10/914323110.db2.gz KRIMBCYFGSZDQS-RXVVDRJESA-N 1 1 411.571 4.005 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000505633562 914332286 /nfs/dbraw/zinc/33/22/86/914332286.db2.gz QYFFYPJQKAMMMZ-UHFFFAOYSA-N 1 1 400.482 4.120 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000483685799 899344596 /nfs/dbraw/zinc/34/45/96/899344596.db2.gz USPPNJSBDRCVOH-XMMPIXPASA-N 1 1 402.542 4.143 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCSC1 ZINC000484194312 899806764 /nfs/dbraw/zinc/80/67/64/899806764.db2.gz WYAACFDMVWWRLP-INIZCTEOSA-N 1 1 401.919 4.380 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCSC1 ZINC000484194312 899806769 /nfs/dbraw/zinc/80/67/69/899806769.db2.gz WYAACFDMVWWRLP-INIZCTEOSA-N 1 1 401.919 4.380 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2c(F)cccc2F)C2CC2)sc2c1CCC2 ZINC000484308852 899868725 /nfs/dbraw/zinc/86/87/25/899868725.db2.gz FTAFBYGAFGRRHK-UHFFFAOYSA-N 1 1 401.482 4.380 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2c(F)cccc2F)C2CC2)sc2c1CCC2 ZINC000484308852 899868736 /nfs/dbraw/zinc/86/87/36/899868736.db2.gz FTAFBYGAFGRRHK-UHFFFAOYSA-N 1 1 401.482 4.380 20 30 HIEDMO C=CCn1c(SC[C@@H]2CC[N@H+](C)C2)nc2scc(-c3cccs3)c2c1=O ZINC000484480096 899971561 /nfs/dbraw/zinc/97/15/61/899971561.db2.gz KQEKMWWXYXCJNZ-CYBMUJFWSA-N 1 1 403.598 4.416 20 30 HIEDMO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCCC1 ZINC000484492034 899984097 /nfs/dbraw/zinc/98/40/97/899984097.db2.gz UAPZPCRBMKPJTC-UHFFFAOYSA-N 1 1 410.312 4.364 20 30 HIEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000485196656 900489489 /nfs/dbraw/zinc/48/94/89/900489489.db2.gz YANFDSKTLOJCOT-CQSZACIVSA-N 1 1 401.894 4.078 20 30 HIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000485196656 900489495 /nfs/dbraw/zinc/48/94/95/900489495.db2.gz YANFDSKTLOJCOT-CQSZACIVSA-N 1 1 401.894 4.078 20 30 HIEDMO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000486628559 901761776 /nfs/dbraw/zinc/76/17/76/901761776.db2.gz VQXXTMUHTSITQM-UHFFFAOYSA-N 1 1 418.324 4.222 20 30 HIEDMO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000486628559 901761783 /nfs/dbraw/zinc/76/17/83/901761783.db2.gz VQXXTMUHTSITQM-UHFFFAOYSA-N 1 1 418.324 4.222 20 30 HIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000486889165 901934630 /nfs/dbraw/zinc/93/46/30/901934630.db2.gz VMVBTGYJGKRPTN-UHFFFAOYSA-N 1 1 407.461 4.375 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486943558 901980830 /nfs/dbraw/zinc/98/08/30/901980830.db2.gz VMCRXTRTJJQQLY-QHCPKHFHSA-N 1 1 406.530 4.250 20 30 HIEDMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC000487366967 902163103 /nfs/dbraw/zinc/16/31/03/902163103.db2.gz RNGBGCGHQAMNHU-UHFFFAOYSA-N 1 1 416.529 4.057 20 30 HIEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344706 902778422 /nfs/dbraw/zinc/77/84/22/902778422.db2.gz IDYOBLHDLUOZDT-SFHVURJKSA-N 1 1 420.513 4.068 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000488400443 902808729 /nfs/dbraw/zinc/80/87/29/902808729.db2.gz COBHJYHWGVBEEF-FGZHOGPDSA-N 1 1 411.571 4.432 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509067 902862979 /nfs/dbraw/zinc/86/29/79/902862979.db2.gz UUIVINCBGOAXMQ-GBXCKJPGSA-N 1 1 405.542 4.134 20 30 HIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408295 903371827 /nfs/dbraw/zinc/37/18/27/903371827.db2.gz VXBLVYVGCFPGNE-XXBNENTESA-N 1 1 405.542 4.499 20 30 HIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489740692 903569451 /nfs/dbraw/zinc/56/94/51/903569451.db2.gz LNOHZMBKNLBMDE-RUZDIDTESA-N 1 1 418.585 4.290 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)sc2c1CCCC2 ZINC000490042750 903737673 /nfs/dbraw/zinc/73/76/73/903737673.db2.gz OUWMLLLVZOPUQZ-GOSISDBHSA-N 1 1 408.571 4.404 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490370410 903962482 /nfs/dbraw/zinc/96/24/82/903962482.db2.gz NVAIHSNDYPFPEZ-UHFFFAOYSA-N 1 1 401.514 4.036 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490370410 903962496 /nfs/dbraw/zinc/96/24/96/903962496.db2.gz NVAIHSNDYPFPEZ-UHFFFAOYSA-N 1 1 401.514 4.036 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000506146978 914824616 /nfs/dbraw/zinc/82/46/16/914824616.db2.gz FGMUIDNWLOMTAN-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000506146978 914824617 /nfs/dbraw/zinc/82/46/17/914824617.db2.gz FGMUIDNWLOMTAN-INIZCTEOSA-N 1 1 417.456 4.064 20 30 HIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000492035507 904768686 /nfs/dbraw/zinc/76/86/86/904768686.db2.gz VZQPZNGCIAJGNJ-UHFFFAOYSA-N 1 1 401.514 4.110 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492421032 904847087 /nfs/dbraw/zinc/84/70/87/904847087.db2.gz GSAJWVIPOCOMIT-UHFFFAOYSA-N 1 1 424.492 4.456 20 30 HIEDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(C#N)ccc3Br)ccc2NC1=O ZINC000492609712 904876886 /nfs/dbraw/zinc/87/68/86/904876886.db2.gz VLVXBLMEURMIRR-XIKOKIGWSA-N 1 1 414.303 4.281 20 30 HIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812750 904910914 /nfs/dbraw/zinc/91/09/14/904910914.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812750 904910937 /nfs/dbraw/zinc/91/09/37/904910937.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 1 1 413.525 4.118 20 30 HIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812750 904910970 /nfs/dbraw/zinc/91/09/70/904910970.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 1 1 413.525 4.118 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)ccc1Cl ZINC000494247365 905574524 /nfs/dbraw/zinc/57/45/24/905574524.db2.gz JMMXCMJALGFLKK-UHFFFAOYSA-N 1 1 406.711 4.435 20 30 HIEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487521 921194846 /nfs/dbraw/zinc/19/48/46/921194846.db2.gz VSARCFMFBYZGLK-DLBZAZTESA-N 1 1 403.592 4.233 20 30 HIEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008247 906169211 /nfs/dbraw/zinc/16/92/11/906169211.db2.gz XCHURQNCMYBWKW-MOXWOTFGSA-N 1 1 424.589 4.009 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CO[C@@H](C)Cc3[nH]cc[nH+]3)sc2C1 ZINC000495250441 906338487 /nfs/dbraw/zinc/33/84/87/906338487.db2.gz BBSAZAFYYNHVET-LSDHHAIUSA-N 1 1 414.575 4.470 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H](C(F)(F)F)C1 ZINC000495379250 906416046 /nfs/dbraw/zinc/41/60/46/906416046.db2.gz DQYFCGTWGKYNLD-RTBURBONSA-N 1 1 405.464 4.083 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385588 906419890 /nfs/dbraw/zinc/41/98/90/906419890.db2.gz NDYQTIQOMDNGBC-INIZCTEOSA-N 1 1 405.420 4.352 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385588 906419897 /nfs/dbraw/zinc/41/98/97/906419897.db2.gz NDYQTIQOMDNGBC-INIZCTEOSA-N 1 1 405.420 4.352 20 30 HIEDMO C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674589 921283677 /nfs/dbraw/zinc/28/36/77/921283677.db2.gz XXYRWZLRWNJBIR-SFHVURJKSA-N 1 1 411.521 4.038 20 30 HIEDMO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674589 921283681 /nfs/dbraw/zinc/28/36/81/921283681.db2.gz XXYRWZLRWNJBIR-SFHVURJKSA-N 1 1 411.521 4.038 20 30 HIEDMO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512674589 921283685 /nfs/dbraw/zinc/28/36/85/921283685.db2.gz XXYRWZLRWNJBIR-SFHVURJKSA-N 1 1 411.521 4.038 20 30 HIEDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)Cc2ccccc21 ZINC000512686188 921287383 /nfs/dbraw/zinc/28/73/83/921287383.db2.gz GGUDAPZBTLYRRY-NRFANRHFSA-N 1 1 408.498 4.040 20 30 HIEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)Cc2ccccc21 ZINC000512686188 921287386 /nfs/dbraw/zinc/28/73/86/921287386.db2.gz GGUDAPZBTLYRRY-NRFANRHFSA-N 1 1 408.498 4.040 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620615 907099582 /nfs/dbraw/zinc/09/95/82/907099582.db2.gz ZYEBWQOXMKQKPQ-OAHLLOKOSA-N 1 1 405.420 4.156 20 30 HIEDMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637776 907122987 /nfs/dbraw/zinc/12/29/87/907122987.db2.gz WTVSLTJICRPNBC-FGCOXFRFSA-N 1 1 411.590 4.070 20 30 HIEDMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497637776 907123000 /nfs/dbraw/zinc/12/30/00/907123000.db2.gz WTVSLTJICRPNBC-FGCOXFRFSA-N 1 1 411.590 4.070 20 30 HIEDMO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C ZINC000512839100 921343178 /nfs/dbraw/zinc/34/31/78/921343178.db2.gz GCTMKRYLYGKJSX-GOSISDBHSA-N 1 1 409.505 4.035 20 30 HIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706266 908131119 /nfs/dbraw/zinc/13/11/19/908131119.db2.gz RAEPGWNOTDGEQU-NZQKXSOJSA-N 1 1 407.558 4.303 20 30 HIEDMO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1=O ZINC000499628227 908860391 /nfs/dbraw/zinc/86/03/91/908860391.db2.gz WMNPIULQJOQTNE-WFASDCNBSA-N 1 1 406.349 4.010 20 30 HIEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000500469203 909875962 /nfs/dbraw/zinc/87/59/62/909875962.db2.gz KNQCJVXUCBGHOL-GOSISDBHSA-N 1 1 405.267 4.494 20 30 HIEDMO COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1OCCCC#N ZINC000513088569 921539543 /nfs/dbraw/zinc/53/95/43/921539543.db2.gz ILGIHUWCICYSCX-QFIPXVFZSA-N 1 1 421.541 4.162 20 30 HIEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000501426614 910558381 /nfs/dbraw/zinc/55/83/81/910558381.db2.gz NNQOISPYLOIUNU-MRXNPFEDSA-N 1 1 411.246 4.088 20 30 HIEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000501426614 910558398 /nfs/dbraw/zinc/55/83/98/910558398.db2.gz NNQOISPYLOIUNU-MRXNPFEDSA-N 1 1 411.246 4.088 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000501448424 910574096 /nfs/dbraw/zinc/57/40/96/910574096.db2.gz HAWKPKLHOPULGC-QHCPKHFHSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000501448424 910574120 /nfs/dbraw/zinc/57/41/20/910574120.db2.gz HAWKPKLHOPULGC-QHCPKHFHSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000501448420 910574220 /nfs/dbraw/zinc/57/42/20/910574220.db2.gz HAWKPKLHOPULGC-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000501448420 910574241 /nfs/dbraw/zinc/57/42/41/910574241.db2.gz HAWKPKLHOPULGC-HSZRJFAPSA-N 1 1 421.541 4.404 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)cc1Cl ZINC000501493767 910607357 /nfs/dbraw/zinc/60/73/57/910607357.db2.gz CVORQFVUECIQMH-INIZCTEOSA-N 1 1 420.694 4.026 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501836866 910878081 /nfs/dbraw/zinc/87/80/81/910878081.db2.gz YNMSSTINLFKZDW-FPOVZHCZSA-N 1 1 401.599 4.205 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000502161764 911082845 /nfs/dbraw/zinc/08/28/45/911082845.db2.gz ARMRSHLGNLHGJD-XZOQPEGZSA-N 1 1 420.944 4.456 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000502161764 911082862 /nfs/dbraw/zinc/08/28/62/911082862.db2.gz ARMRSHLGNLHGJD-XZOQPEGZSA-N 1 1 420.944 4.456 20 30 HIEDMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 ZINC000502174701 911097457 /nfs/dbraw/zinc/09/74/57/911097457.db2.gz LZXRKFFCDZTJBF-QGZVFWFLSA-N 1 1 415.497 4.328 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)c1 ZINC000502184568 911115658 /nfs/dbraw/zinc/11/56/58/911115658.db2.gz FLDPMBZWFKAOMD-UHFFFAOYSA-N 1 1 416.550 4.456 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000502307933 911272885 /nfs/dbraw/zinc/27/28/85/911272885.db2.gz WBORNGZCAJKOFQ-FQEVSTJZSA-N 1 1 420.582 4.331 20 30 HIEDMO COc1sc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000506297293 914891823 /nfs/dbraw/zinc/89/18/23/914891823.db2.gz INMAALIEJVLPSQ-UHFFFAOYSA-N 1 1 420.376 4.099 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000506323357 914927587 /nfs/dbraw/zinc/92/75/87/914927587.db2.gz CXHANVKSRRCESG-JOCHJYFZSA-N 1 1 419.525 4.217 20 30 HIEDMO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000506323357 914927605 /nfs/dbraw/zinc/92/76/05/914927605.db2.gz CXHANVKSRRCESG-JOCHJYFZSA-N 1 1 419.525 4.217 20 30 HIEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000506358724 914981210 /nfs/dbraw/zinc/98/12/10/914981210.db2.gz ZWJBKGVBXXPRBE-AWEZNQCLSA-N 1 1 412.456 4.131 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475120 915075245 /nfs/dbraw/zinc/07/52/45/915075245.db2.gz SKIQGNDBFGQHFO-QHAWAJNXSA-N 1 1 414.569 4.047 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506477450 915079797 /nfs/dbraw/zinc/07/97/97/915079797.db2.gz BEBUMAHQDXIQSA-DHIUTWEWSA-N 1 1 410.606 4.137 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092139 /nfs/dbraw/zinc/09/21/39/915092139.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 1 1 414.619 4.023 20 30 HIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560546 915206999 /nfs/dbraw/zinc/20/69/99/915206999.db2.gz HGWPEKZGMBVDAW-PMACEKPBSA-N 1 1 416.997 4.173 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225921 915979577 /nfs/dbraw/zinc/97/95/77/915979577.db2.gz ACHKRCZPVAUWSK-GBXCKJPGSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225921 915979586 /nfs/dbraw/zinc/97/95/86/915979586.db2.gz ACHKRCZPVAUWSK-GBXCKJPGSA-N 1 1 405.542 4.184 20 30 HIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000507638350 916397688 /nfs/dbraw/zinc/39/76/88/916397688.db2.gz RZCQRMDUZJSPBB-INIZCTEOSA-N 1 1 405.502 4.050 20 30 HIEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508476354 917260772 /nfs/dbraw/zinc/26/07/72/917260772.db2.gz CNVQXQIDEHSUHP-GOTSBHOMSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508505717 917291214 /nfs/dbraw/zinc/29/12/14/917291214.db2.gz OAXXZDNBQHHOLG-WOJBJXKFSA-N 1 1 409.578 4.231 20 30 HIEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508507894 917292930 /nfs/dbraw/zinc/29/29/30/917292930.db2.gz VEAXLMRFWLQGBH-SFHVURJKSA-N 1 1 423.586 4.008 20 30 HIEDMO CCN(c1cc[nH+]c(NCc2cn(C)nc2-c2ccc(C#N)cc2)n1)C1CCCC1 ZINC000508516829 917302492 /nfs/dbraw/zinc/30/24/92/917302492.db2.gz SMZUOQFPACCTBH-UHFFFAOYSA-N 1 1 401.518 4.130 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508730270 917491812 /nfs/dbraw/zinc/49/18/12/917491812.db2.gz OCMUSCITJVVVMD-CVDCTZTESA-N 1 1 414.557 4.132 20 30 HIEDMO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508847746 917600482 /nfs/dbraw/zinc/60/04/82/917600482.db2.gz LJOMTGQUYRBXBV-UNMCSNQZSA-N 1 1 421.589 4.059 20 30 HIEDMO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508849589 917602344 /nfs/dbraw/zinc/60/23/44/917602344.db2.gz RALVQNIPVQXGQV-INIZCTEOSA-N 1 1 418.383 4.062 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508884045 917638040 /nfs/dbraw/zinc/63/80/40/917638040.db2.gz FHOBOAHSINEHQQ-NRFANRHFSA-N 1 1 419.548 4.152 20 30 HIEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508896942 917653155 /nfs/dbraw/zinc/65/31/55/917653155.db2.gz VLFBGDFGCKCJAQ-NRFANRHFSA-N 1 1 405.546 4.299 20 30 HIEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508936920 917693620 /nfs/dbraw/zinc/69/36/20/917693620.db2.gz APWYPIJBAVQJPK-SIKLNZKXSA-N 1 1 414.557 4.132 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000509138311 917865212 /nfs/dbraw/zinc/86/52/12/917865212.db2.gz MHQYJEAIDJWCJX-UHFFFAOYSA-N 1 1 410.525 4.048 20 30 HIEDMO C[C@H]1C[C@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510071918 918640818 /nfs/dbraw/zinc/64/08/18/918640818.db2.gz NFUKFCMGTDWRQY-UGKGYDQZSA-N 1 1 405.542 4.133 20 30 HIEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000510491372 918941014 /nfs/dbraw/zinc/94/10/14/918941014.db2.gz OJJKXIUAYTUZTA-HDICACEKSA-N 1 1 422.529 4.360 20 30 HIEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000510491372 918941023 /nfs/dbraw/zinc/94/10/23/918941023.db2.gz OJJKXIUAYTUZTA-HDICACEKSA-N 1 1 422.529 4.360 20 30 HIEDMO C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551202 918995395 /nfs/dbraw/zinc/99/53/95/918995395.db2.gz OOVPLPJPVOOYDW-AEFFLSMTSA-N 1 1 407.480 4.009 20 30 HIEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000510599020 919040833 /nfs/dbraw/zinc/04/08/33/919040833.db2.gz OYXQPNZKXLECPI-OALUTQOASA-N 1 1 409.530 4.182 20 30 HIEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934550 919456800 /nfs/dbraw/zinc/45/68/00/919456800.db2.gz FYQFHGHQOFIKIQ-ZWKOTPCHSA-N 1 1 419.529 4.052 20 30 HIEDMO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000510970333 919516595 /nfs/dbraw/zinc/51/65/95/919516595.db2.gz SFKNIOLKKQMGHF-UHFFFAOYSA-N 1 1 409.530 4.039 20 30 HIEDMO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510976351 919524485 /nfs/dbraw/zinc/52/44/85/919524485.db2.gz UEFXOIGKAONWTA-PKOBYXMFSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510976348 919524681 /nfs/dbraw/zinc/52/46/81/919524681.db2.gz UEFXOIGKAONWTA-MJGOQNOKSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511271844 919869418 /nfs/dbraw/zinc/86/94/18/919869418.db2.gz XGSPPENFJIBRJQ-HUUCEWRRSA-N 1 1 424.467 4.274 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511288714 919885561 /nfs/dbraw/zinc/88/55/61/919885561.db2.gz MEOUUENHIALZPQ-XMMPIXPASA-N 1 1 402.542 4.317 20 30 HIEDMO C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000511291873 919888195 /nfs/dbraw/zinc/88/81/95/919888195.db2.gz WJJVVFHOXQLXBE-SFHVURJKSA-N 1 1 404.514 4.104 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511328354 919918329 /nfs/dbraw/zinc/91/83/29/919918329.db2.gz RVVXOIPVYUJQSC-XMMPIXPASA-N 1 1 420.532 4.456 20 30 HIEDMO C[C@@](CO)([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(Br)cc1 ZINC000511541551 920165383 /nfs/dbraw/zinc/16/53/83/920165383.db2.gz LUNCCEUFDAJBTB-KRWDZBQOSA-N 1 1 424.136 4.081 20 30 HIEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000511661526 920327737 /nfs/dbraw/zinc/32/77/37/920327737.db2.gz DSAVFNQQDBFRIH-UHFFFAOYSA-N 1 1 414.933 4.262 20 30 HIEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000511661526 920327756 /nfs/dbraw/zinc/32/77/56/920327756.db2.gz DSAVFNQQDBFRIH-UHFFFAOYSA-N 1 1 414.933 4.262 20 30 HIEDMO N#Cc1ccc(CCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000511770524 920459024 /nfs/dbraw/zinc/45/90/24/920459024.db2.gz MKSMKQCCHHFZOZ-IZZNHLLZSA-N 1 1 409.533 4.275 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000511793310 920488227 /nfs/dbraw/zinc/48/82/27/920488227.db2.gz QBAWHXSEWWMTKC-UBFVSLLYSA-N 1 1 417.553 4.055 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000512215173 920963216 /nfs/dbraw/zinc/96/32/16/920963216.db2.gz ZABRDZUTJGKTLW-MRXNPFEDSA-N 1 1 412.342 4.195 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000512290587 921044677 /nfs/dbraw/zinc/04/46/77/921044677.db2.gz ZRGDLUXXHDMMQM-IMWIBFENSA-N 1 1 409.578 4.240 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000512347321 921093063 /nfs/dbraw/zinc/09/30/63/921093063.db2.gz OHZSPYRXGAOIMH-AVRDEDQJSA-N 1 1 423.582 4.391 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)ccc1OC ZINC000512364965 921106781 /nfs/dbraw/zinc/10/67/81/921106781.db2.gz PKAPGDTVUIWTAZ-UHFFFAOYSA-N 1 1 409.574 4.184 20 30 HIEDMO C=C(C)COc1cc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000512364965 921106790 /nfs/dbraw/zinc/10/67/90/921106790.db2.gz PKAPGDTVUIWTAZ-UHFFFAOYSA-N 1 1 409.574 4.184 20 30 HIEDMO N#CCCCOc1cccc(C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000514237529 922577182 /nfs/dbraw/zinc/57/71/82/922577182.db2.gz JSLLAOYXRVKVDX-HXUWFJFHSA-N 1 1 403.320 4.345 20 30 HIEDMO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000514831408 922818836 /nfs/dbraw/zinc/81/88/36/922818836.db2.gz NAFDWVYOAGALLL-PGRDOPGGSA-N 1 1 400.530 4.016 20 30 HIEDMO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000515217573 922999380 /nfs/dbraw/zinc/99/93/80/922999380.db2.gz PSEGCYOIHDNEBV-HXUWFJFHSA-N 1 1 417.538 4.002 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1Cl ZINC000515724081 923305034 /nfs/dbraw/zinc/30/50/34/923305034.db2.gz KTFBFQCUYXRPJT-FQEVSTJZSA-N 1 1 423.900 4.416 20 30 HIEDMO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000516196771 923592670 /nfs/dbraw/zinc/59/26/70/923592670.db2.gz JQCXIATWYNBHPB-IBGZPJMESA-N 1 1 420.561 4.344 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217532 923605744 /nfs/dbraw/zinc/60/57/44/923605744.db2.gz MNYDXVJNZUFURO-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217532 923605756 /nfs/dbraw/zinc/60/57/56/923605756.db2.gz MNYDXVJNZUFURO-KSFYIVLOSA-N 1 1 409.509 4.165 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000516879480 923920051 /nfs/dbraw/zinc/92/00/51/923920051.db2.gz AZNBGDHOILLYBL-HNNXBMFYSA-N 1 1 411.502 4.025 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000516879480 923920061 /nfs/dbraw/zinc/92/00/61/923920061.db2.gz AZNBGDHOILLYBL-HNNXBMFYSA-N 1 1 411.502 4.025 20 30 HIEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC000517580210 926692384 /nfs/dbraw/zinc/69/23/84/926692384.db2.gz IKBIOBFHKLMAAX-UHFFFAOYSA-N 1 1 409.433 4.031 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517817351 926849665 /nfs/dbraw/zinc/84/96/65/926849665.db2.gz NZOAOJFAAJFWKD-IBGZPJMESA-N 1 1 411.509 4.089 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(Br)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255108 927112718 /nfs/dbraw/zinc/11/27/18/927112718.db2.gz FXAHTZAGVKTBDA-AWEZNQCLSA-N 1 1 416.298 4.313 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000518292900 927151071 /nfs/dbraw/zinc/15/10/71/927151071.db2.gz KPLLJSKZSKZAGX-CQSZACIVSA-N 1 1 423.330 4.127 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753064 927477547 /nfs/dbraw/zinc/47/75/47/927477547.db2.gz FOMQVYQNJGHYPB-INIZCTEOSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753064 927477556 /nfs/dbraw/zinc/47/75/56/927477556.db2.gz FOMQVYQNJGHYPB-INIZCTEOSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753741 927477860 /nfs/dbraw/zinc/47/78/60/927477860.db2.gz ZXNRZBLLSKPDOZ-GOSISDBHSA-N 1 1 400.486 4.375 20 30 HIEDMO N#Cc1ccc(C(F)(F)F)nc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000518803301 927502479 /nfs/dbraw/zinc/50/24/79/927502479.db2.gz SLLKMZDSIHZHSU-KRWDZBQOSA-N 1 1 407.461 4.355 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518867228 927575592 /nfs/dbraw/zinc/57/55/92/927575592.db2.gz RJUUFZIXMFPYTF-WSTZPKSXSA-N 1 1 407.514 4.208 20 30 HIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059350 /nfs/dbraw/zinc/05/93/50/928059350.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 1 1 424.614 4.146 20 30 HIEDMO C=CCOc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000520030635 928253537 /nfs/dbraw/zinc/25/35/37/928253537.db2.gz MKPAMXZDBXLRIW-UHFFFAOYSA-N 1 1 407.514 4.237 20 30 HIEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000520940421 928883239 /nfs/dbraw/zinc/88/32/39/928883239.db2.gz QUTCTAQGYAARKK-QZTJIDSGSA-N 1 1 422.529 4.360 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895333 929876745 /nfs/dbraw/zinc/87/67/45/929876745.db2.gz VFLYAEDLGMSINB-HXUWFJFHSA-N 1 1 424.976 4.183 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525124132 930049698 /nfs/dbraw/zinc/04/96/98/930049698.db2.gz YRIWZFQJKXFOAX-ONTIZHBOSA-N 1 1 405.542 4.456 20 30 HIEDMO CCCc1c(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000527132474 930599038 /nfs/dbraw/zinc/59/90/38/930599038.db2.gz BRBVCOFJNNWSKL-QFIPXVFZSA-N 1 1 414.513 4.005 20 30 HIEDMO CCCc1c(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000527132474 930599044 /nfs/dbraw/zinc/59/90/44/930599044.db2.gz BRBVCOFJNNWSKL-QFIPXVFZSA-N 1 1 414.513 4.005 20 30 HIEDMO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000530960605 930868518 /nfs/dbraw/zinc/86/85/18/930868518.db2.gz MEWREPHILAXAIL-UHFFFAOYSA-N 1 1 420.410 4.456 20 30 HIEDMO CCN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000532409097 931425327 /nfs/dbraw/zinc/42/53/27/931425327.db2.gz WNUALMIBDAMCRP-SFHVURJKSA-N 1 1 409.505 4.150 20 30 HIEDMO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc2)c1 ZINC000532433620 931432075 /nfs/dbraw/zinc/43/20/75/931432075.db2.gz WQPMBAGVOHYULK-DHIUTWEWSA-N 1 1 420.513 4.115 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(C#N)cc1 ZINC000532476691 931453404 /nfs/dbraw/zinc/45/34/04/931453404.db2.gz IDVGXQMBATXHLS-UHFFFAOYSA-N 1 1 400.320 4.480 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(C#N)cc1 ZINC000532476691 931453406 /nfs/dbraw/zinc/45/34/06/931453406.db2.gz IDVGXQMBATXHLS-UHFFFAOYSA-N 1 1 400.320 4.480 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1ccccc1OC ZINC000532489269 931458329 /nfs/dbraw/zinc/45/83/29/931458329.db2.gz AUKXWTNTMJITAG-SFHVURJKSA-N 1 1 417.513 4.164 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1ccccc1OC ZINC000532489269 931458335 /nfs/dbraw/zinc/45/83/35/931458335.db2.gz AUKXWTNTMJITAG-SFHVURJKSA-N 1 1 417.513 4.164 20 30 HIEDMO CC(C)C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000532499213 931464169 /nfs/dbraw/zinc/46/41/69/931464169.db2.gz IABUUCSGVPMVOC-UHFFFAOYSA-N 1 1 404.539 4.439 20 30 HIEDMO CC(C)C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000532499213 931464170 /nfs/dbraw/zinc/46/41/70/931464170.db2.gz IABUUCSGVPMVOC-UHFFFAOYSA-N 1 1 404.539 4.439 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C3CCOCC3)sc2C1 ZINC000532587747 931544894 /nfs/dbraw/zinc/54/48/94/931544894.db2.gz URYJPVGVYPWDCF-OAHLLOKOSA-N 1 1 403.592 4.210 20 30 HIEDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000532755394 931623344 /nfs/dbraw/zinc/62/33/44/931623344.db2.gz WTESSPAUNZYXBF-FQEVSTJZSA-N 1 1 423.557 4.396 20 30 HIEDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000532755394 931623348 /nfs/dbraw/zinc/62/33/48/931623348.db2.gz WTESSPAUNZYXBF-FQEVSTJZSA-N 1 1 423.557 4.396 20 30 HIEDMO C[C@H](c1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000532891922 931682408 /nfs/dbraw/zinc/68/24/08/931682408.db2.gz RXENULMPXPUSLL-HXUWFJFHSA-N 1 1 415.541 4.469 20 30 HIEDMO COc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(OC)cc1Cl ZINC000532933534 931703058 /nfs/dbraw/zinc/70/30/58/931703058.db2.gz SDISZYNWTOBSGG-UHFFFAOYSA-N 1 1 415.921 4.326 20 30 HIEDMO C=CC1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000532965379 931716917 /nfs/dbraw/zinc/71/69/17/931716917.db2.gz RULIQEHBKONIFV-UHFFFAOYSA-N 1 1 407.514 4.174 20 30 HIEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000532988273 931728206 /nfs/dbraw/zinc/72/82/06/931728206.db2.gz SPGIJNILFJURLD-DYESRHJHSA-N 1 1 413.610 4.225 20 30 HIEDMO C[C@H](C#N)C[N@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138853 931780011 /nfs/dbraw/zinc/78/00/11/931780011.db2.gz YFXQCZCPCPQNFW-OPAMFIHVSA-N 1 1 400.469 4.056 20 30 HIEDMO C[C@H](C#N)C[N@@H+](C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000533138853 931780017 /nfs/dbraw/zinc/78/00/17/931780017.db2.gz YFXQCZCPCPQNFW-OPAMFIHVSA-N 1 1 400.469 4.056 20 30 HIEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000533234115 931815468 /nfs/dbraw/zinc/81/54/68/931815468.db2.gz QDFIJULELZMMLQ-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000533234115 931815469 /nfs/dbraw/zinc/81/54/69/931815469.db2.gz QDFIJULELZMMLQ-MRXNPFEDSA-N 1 1 417.456 4.064 20 30 HIEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000533250654 931819062 /nfs/dbraw/zinc/81/90/62/931819062.db2.gz FUGGBQYWCOTDIG-JOCHJYFZSA-N 1 1 421.541 4.150 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1C#N ZINC000533292843 931830595 /nfs/dbraw/zinc/83/05/95/931830595.db2.gz XXXPHPMXPQZVFZ-NRFANRHFSA-N 1 1 416.525 4.121 20 30 HIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364959 931848918 /nfs/dbraw/zinc/84/89/18/931848918.db2.gz PCNSGZZPHUNBPK-FUHWJXTLSA-N 1 1 414.937 4.159 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000533434995 931867991 /nfs/dbraw/zinc/86/79/91/931867991.db2.gz GPKQRYXAVXSQQH-UWJYYQICSA-N 1 1 416.525 4.434 20 30 HIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606853 931920963 /nfs/dbraw/zinc/92/09/63/931920963.db2.gz OIFDIOJUHKOIGE-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533606853 931920971 /nfs/dbraw/zinc/92/09/71/931920971.db2.gz OIFDIOJUHKOIGE-MGPUTAFESA-N 1 1 422.472 4.434 20 30 HIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000533763687 932018025 /nfs/dbraw/zinc/01/80/25/932018025.db2.gz PEPPDVWVVMUARI-UHFFFAOYSA-N 1 1 421.566 4.131 20 30 HIEDMO C=CC[N@H+](Cc1ncc(-c2ccccc2C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533816631 932045054 /nfs/dbraw/zinc/04/50/54/932045054.db2.gz XCGFRWAVMKATJG-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO C=CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533816631 932045060 /nfs/dbraw/zinc/04/50/60/932045060.db2.gz XCGFRWAVMKATJG-SFHVURJKSA-N 1 1 400.486 4.375 20 30 HIEDMO C=C[C@@H](CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000533957672 932132354 /nfs/dbraw/zinc/13/23/54/932132354.db2.gz BBMGRHQTXTTXGF-FQEVSTJZSA-N 1 1 403.526 4.272 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222186 932341933 /nfs/dbraw/zinc/34/19/33/932341933.db2.gz RFLOOKWBLHLXGX-IERDGZPVSA-N 1 1 417.937 4.252 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753514 932730337 /nfs/dbraw/zinc/73/03/37/932730337.db2.gz KWAHKNWNKBMYJC-DQEYMECFSA-N 1 1 411.505 4.312 20 30 HIEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535281368 933047869 /nfs/dbraw/zinc/04/78/69/933047869.db2.gz LHQZRXUPRHCKGS-QFIPXVFZSA-N 1 1 401.441 4.406 20 30 HIEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535281368 933047874 /nfs/dbraw/zinc/04/78/74/933047874.db2.gz LHQZRXUPRHCKGS-QFIPXVFZSA-N 1 1 401.441 4.406 20 30 HIEDMO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1OCCCC#N ZINC000535848509 933429846 /nfs/dbraw/zinc/42/98/46/933429846.db2.gz DOBMHUMDBPLOJB-UHFFFAOYSA-N 1 1 406.324 4.111 20 30 HIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1OCCCC#N ZINC000535848509 933429855 /nfs/dbraw/zinc/42/98/55/933429855.db2.gz DOBMHUMDBPLOJB-UHFFFAOYSA-N 1 1 406.324 4.111 20 30 HIEDMO C=CCOc1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000536033681 933583157 /nfs/dbraw/zinc/58/31/57/933583157.db2.gz AAAUZENLDWNQCK-OAQYLSRUSA-N 1 1 424.541 4.092 20 30 HIEDMO C=C[C@@H](CC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000536119977 933669788 /nfs/dbraw/zinc/66/97/88/933669788.db2.gz TZIIKDOHCCJFME-NRFANRHFSA-N 1 1 421.585 4.490 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562584995 945104245 /nfs/dbraw/zinc/10/42/45/945104245.db2.gz MGMSQRRGBKMCHR-UHFFFAOYSA-N 1 1 413.591 4.370 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000562860333 945129537 /nfs/dbraw/zinc/12/95/37/945129537.db2.gz KWVWLEIHYJAVBH-UHFFFAOYSA-N 1 1 413.521 4.215 20 30 HIEDMO C=CC[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1)C1CC1 ZINC000537855325 938391054 /nfs/dbraw/zinc/39/10/54/938391054.db2.gz UJUSZXJXRMNWBD-QFIPXVFZSA-N 1 1 403.526 4.075 20 30 HIEDMO C=CC[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1)C1CC1 ZINC000537855325 938391057 /nfs/dbraw/zinc/39/10/57/938391057.db2.gz UJUSZXJXRMNWBD-QFIPXVFZSA-N 1 1 403.526 4.075 20 30 HIEDMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000537854925 938391085 /nfs/dbraw/zinc/39/10/85/938391085.db2.gz MHTFWGWBRALMSP-UHFFFAOYSA-N 1 1 415.541 4.182 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)c(F)c1 ZINC000538223805 938563384 /nfs/dbraw/zinc/56/33/84/938563384.db2.gz VYASLXHQZWFWKG-IFXJQAMLSA-N 1 1 419.497 4.275 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 ZINC000538276928 938581579 /nfs/dbraw/zinc/58/15/79/938581579.db2.gz NBAVYVSOLBQOHH-KXBFYZLASA-N 1 1 401.507 4.136 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600927 938659041 /nfs/dbraw/zinc/65/90/41/938659041.db2.gz LSLZUSOMYLIHPJ-SIKLNZKXSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600927 938659042 /nfs/dbraw/zinc/65/90/42/938659042.db2.gz LSLZUSOMYLIHPJ-SIKLNZKXSA-N 1 1 415.896 4.070 20 30 HIEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000538717100 938688895 /nfs/dbraw/zinc/68/88/95/938688895.db2.gz CLFVGIZKMLINPI-UHFFFAOYSA-N 1 1 404.413 4.331 20 30 HIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000538717100 938688896 /nfs/dbraw/zinc/68/88/96/938688896.db2.gz CLFVGIZKMLINPI-UHFFFAOYSA-N 1 1 404.413 4.331 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(CC)(CO)CC2)cc1OCC ZINC000538717154 938689079 /nfs/dbraw/zinc/68/90/79/938689079.db2.gz HHOIZPQGQOVWLF-UHFFFAOYSA-N 1 1 412.368 4.397 20 30 HIEDMO C=CCOc1ccccc1C[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000538812892 938719384 /nfs/dbraw/zinc/71/93/84/938719384.db2.gz NLUBNYDNJBMWFV-SFHVURJKSA-N 1 1 401.576 4.123 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@H](C)[C@H]3C)sc2C1 ZINC000538946100 938743850 /nfs/dbraw/zinc/74/38/50/938743850.db2.gz LWJWLTKOCOAERB-BRWVUGGUSA-N 1 1 416.635 4.124 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@H+](CC)[C@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000538967848 938754275 /nfs/dbraw/zinc/75/42/75/938754275.db2.gz FRPRSUOSOROSQF-CQSZACIVSA-N 1 1 423.542 4.213 20 30 HIEDMO CCOC(=O)c1sc2nc(C[N@@H+](CC)[C@H](C)c3ccc(C#N)cc3)nc(N)c2c1C ZINC000538967848 938754276 /nfs/dbraw/zinc/75/42/76/938754276.db2.gz FRPRSUOSOROSQF-CQSZACIVSA-N 1 1 423.542 4.213 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000539119019 938805496 /nfs/dbraw/zinc/80/54/96/938805496.db2.gz FKWZVTKUGCIMCT-UHFFFAOYSA-N 1 1 412.965 4.087 20 30 HIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000539119019 938805497 /nfs/dbraw/zinc/80/54/97/938805497.db2.gz FKWZVTKUGCIMCT-UHFFFAOYSA-N 1 1 412.965 4.087 20 30 HIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000539270190 938830678 /nfs/dbraw/zinc/83/06/78/938830678.db2.gz HWJQTUVTWNHLGW-CABCVRRESA-N 1 1 401.507 4.375 20 30 HIEDMO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942198 /nfs/dbraw/zinc/94/21/98/938942198.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 1 1 411.384 4.327 20 30 HIEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827751 938949199 /nfs/dbraw/zinc/94/91/99/938949199.db2.gz XRMAPBWIFCXYOA-VWLOTQADSA-N 1 1 402.494 4.311 20 30 HIEDMO C=CCN(C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000540127779 939082933 /nfs/dbraw/zinc/08/29/33/939082933.db2.gz PAFNXYYQCUPBHN-UHFFFAOYSA-N 1 1 421.541 4.444 20 30 HIEDMO C=CCN(C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000540127779 939082935 /nfs/dbraw/zinc/08/29/35/939082935.db2.gz PAFNXYYQCUPBHN-UHFFFAOYSA-N 1 1 421.541 4.444 20 30 HIEDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541158462 939480703 /nfs/dbraw/zinc/48/07/03/939480703.db2.gz DCYTXUKITHHBBA-HXUWFJFHSA-N 1 1 420.557 4.038 20 30 HIEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588978 939561319 /nfs/dbraw/zinc/56/13/19/939561319.db2.gz SMMMVBOTDIQWLD-IBGZPJMESA-N 1 1 419.485 4.078 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700969 939608730 /nfs/dbraw/zinc/60/87/30/939608730.db2.gz BACRHHMWTZXVKQ-ICSRJNTNSA-N 1 1 401.869 4.141 20 30 HIEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000542309301 939794314 /nfs/dbraw/zinc/79/43/14/939794314.db2.gz NCSXAXNHKZUWGT-AWEZNQCLSA-N 1 1 402.589 4.409 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000542410482 939816556 /nfs/dbraw/zinc/81/65/56/939816556.db2.gz OSWISUATWFTYQH-FCHUYYIVSA-N 1 1 408.933 4.331 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000542410482 939816558 /nfs/dbraw/zinc/81/65/58/939816558.db2.gz OSWISUATWFTYQH-FCHUYYIVSA-N 1 1 408.933 4.331 20 30 HIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543023398 939897258 /nfs/dbraw/zinc/89/72/58/939897258.db2.gz GHBTZVBPJJCFRL-HKUYNNGSSA-N 1 1 400.885 4.090 20 30 HIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543023398 939897261 /nfs/dbraw/zinc/89/72/61/939897261.db2.gz GHBTZVBPJJCFRL-HKUYNNGSSA-N 1 1 400.885 4.090 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756894 945286004 /nfs/dbraw/zinc/28/60/04/945286004.db2.gz YMINAFSRLLJYEY-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756894 945286012 /nfs/dbraw/zinc/28/60/12/945286012.db2.gz YMINAFSRLLJYEY-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756894 945286020 /nfs/dbraw/zinc/28/60/20/945286020.db2.gz YMINAFSRLLJYEY-SFHVURJKSA-N 1 1 410.949 4.137 20 30 HIEDMO C[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000543171894 939984444 /nfs/dbraw/zinc/98/44/44/939984444.db2.gz KHQNDHWBBNSEER-HNNXBMFYSA-N 1 1 417.431 4.299 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000543171894 939984452 /nfs/dbraw/zinc/98/44/52/939984452.db2.gz KHQNDHWBBNSEER-HNNXBMFYSA-N 1 1 417.431 4.299 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C2CC2)cc1 ZINC000543174602 939985452 /nfs/dbraw/zinc/98/54/52/939985452.db2.gz OMTHMHKMUUEZLS-UHFFFAOYSA-N 1 1 410.521 4.320 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C2CC2)cc1 ZINC000543174602 939985455 /nfs/dbraw/zinc/98/54/55/939985455.db2.gz OMTHMHKMUUEZLS-UHFFFAOYSA-N 1 1 410.521 4.320 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459548 940069293 /nfs/dbraw/zinc/06/92/93/940069293.db2.gz VYNCXFWGTRKMER-FKBYEOEOSA-N 1 1 410.606 4.181 20 30 HIEDMO C[C@@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000543619223 940135194 /nfs/dbraw/zinc/13/51/94/940135194.db2.gz HSYOAXCWKACSCX-SFHVURJKSA-N 1 1 402.498 4.009 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1OC ZINC000543764690 940178932 /nfs/dbraw/zinc/17/89/32/940178932.db2.gz XZCLEHVSQLXFTQ-SFHVURJKSA-N 1 1 406.320 4.236 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1)C(C)C ZINC000543859671 940213046 /nfs/dbraw/zinc/21/30/46/940213046.db2.gz RBWMCKPVDYLBJJ-UHFFFAOYSA-N 1 1 405.477 4.366 20 30 HIEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889383 940228228 /nfs/dbraw/zinc/22/82/28/940228228.db2.gz VDHBZSPJPBESJE-INIZCTEOSA-N 1 1 414.941 4.173 20 30 HIEDMO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000563816892 945305919 /nfs/dbraw/zinc/30/59/19/945305919.db2.gz WCRPJDCMUASFLJ-VQIMIIECSA-N 1 1 409.408 4.246 20 30 HIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)s1 ZINC000544422459 940421389 /nfs/dbraw/zinc/42/13/89/940421389.db2.gz UWDOUDJJXQXYJV-YJYMSZOUSA-N 1 1 400.573 4.383 20 30 HIEDMO C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425118 940423944 /nfs/dbraw/zinc/42/39/44/940423944.db2.gz OLBUTHPDGLFMLO-IRXDYDNUSA-N 1 1 414.619 4.070 20 30 HIEDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000546570920 940855521 /nfs/dbraw/zinc/85/55/21/940855521.db2.gz CPTWLIGRXABLPN-UHFFFAOYSA-N 1 1 404.514 4.105 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546708201 940871536 /nfs/dbraw/zinc/87/15/36/940871536.db2.gz XIDXIRRHCLIZTI-YWZLYKJASA-N 1 1 416.884 4.174 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000548402668 941100038 /nfs/dbraw/zinc/10/00/38/941100038.db2.gz FMIHZBCRRCUXRC-JKSUJKDBSA-N 1 1 411.456 4.417 20 30 HIEDMO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932109 941130618 /nfs/dbraw/zinc/13/06/18/941130618.db2.gz QTXCSJUOTSTZDO-UGIARPQZSA-N 1 1 424.548 4.143 20 30 HIEDMO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932109 941130619 /nfs/dbraw/zinc/13/06/19/941130619.db2.gz QTXCSJUOTSTZDO-UGIARPQZSA-N 1 1 424.548 4.143 20 30 HIEDMO COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2CCC2)c(OC)c1 ZINC000548932104 941130663 /nfs/dbraw/zinc/13/06/63/941130663.db2.gz QHEFJHXVWJRUFW-UHFFFAOYSA-N 1 1 418.497 4.428 20 30 HIEDMO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2CCC2)c(OC)c1 ZINC000548932104 941130666 /nfs/dbraw/zinc/13/06/66/941130666.db2.gz QHEFJHXVWJRUFW-UHFFFAOYSA-N 1 1 418.497 4.428 20 30 HIEDMO Cc1cc(Cl)c2ncc(C#N)c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000548987755 941139212 /nfs/dbraw/zinc/13/92/12/941139212.db2.gz UUWXFXUCVMSXRY-IBGZPJMESA-N 1 1 406.917 4.247 20 30 HIEDMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000549162666 941167417 /nfs/dbraw/zinc/16/74/17/941167417.db2.gz HYYALVSZLRRPSV-HXUWFJFHSA-N 1 1 414.557 4.034 20 30 HIEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000549252279 941174308 /nfs/dbraw/zinc/17/43/08/941174308.db2.gz CHGWSLYBBVGWBC-UHFFFAOYSA-N 1 1 404.562 4.198 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549684610 941204404 /nfs/dbraw/zinc/20/44/04/941204404.db2.gz ZZDDUJKODDLWSC-GGAORHGYSA-N 1 1 421.589 4.024 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549685415 941204454 /nfs/dbraw/zinc/20/44/54/941204454.db2.gz KKCZBSWBRIOFAJ-RBUKOAKNSA-N 1 1 415.557 4.301 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000549689878 941204671 /nfs/dbraw/zinc/20/46/71/941204671.db2.gz ARBDQKSZPRTPCQ-UHFFFAOYSA-N 1 1 416.573 4.265 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549691036 941204682 /nfs/dbraw/zinc/20/46/82/941204682.db2.gz SHEAYVWEDLGGPU-JOCHJYFZSA-N 1 1 416.573 4.183 20 30 HIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)Cc1ccc(OC)cc1 ZINC000550702561 941356204 /nfs/dbraw/zinc/35/62/04/941356204.db2.gz UVKVEKVYINCDDP-XMMPIXPASA-N 1 1 408.542 4.446 20 30 HIEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)Cc1ccc(OC)cc1 ZINC000550702561 941356205 /nfs/dbraw/zinc/35/62/05/941356205.db2.gz UVKVEKVYINCDDP-XMMPIXPASA-N 1 1 408.542 4.446 20 30 HIEDMO N#Cc1cnn2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(Br)cc3)cnc12 ZINC000550847103 941374032 /nfs/dbraw/zinc/37/40/32/941374032.db2.gz NSFKTEJQLWVDIO-FQEVSTJZSA-N 1 1 418.298 4.243 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000551672509 941524020 /nfs/dbraw/zinc/52/40/20/941524020.db2.gz AUAJKPZUHYQGKS-KRWDZBQOSA-N 1 1 413.827 4.468 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000551672509 941524023 /nfs/dbraw/zinc/52/40/23/941524023.db2.gz AUAJKPZUHYQGKS-KRWDZBQOSA-N 1 1 413.827 4.468 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000552200042 941601234 /nfs/dbraw/zinc/60/12/34/941601234.db2.gz SFUURTBESGXAAQ-OAQYLSRUSA-N 1 1 413.477 4.169 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000552290070 941623570 /nfs/dbraw/zinc/62/35/70/941623570.db2.gz XENVQUFRTCFKSE-BGYRXZFFSA-N 1 1 404.558 4.248 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1OC ZINC000552407788 941660537 /nfs/dbraw/zinc/66/05/37/941660537.db2.gz DWEJWVWBJJGDOO-FQEVSTJZSA-N 1 1 412.368 4.253 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1OC ZINC000552407788 941660540 /nfs/dbraw/zinc/66/05/40/941660540.db2.gz DWEJWVWBJJGDOO-FQEVSTJZSA-N 1 1 412.368 4.253 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000552429415 941669199 /nfs/dbraw/zinc/66/91/99/941669199.db2.gz BZMQXQWXKSIKJF-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000552429415 941669210 /nfs/dbraw/zinc/66/92/10/941669210.db2.gz BZMQXQWXKSIKJF-WOJBJXKFSA-N 1 1 403.860 4.444 20 30 HIEDMO CCC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000552828223 941780058 /nfs/dbraw/zinc/78/00/58/941780058.db2.gz KRTDTYRICUSSSF-UHFFFAOYSA-N 1 1 401.514 4.212 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000552828223 941780067 /nfs/dbraw/zinc/78/00/67/941780067.db2.gz KRTDTYRICUSSSF-UHFFFAOYSA-N 1 1 401.514 4.212 20 30 HIEDMO C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@H+](C2CCC2)C1 ZINC000553518488 941901323 /nfs/dbraw/zinc/90/13/23/941901323.db2.gz FKDMGNDICNMNTJ-LJQANCHMSA-N 1 1 403.526 4.084 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000554253618 942079771 /nfs/dbraw/zinc/07/97/71/942079771.db2.gz MAPJFAULSAVDCS-SNVBAGLBSA-N 1 1 418.328 4.264 20 30 HIEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000554253618 942079777 /nfs/dbraw/zinc/07/97/77/942079777.db2.gz MAPJFAULSAVDCS-SNVBAGLBSA-N 1 1 418.328 4.264 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Oc3ccncc3C)CC2)c1 ZINC000554968173 942337268 /nfs/dbraw/zinc/33/72/68/942337268.db2.gz NHPZRNDLJMCUEI-NRFANRHFSA-N 1 1 420.557 4.185 20 30 HIEDMO CC(C)c1ccc(OC2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000555516182 942618951 /nfs/dbraw/zinc/61/89/51/942618951.db2.gz QAFWZHGIJRRRJI-DEOSSOPVSA-N 1 1 403.526 4.330 20 30 HIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)C2=O)cc1 ZINC000556093867 942804635 /nfs/dbraw/zinc/80/46/35/942804635.db2.gz PDNHJXPGVXBXCV-MOPGFXCFSA-N 1 1 405.395 4.476 20 30 HIEDMO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556341310 942845935 /nfs/dbraw/zinc/84/59/35/942845935.db2.gz NXCWWMQULNGNKM-FQEVSTJZSA-N 1 1 421.928 4.126 20 30 HIEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927030 942969331 /nfs/dbraw/zinc/96/93/31/942969331.db2.gz KURPGNNEJZPALT-QGZVFWFLSA-N 1 1 424.854 4.438 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556954530 942978513 /nfs/dbraw/zinc/97/85/13/942978513.db2.gz BEKJQVINVXSMDD-KUHUBIRLSA-N 1 1 406.288 4.427 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000558476058 943569342 /nfs/dbraw/zinc/56/93/42/943569342.db2.gz JHGPETGRMIYNJU-FQELHTAISA-N 1 1 413.587 4.107 20 30 HIEDMO CN(C)c1noc([C@@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742963 943637403 /nfs/dbraw/zinc/63/74/03/943637403.db2.gz QQCZWXQCOYKIKS-HXUWFJFHSA-N 1 1 415.541 4.215 20 30 HIEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C1 ZINC000560551959 944250997 /nfs/dbraw/zinc/25/09/97/944250997.db2.gz UGSOYSPEVMYKRL-KRWDZBQOSA-N 1 1 409.505 4.334 20 30 HIEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579326 944261128 /nfs/dbraw/zinc/26/11/28/944261128.db2.gz GHYNVJDSOMCXBI-URXFXBBRSA-N 1 1 417.528 4.242 20 30 HIEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000560617761 944275825 /nfs/dbraw/zinc/27/58/25/944275825.db2.gz PWFQUROCIXKRKZ-GOSISDBHSA-N 1 1 423.467 4.024 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)cc1 ZINC000560976883 944382859 /nfs/dbraw/zinc/38/28/59/944382859.db2.gz XCZHQDCZAAVMFX-UHFFFAOYSA-N 1 1 414.594 4.214 20 30 HIEDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000561060233 944421103 /nfs/dbraw/zinc/42/11/03/944421103.db2.gz KSQAENDRQHMQNY-SFHVURJKSA-N 1 1 408.521 4.210 20 30 HIEDMO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000561077480 944432515 /nfs/dbraw/zinc/43/25/15/944432515.db2.gz WOCKJKVOOYGHOH-VWLOTQADSA-N 1 1 410.521 4.260 20 30 HIEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000561085341 944438667 /nfs/dbraw/zinc/43/86/67/944438667.db2.gz SOUYZGQNMBCJEJ-ZJSXRUAMSA-N 1 1 417.509 4.202 20 30 HIEDMO C[NH+](C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1 ZINC000561308975 944545720 /nfs/dbraw/zinc/54/57/20/944545720.db2.gz NKXCZDJLCTUTLN-OAQYLSRUSA-N 1 1 415.896 4.023 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000561951844 944872060 /nfs/dbraw/zinc/87/20/60/944872060.db2.gz ZIMIWXSLHOAOHH-SFTDATJTSA-N 1 1 409.555 4.419 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000561951844 944872066 /nfs/dbraw/zinc/87/20/66/944872066.db2.gz ZIMIWXSLHOAOHH-SFTDATJTSA-N 1 1 409.555 4.419 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000561951842 944872251 /nfs/dbraw/zinc/87/22/51/944872251.db2.gz ZIMIWXSLHOAOHH-RTWAWAEBSA-N 1 1 409.555 4.419 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000561951842 944872252 /nfs/dbraw/zinc/87/22/52/944872252.db2.gz ZIMIWXSLHOAOHH-RTWAWAEBSA-N 1 1 409.555 4.419 20 30 HIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000562243305 945039318 /nfs/dbraw/zinc/03/93/18/945039318.db2.gz PVOOMTMXEFVNPE-SFHVURJKSA-N 1 1 423.582 4.400 20 30 HIEDMO COc1ccc(OC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)cc1 ZINC000562337765 945061887 /nfs/dbraw/zinc/06/18/87/945061887.db2.gz KXJJCKLJVYIYTC-UHFFFAOYSA-N 1 1 401.304 4.373 20 30 HIEDMO C[C@@H](c1cccc(NCc2ccc(Br)cc2C#N)c1)[NH+]1CCOCC1 ZINC000564199991 945431132 /nfs/dbraw/zinc/43/11/32/945431132.db2.gz BROADXICWFBZAX-HNNXBMFYSA-N 1 1 400.320 4.326 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564603272 945700172 /nfs/dbraw/zinc/70/01/72/945700172.db2.gz HUAFQMJMMPFSAH-JOCHJYFZSA-N 1 1 405.542 4.134 20 30 HIEDMO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000565430325 945828101 /nfs/dbraw/zinc/82/81/01/945828101.db2.gz BVKMCOYCXTWKOM-UHFFFAOYSA-N 1 1 419.520 4.289 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000565612732 945854492 /nfs/dbraw/zinc/85/44/92/945854492.db2.gz NNBAZTLBUVDBAI-DNVCBOLYSA-N 1 1 416.447 4.097 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566374210 946013002 /nfs/dbraw/zinc/01/30/02/946013002.db2.gz UMUBVEZORNRPAI-BLKABHOGSA-N 1 1 409.578 4.051 20 30 HIEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1Cl ZINC000570087646 947090004 /nfs/dbraw/zinc/09/00/04/947090004.db2.gz TXIOEHOOXVHAMU-UHFFFAOYSA-N 1 1 412.852 4.310 20 30 HIEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000570509388 947272340 /nfs/dbraw/zinc/27/23/40/947272340.db2.gz HOZMATVWXDEPQM-UHFFFAOYSA-N 1 1 413.344 4.253 20 30 HIEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000570865275 947374998 /nfs/dbraw/zinc/37/49/98/947374998.db2.gz YJQUCENUFFWTHH-HNNXBMFYSA-N 1 1 421.385 4.200 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000571898910 947808189 /nfs/dbraw/zinc/80/81/89/947808189.db2.gz UPYKEMRPOSXSCP-JOCHJYFZSA-N 1 1 402.546 4.017 20 30 HIEDMO CCCc1c(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000572445312 947909767 /nfs/dbraw/zinc/90/97/67/947909767.db2.gz VYLMEPNMGBMGSV-UHFFFAOYSA-N 1 1 408.550 4.035 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000573140641 948086593 /nfs/dbraw/zinc/08/65/93/948086593.db2.gz YRCLJOLKXYNVRB-OAQYLSRUSA-N 1 1 404.432 4.417 20 30 HIEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617315 948252303 /nfs/dbraw/zinc/25/23/03/948252303.db2.gz YHPDEPSYFMVJPP-HNNXBMFYSA-N 1 1 412.419 4.302 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574386813 948429779 /nfs/dbraw/zinc/42/97/79/948429779.db2.gz GWRQJQXBQFBJIT-UXGKSEPASA-N 1 1 408.933 4.259 20 30 HIEDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)cc1Cl ZINC000574624790 948493445 /nfs/dbraw/zinc/49/34/45/948493445.db2.gz PAMOXOJODRLWFA-NSHDSACASA-N 1 1 416.852 4.485 20 30 HIEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575089832 948589735 /nfs/dbraw/zinc/58/97/35/948589735.db2.gz OVWULYFDBUTDDQ-FUHWJXTLSA-N 1 1 422.454 4.482 20 30 HIEDMO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627780 719079413 /nfs/dbraw/zinc/07/94/13/719079413.db2.gz QRDBBRAFOLNEFY-APWZRJJASA-N 1 1 402.876 4.252 20 30 HIEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628527 719080916 /nfs/dbraw/zinc/08/09/16/719080916.db2.gz SGSKYSGJJFCYMS-QFBILLFUSA-N 1 1 402.876 4.252 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164842340 720728146 /nfs/dbraw/zinc/72/81/46/720728146.db2.gz YNESEPVQFOQPKN-JOCHJYFZSA-N 1 1 416.569 4.092 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c1C#N ZINC000007579416 845367413 /nfs/dbraw/zinc/36/74/13/845367413.db2.gz DTNIOKDCWPEJAI-UHFFFAOYSA-N 1 1 410.905 4.342 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c1C#N ZINC000007579416 845367422 /nfs/dbraw/zinc/36/74/22/845367422.db2.gz DTNIOKDCWPEJAI-UHFFFAOYSA-N 1 1 410.905 4.342 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015301090 846030991 /nfs/dbraw/zinc/03/09/91/846030991.db2.gz UGEIEWDUNRPBFC-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015301090 846030999 /nfs/dbraw/zinc/03/09/99/846030999.db2.gz UGEIEWDUNRPBFC-JOCHJYFZSA-N 1 1 419.525 4.158 20 30 HIEDMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000021300331 846427136 /nfs/dbraw/zinc/42/71/36/846427136.db2.gz VJRQLUITCYIPAT-UHFFFAOYSA-N 1 1 422.554 4.095 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406626 846438732 /nfs/dbraw/zinc/43/87/32/846438732.db2.gz GOCNAQMLQPYALU-AREMUKBSSA-N 1 1 424.548 4.446 20 30 HIEDMO COc1ccc(Br)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000022850552 846628804 /nfs/dbraw/zinc/62/88/04/846628804.db2.gz NNUUEZMICZXVOS-UHFFFAOYSA-N 1 1 414.347 4.037 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022983265 846643180 /nfs/dbraw/zinc/64/31/80/846643180.db2.gz BSGPLYJXNASFJY-UHFFFAOYSA-N 1 1 413.562 4.250 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000025937376 847059867 /nfs/dbraw/zinc/05/98/67/847059867.db2.gz AVHKQYWARWFCQJ-UHFFFAOYSA-N 1 1 409.555 4.291 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1C#N ZINC000027558163 847320762 /nfs/dbraw/zinc/32/07/62/847320762.db2.gz UWKKMCUKXCSHGO-QGZVFWFLSA-N 1 1 408.477 4.389 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1C#N ZINC000027558163 847320768 /nfs/dbraw/zinc/32/07/68/847320768.db2.gz UWKKMCUKXCSHGO-QGZVFWFLSA-N 1 1 408.477 4.389 20 30 HIEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000028746555 847455873 /nfs/dbraw/zinc/45/58/73/847455873.db2.gz CPODWEVLTMQVES-FQEVSTJZSA-N 1 1 402.523 4.153 20 30 HIEDMO C[N@@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000028890624 847473023 /nfs/dbraw/zinc/47/30/23/847473023.db2.gz TYCHSEICGNWQTI-UHFFFAOYSA-N 1 1 403.935 4.101 20 30 HIEDMO C[N@@H+](CCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032048563 847982448 /nfs/dbraw/zinc/98/24/48/847982448.db2.gz VWDWAEDNSVRTIZ-UHFFFAOYSA-N 1 1 413.521 4.389 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563755 848328284 /nfs/dbraw/zinc/32/82/84/848328284.db2.gz SRUKEVXPHNJFOZ-IBGZPJMESA-N 1 1 409.505 4.142 20 30 HIEDMO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000042684149 848343761 /nfs/dbraw/zinc/34/37/61/848343761.db2.gz SVFAFRRMLGFTJH-SFHVURJKSA-N 1 1 410.949 4.055 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000043192737 848396799 /nfs/dbraw/zinc/39/67/99/848396799.db2.gz NWUMGBJJEOIRGU-UHFFFAOYSA-N 1 1 418.419 4.197 20 30 HIEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccco1 ZINC000048161501 849182972 /nfs/dbraw/zinc/18/29/72/849182972.db2.gz OPCKCDZQSBNACL-JOCHJYFZSA-N 1 1 418.497 4.349 20 30 HIEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC000048346203 849209640 /nfs/dbraw/zinc/20/96/40/849209640.db2.gz FPUDWLHOVZCTCJ-UHFFFAOYSA-N 1 1 415.493 4.078 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801193 849628914 /nfs/dbraw/zinc/62/89/14/849628914.db2.gz BBUQTXXIXSHREX-MRXNPFEDSA-N 1 1 416.447 4.116 20 30 HIEDMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801193 849628920 /nfs/dbraw/zinc/62/89/20/849628920.db2.gz BBUQTXXIXSHREX-MRXNPFEDSA-N 1 1 416.447 4.116 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1ccc(F)cc1 ZINC000054340891 849849742 /nfs/dbraw/zinc/84/97/42/849849742.db2.gz GPWAVOYNDPPPRX-GOSISDBHSA-N 1 1 414.525 4.174 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1ccc(F)cc1 ZINC000054340891 849849746 /nfs/dbraw/zinc/84/97/46/849849746.db2.gz GPWAVOYNDPPPRX-GOSISDBHSA-N 1 1 414.525 4.174 20 30 HIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H](C)c1ccc(F)cc1 ZINC000054340889 849850032 /nfs/dbraw/zinc/85/00/32/849850032.db2.gz GPWAVOYNDPPPRX-SFHVURJKSA-N 1 1 414.525 4.174 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H](C)c1ccc(F)cc1 ZINC000054340889 849850039 /nfs/dbraw/zinc/85/00/39/849850039.db2.gz GPWAVOYNDPPPRX-SFHVURJKSA-N 1 1 414.525 4.174 20 30 HIEDMO C[C@](C#N)(NC(=O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000055877737 850190589 /nfs/dbraw/zinc/19/05/89/850190589.db2.gz HLCJGLCOAYCSEG-OAQYLSRUSA-N 1 1 402.325 4.481 20 30 HIEDMO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc2ccccc2c1 ZINC000058580236 850861392 /nfs/dbraw/zinc/86/13/92/850861392.db2.gz LDZJRWNRWLYGAX-FQEVSTJZSA-N 1 1 412.537 4.101 20 30 HIEDMO C[C@H](NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc2ccccc2c1 ZINC000058580236 850861395 /nfs/dbraw/zinc/86/13/95/850861395.db2.gz LDZJRWNRWLYGAX-FQEVSTJZSA-N 1 1 412.537 4.101 20 30 HIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000058959290 850969035 /nfs/dbraw/zinc/96/90/35/850969035.db2.gz MSONOMVVYFVCPA-PKTZIBPZSA-N 1 1 413.525 4.341 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(COc4ccccc4)n3)CC2)cc1 ZINC000060466706 851109498 /nfs/dbraw/zinc/10/94/98/851109498.db2.gz PASDERMVPKLJGR-UHFFFAOYSA-N 1 1 418.566 4.302 20 30 HIEDMO Cc1ccc2nc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n2c1 ZINC000064248241 851856604 /nfs/dbraw/zinc/85/66/04/851856604.db2.gz XHWRFUDSFBJLFG-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO Cc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n2c1 ZINC000064248241 851856610 /nfs/dbraw/zinc/85/66/10/851856610.db2.gz XHWRFUDSFBJLFG-UHFFFAOYSA-N 1 1 412.468 4.216 20 30 HIEDMO COc1ccc(CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cc1 ZINC000064807313 851989629 /nfs/dbraw/zinc/98/96/29/851989629.db2.gz LIFVWFOHXXZQLY-UHFFFAOYSA-N 1 1 405.542 4.083 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C ZINC000065431698 852130076 /nfs/dbraw/zinc/13/00/76/852130076.db2.gz AGANYNMDHGMWKO-QHCPKHFHSA-N 1 1 405.542 4.231 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C ZINC000065431698 852130084 /nfs/dbraw/zinc/13/00/84/852130084.db2.gz AGANYNMDHGMWKO-QHCPKHFHSA-N 1 1 405.542 4.231 20 30 HIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C2CCC(O)CC2)c1 ZINC000437143180 862334326 /nfs/dbraw/zinc/33/43/26/862334326.db2.gz QHVAIAFGJUPKRA-UHFFFAOYSA-N 1 1 416.468 4.474 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071809390 852408797 /nfs/dbraw/zinc/40/87/97/852408797.db2.gz DFVFOACLFICNFO-IBGZPJMESA-N 1 1 412.555 4.290 20 30 HIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071809390 852408806 /nfs/dbraw/zinc/40/88/06/852408806.db2.gz DFVFOACLFICNFO-IBGZPJMESA-N 1 1 412.555 4.290 20 30 HIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000078916771 852534175 /nfs/dbraw/zinc/53/41/75/852534175.db2.gz RJFCHGSZUFXFTH-GOSISDBHSA-N 1 1 409.530 4.361 20 30 HIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000097287059 852597198 /nfs/dbraw/zinc/59/71/98/852597198.db2.gz DPCQBQKBZXDAMT-FZQSFKQPSA-N 1 1 408.546 4.327 20 30 HIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000109357026 852958007 /nfs/dbraw/zinc/95/80/07/852958007.db2.gz DHULMBQTEZWRHP-UHFFFAOYSA-N 1 1 408.429 4.136 20 30 HIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000109357026 852958009 /nfs/dbraw/zinc/95/80/09/852958009.db2.gz DHULMBQTEZWRHP-UHFFFAOYSA-N 1 1 408.429 4.136 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000110293215 853083462 /nfs/dbraw/zinc/08/34/62/853083462.db2.gz ROKCGUCEILYMSH-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000110293215 853083466 /nfs/dbraw/zinc/08/34/66/853083466.db2.gz ROKCGUCEILYMSH-UHFFFAOYSA-N 1 1 409.530 4.089 20 30 HIEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989309 853180605 /nfs/dbraw/zinc/18/06/05/853180605.db2.gz MHSKKLFJUYCCOC-MRXNPFEDSA-N 1 1 412.921 4.279 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362894 853383855 /nfs/dbraw/zinc/38/38/55/853383855.db2.gz PTHIGSIKEIHAMG-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362894 853383866 /nfs/dbraw/zinc/38/38/66/853383866.db2.gz PTHIGSIKEIHAMG-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000236671089 853910547 /nfs/dbraw/zinc/91/05/47/853910547.db2.gz AJOMHONFBQFJMP-JOCHJYFZSA-N 1 1 401.514 4.477 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)c1 ZINC000237473306 854041359 /nfs/dbraw/zinc/04/13/59/854041359.db2.gz VEJXAKDKDHMVPX-JOCHJYFZSA-N 1 1 410.926 4.494 20 30 HIEDMO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261396554 854247148 /nfs/dbraw/zinc/24/71/48/854247148.db2.gz SMHBMKNAZIVPAH-UWJYYQICSA-N 1 1 410.949 4.308 20 30 HIEDMO Cc1nnc(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295765 854350429 /nfs/dbraw/zinc/35/04/29/854350429.db2.gz RNYBTZXPVVRCSU-APWZRJJASA-N 1 1 403.452 4.479 20 30 HIEDMO N#Cc1cc(C(F)(F)F)ccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301451373 854397779 /nfs/dbraw/zinc/39/77/79/854397779.db2.gz AFNCHMJMLRMIPC-UHFFFAOYSA-N 1 1 402.420 4.092 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3ccc(C#N)cc3Br)CC2)oc1C ZINC000301870084 854480425 /nfs/dbraw/zinc/48/04/25/854480425.db2.gz JNVBLBLYCZVHNT-UHFFFAOYSA-N 1 1 403.324 4.250 20 30 HIEDMO CSc1ccc([C@@H](CNc2ccc(C#N)nn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000301947839 854501889 /nfs/dbraw/zinc/50/18/89/854501889.db2.gz YHNHCBLLVXDGDE-LJQANCHMSA-N 1 1 407.568 4.343 20 30 HIEDMO CSc1ccc([C@@H](CNc2ccc(C#N)nn2)[N@H+]2CCc3sccc3C2)cc1 ZINC000301947839 854501896 /nfs/dbraw/zinc/50/18/96/854501896.db2.gz YHNHCBLLVXDGDE-LJQANCHMSA-N 1 1 407.568 4.343 20 30 HIEDMO N#Cc1cccnc1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000302906858 854675611 /nfs/dbraw/zinc/67/56/11/854675611.db2.gz CTLMYJPHMHGYSR-UHFFFAOYSA-N 1 1 420.520 4.128 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2ccc(F)cc2F)C2CC2)sc2c1CCC2 ZINC000303012323 854722182 /nfs/dbraw/zinc/72/21/82/854722182.db2.gz MYXCFMFZKLYVTD-UHFFFAOYSA-N 1 1 401.482 4.380 20 30 HIEDMO C=CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc(OC)c1OC ZINC000303023516 854728267 /nfs/dbraw/zinc/72/82/67/854728267.db2.gz VDINWGYTFLPSIY-UHFFFAOYSA-N 1 1 412.555 4.233 20 30 HIEDMO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000303414583 854915733 /nfs/dbraw/zinc/91/57/33/854915733.db2.gz VVFQXEIAWTYCAO-FXAWDEMLSA-N 1 1 418.607 4.197 20 30 HIEDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000303466277 854964744 /nfs/dbraw/zinc/96/47/44/854964744.db2.gz PLTLCPNSQCTTAF-IBGZPJMESA-N 1 1 414.575 4.164 20 30 HIEDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000303466277 854964758 /nfs/dbraw/zinc/96/47/58/854964758.db2.gz PLTLCPNSQCTTAF-IBGZPJMESA-N 1 1 414.575 4.164 20 30 HIEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303479571 854974066 /nfs/dbraw/zinc/97/40/66/854974066.db2.gz OHMBVGOGOVKRET-SFHVURJKSA-N 1 1 412.493 4.439 20 30 HIEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303479571 854974072 /nfs/dbraw/zinc/97/40/72/854974072.db2.gz OHMBVGOGOVKRET-SFHVURJKSA-N 1 1 412.493 4.439 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000437351880 862631130 /nfs/dbraw/zinc/63/11/30/862631130.db2.gz KCFARIKJJKPZLO-HRAATJIYSA-N 1 1 407.963 4.477 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000303566653 855044097 /nfs/dbraw/zinc/04/40/97/855044097.db2.gz MDXXTAGNZFRBSW-UHFFFAOYSA-N 1 1 411.505 4.095 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](c2ccccc2)C1 ZINC000303601664 855071487 /nfs/dbraw/zinc/07/14/87/855071487.db2.gz KAHGPPWEINLXOV-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](c2ccccc2)C1 ZINC000303601664 855071492 /nfs/dbraw/zinc/07/14/92/855071492.db2.gz KAHGPPWEINLXOV-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665073 855116982 /nfs/dbraw/zinc/11/69/82/855116982.db2.gz FAYLSIHNFKATIK-YOEHRIQHSA-N 1 1 413.319 4.127 20 30 HIEDMO N#Cc1ccccc1N1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000303822508 855223750 /nfs/dbraw/zinc/22/37/50/855223750.db2.gz KGSVSERIPQOTFU-UHFFFAOYSA-N 1 1 407.905 4.016 20 30 HIEDMO CCc1cccc(CC)c1NC(=[NH2+])NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000304762372 855359146 /nfs/dbraw/zinc/35/91/46/855359146.db2.gz VPWWOHBHIGHQTG-LJQANCHMSA-N 1 1 408.590 4.438 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409465773 855493713 /nfs/dbraw/zinc/49/37/13/855493713.db2.gz WZBKORWLNXONRH-IBGZPJMESA-N 1 1 413.525 4.048 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000409572836 855546712 /nfs/dbraw/zinc/54/67/12/855546712.db2.gz CTAQXWMPGYHVFS-OAHLLOKOSA-N 1 1 412.347 4.018 20 30 HIEDMO N#Cc1c(C#N)c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2c1CCCCCC2 ZINC000409651356 855583958 /nfs/dbraw/zinc/58/39/58/855583958.db2.gz KLXIHEZYCXMRLN-GOSISDBHSA-N 1 1 414.557 4.401 20 30 HIEDMO N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728701 855623780 /nfs/dbraw/zinc/62/37/80/855623780.db2.gz QCGNGRGFTOCVEF-XLIONFOSSA-N 1 1 400.448 4.463 20 30 HIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000426356263 856256939 /nfs/dbraw/zinc/25/69/39/856256939.db2.gz IKHZYFHXPGBZQB-GOSISDBHSA-N 1 1 402.464 4.254 20 30 HIEDMO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000426420960 856282287 /nfs/dbraw/zinc/28/22/87/856282287.db2.gz PJCUXZZAIWMCSQ-XLIONFOSSA-N 1 1 410.587 4.333 20 30 HIEDMO O=C(NC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000426426708 856284912 /nfs/dbraw/zinc/28/49/12/856284912.db2.gz ZJFCUSSXAUXXHN-IBGZPJMESA-N 1 1 400.444 4.199 20 30 HIEDMO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000426994931 856585741 /nfs/dbraw/zinc/58/57/41/856585741.db2.gz LBRZNSQCTYYGJB-OXJNMPFZSA-N 1 1 410.587 4.160 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428503210 857229698 /nfs/dbraw/zinc/22/96/98/857229698.db2.gz MLUZCRUSPFJDIB-SFHVURJKSA-N 1 1 424.508 4.449 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cccc(C)c2C)c1C#N ZINC000428723471 857309829 /nfs/dbraw/zinc/30/98/29/857309829.db2.gz NJAZXLLDADLVPR-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cccc(C)c2C)c1C#N ZINC000428723471 857309835 /nfs/dbraw/zinc/30/98/35/857309835.db2.gz NJAZXLLDADLVPR-UHFFFAOYSA-N 1 1 404.514 4.305 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 ZINC000428770409 857328575 /nfs/dbraw/zinc/32/85/75/857328575.db2.gz FIRCMNVCYHZJQO-OAQYLSRUSA-N 1 1 420.900 4.234 20 30 HIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 ZINC000428770409 857328577 /nfs/dbraw/zinc/32/85/77/857328577.db2.gz FIRCMNVCYHZJQO-OAQYLSRUSA-N 1 1 420.900 4.234 20 30 HIEDMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794959 857343669 /nfs/dbraw/zinc/34/36/69/857343669.db2.gz PCZZAQBTTNQTLX-MBSDFSHPSA-N 1 1 412.493 4.420 20 30 HIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911332 857409045 /nfs/dbraw/zinc/40/90/45/857409045.db2.gz JIBJYZKFEPXQQR-UGKGYDQZSA-N 1 1 413.525 4.029 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926924 857421431 /nfs/dbraw/zinc/42/14/31/857421431.db2.gz DCKWRWOQDFXVFW-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926924 857421439 /nfs/dbraw/zinc/42/14/39/857421439.db2.gz DCKWRWOQDFXVFW-YWZLYKJASA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(c2ccncc2)CC1 ZINC000429586120 857770711 /nfs/dbraw/zinc/77/07/11/857770711.db2.gz APQUJXFYILMDQE-MRXNPFEDSA-N 1 1 408.571 4.490 20 30 HIEDMO Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000429854056 857912509 /nfs/dbraw/zinc/91/25/09/857912509.db2.gz NSLFQOHXMXOCHR-UHFFFAOYSA-N 1 1 422.554 4.287 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000429886544 857928092 /nfs/dbraw/zinc/92/80/92/857928092.db2.gz OKJKQGQMYMDKDG-MRXNPFEDSA-N 1 1 419.550 4.232 20 30 HIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000429886544 857928101 /nfs/dbraw/zinc/92/81/01/857928101.db2.gz OKJKQGQMYMDKDG-MRXNPFEDSA-N 1 1 419.550 4.232 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1cccs1 ZINC000430182082 858070466 /nfs/dbraw/zinc/07/04/66/858070466.db2.gz XGZMFHIKHDMCQZ-LJQANCHMSA-N 1 1 421.522 4.256 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185116 858071592 /nfs/dbraw/zinc/07/15/92/858071592.db2.gz IKAXQKKGKMWUIF-INIZCTEOSA-N 1 1 406.467 4.243 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1C ZINC000430908188 858365058 /nfs/dbraw/zinc/36/50/58/858365058.db2.gz HRPJKWUVZUXXIQ-DEOSSOPVSA-N 1 1 419.569 4.274 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1C ZINC000430908188 858365061 /nfs/dbraw/zinc/36/50/61/858365061.db2.gz HRPJKWUVZUXXIQ-DEOSSOPVSA-N 1 1 419.569 4.274 20 30 HIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nc4ccccc4o3)sc2C1 ZINC000431595530 858680945 /nfs/dbraw/zinc/68/09/45/858680945.db2.gz JYOYDXZEFOMPNP-CQSZACIVSA-N 1 1 408.527 4.346 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000432874909 859402389 /nfs/dbraw/zinc/40/23/89/859402389.db2.gz WEQDKXCFUSXDGV-DEOSSOPVSA-N 1 1 404.514 4.005 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433233564 859582131 /nfs/dbraw/zinc/58/21/31/859582131.db2.gz GUBLBCFIBCYEIR-OAHLLOKOSA-N 1 1 403.885 4.255 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433233564 859582141 /nfs/dbraw/zinc/58/21/41/859582141.db2.gz GUBLBCFIBCYEIR-OAHLLOKOSA-N 1 1 403.885 4.255 20 30 HIEDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406484 859681955 /nfs/dbraw/zinc/68/19/55/859681955.db2.gz PLYJBEGMZXZFJL-PMACEKPBSA-N 1 1 420.557 4.086 20 30 HIEDMO N#Cc1ccc(N2CC[C@@H]([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)C2=O)cc1 ZINC000433698343 859842083 /nfs/dbraw/zinc/84/20/83/859842083.db2.gz VUXVXBPESFJYBJ-JOCHJYFZSA-N 1 1 403.432 4.321 20 30 HIEDMO N#Cc1ccsc1N1CC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1=O ZINC000433698712 859842528 /nfs/dbraw/zinc/84/25/28/859842528.db2.gz YWUGMEQJFSFSKM-LJQANCHMSA-N 1 1 409.461 4.382 20 30 HIEDMO C=CCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000435097951 860641166 /nfs/dbraw/zinc/64/11/66/860641166.db2.gz WAXKZKCAOKIYKY-DEOSSOPVSA-N 1 1 402.542 4.483 20 30 HIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435130894 860655026 /nfs/dbraw/zinc/65/50/26/860655026.db2.gz WJEGYEQGKLWPAX-UHFFFAOYSA-N 1 1 409.921 4.413 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462279 860806814 /nfs/dbraw/zinc/80/68/14/860806814.db2.gz BRKJNIGIMFCYCE-DNVCBOLYSA-N 1 1 405.420 4.291 20 30 HIEDMO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000467765688 881583192 /nfs/dbraw/zinc/58/31/92/881583192.db2.gz AYRYZJZWPSMWCL-HSZRJFAPSA-N 1 1 407.876 4.346 20 30 HIEDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467766733 881583625 /nfs/dbraw/zinc/58/36/25/881583625.db2.gz DVPHGHNYWWIHNF-HSZRJFAPSA-N 1 1 408.498 4.289 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000435535027 860849546 /nfs/dbraw/zinc/84/95/46/860849546.db2.gz CBISCGKJNAQKGZ-KRWDZBQOSA-N 1 1 412.559 4.441 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000435535028 860849704 /nfs/dbraw/zinc/84/97/04/860849704.db2.gz CBISCGKJNAQKGZ-QGZVFWFLSA-N 1 1 412.559 4.441 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@H+]1C ZINC000437744601 863069996 /nfs/dbraw/zinc/06/99/96/863069996.db2.gz KQTAQAASCIGCEO-GCJKJVERSA-N 1 1 406.530 4.278 20 30 HIEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)[nH+]c1 ZINC000438041299 863400614 /nfs/dbraw/zinc/40/06/14/863400614.db2.gz WQUXUEMCFCDCHS-KRWDZBQOSA-N 1 1 409.559 4.432 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438208118 863640805 /nfs/dbraw/zinc/64/08/05/863640805.db2.gz AUFNFOWOZKLPCM-QFBILLFUSA-N 1 1 408.502 4.306 20 30 HIEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1Cc1ccccc1 ZINC000438456537 863879732 /nfs/dbraw/zinc/87/97/32/863879732.db2.gz QNINDOOKPCRZAN-FPOVZHCZSA-N 1 1 422.598 4.226 20 30 HIEDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)[nH+]1 ZINC000438627422 864056669 /nfs/dbraw/zinc/05/66/69/864056669.db2.gz AQLNNSUJIWVGNK-UHFFFAOYSA-N 1 1 403.408 4.071 20 30 HIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000438716034 864200132 /nfs/dbraw/zinc/20/01/32/864200132.db2.gz HAWGGOISSHELAE-OAHLLOKOSA-N 1 1 415.419 4.008 20 30 HIEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440537796 865809206 /nfs/dbraw/zinc/80/92/06/865809206.db2.gz HAFLZRNBDIXREL-SYJLOODJSA-N 1 1 413.587 4.107 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551478 865816309 /nfs/dbraw/zinc/81/63/09/865816309.db2.gz CCDFRKYKGNLXNT-ZJSXRUAMSA-N 1 1 423.944 4.320 20 30 HIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551478 865816310 /nfs/dbraw/zinc/81/63/10/865816310.db2.gz CCDFRKYKGNLXNT-ZJSXRUAMSA-N 1 1 423.944 4.320 20 30 HIEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nccs1 ZINC000440709883 865871900 /nfs/dbraw/zinc/87/19/00/865871900.db2.gz FDWSVMCLXATAPK-QHCPKHFHSA-N 1 1 421.570 4.335 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441037635 866102665 /nfs/dbraw/zinc/10/26/65/866102665.db2.gz UHIXZZHQHAGHOP-LZJOCLMNSA-N 1 1 409.555 4.201 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441037635 866102696 /nfs/dbraw/zinc/10/26/96/866102696.db2.gz UHIXZZHQHAGHOP-LZJOCLMNSA-N 1 1 409.555 4.201 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059488 866141633 /nfs/dbraw/zinc/14/16/33/866141633.db2.gz HBHAZUALLYKHSE-KBPBESRZSA-N 1 1 414.497 4.072 20 30 HIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059488 866141654 /nfs/dbraw/zinc/14/16/54/866141654.db2.gz HBHAZUALLYKHSE-KBPBESRZSA-N 1 1 414.497 4.072 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441080996 866173155 /nfs/dbraw/zinc/17/31/55/866173155.db2.gz QRHIGDDTGJAPBA-JOCHJYFZSA-N 1 1 422.573 4.077 20 30 HIEDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441267550 866342033 /nfs/dbraw/zinc/34/20/33/866342033.db2.gz PVYJVFDHFPCDHR-JKSUJKDBSA-N 1 1 410.905 4.076 20 30 HIEDMO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000441290046 866364232 /nfs/dbraw/zinc/36/42/32/866364232.db2.gz WWCDYCFVBLONCF-VGOFRKELSA-N 1 1 406.505 4.034 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000441331664 866403227 /nfs/dbraw/zinc/40/32/27/866403227.db2.gz OURNGOAABUBCDK-HSZRJFAPSA-N 1 1 405.542 4.089 20 30 HIEDMO CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000441487660 866568529 /nfs/dbraw/zinc/56/85/29/866568529.db2.gz FWGSOLQBYIZEEM-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441487660 866568541 /nfs/dbraw/zinc/56/85/41/866568541.db2.gz FWGSOLQBYIZEEM-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441487660 866568552 /nfs/dbraw/zinc/56/85/52/866568552.db2.gz FWGSOLQBYIZEEM-HSZRJFAPSA-N 1 1 415.541 4.485 20 30 HIEDMO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000441548326 866624662 /nfs/dbraw/zinc/62/46/62/866624662.db2.gz YVMKQJJHNUIYOE-PGRDOPGGSA-N 1 1 401.514 4.266 20 30 HIEDMO N#Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)(F)F ZINC000442058937 867091241 /nfs/dbraw/zinc/09/12/41/867091241.db2.gz YGEFADQAZJQSQS-MRXNPFEDSA-N 1 1 418.419 4.100 20 30 HIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000442873872 867708943 /nfs/dbraw/zinc/70/89/43/867708943.db2.gz ADSOVJGTEJNKBN-UHFFFAOYSA-N 1 1 407.562 4.280 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)sc2c1CCC2 ZINC000443650654 868245844 /nfs/dbraw/zinc/24/58/44/868245844.db2.gz IUQSLPGPGOOZOI-AWEZNQCLSA-N 1 1 415.946 4.244 20 30 HIEDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000443919081 868454805 /nfs/dbraw/zinc/45/48/05/868454805.db2.gz SRSVYMLWXVQTKQ-UHFFFAOYSA-N 1 1 400.526 4.212 20 30 HIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000443991213 868514164 /nfs/dbraw/zinc/51/41/64/868514164.db2.gz UHLARNJOMXXIHG-XMMPIXPASA-N 1 1 420.534 4.158 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444167020 868645889 /nfs/dbraw/zinc/64/58/89/868645889.db2.gz CXCVDWMPAAHVBQ-TZIWHRDSSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444167020 868645895 /nfs/dbraw/zinc/64/58/95/868645895.db2.gz CXCVDWMPAAHVBQ-TZIWHRDSSA-N 1 1 423.582 4.416 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000444169924 868647413 /nfs/dbraw/zinc/64/74/13/868647413.db2.gz LYVLRUBAGUSRBL-IAGOWNOFSA-N 1 1 402.608 4.022 20 30 HIEDMO Cc1ccc(N2CCC(NC(=O)c3cn(CCCC#N)c4ccccc34)CC2)[nH+]c1 ZINC000444256498 868702275 /nfs/dbraw/zinc/70/22/75/868702275.db2.gz LZXZHKMRNOPCAZ-UHFFFAOYSA-N 1 1 401.514 4.047 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273488 868709489 /nfs/dbraw/zinc/70/94/89/868709489.db2.gz PWTUMHPRHZAZJT-AUSIDOKSSA-N 1 1 400.526 4.195 20 30 HIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000444638703 868925828 /nfs/dbraw/zinc/92/58/28/868925828.db2.gz LMEFBNSTTRIAQP-OAHLLOKOSA-N 1 1 407.356 4.215 20 30 HIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1nc2ccccc2n1C(F)F ZINC000444674929 868953018 /nfs/dbraw/zinc/95/30/18/868953018.db2.gz KVNVOHZDAMFBPX-XXUFKVEXSA-N 1 1 417.504 4.401 20 30 HIEDMO CS[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000444684879 868958224 /nfs/dbraw/zinc/95/82/24/868958224.db2.gz LYXJMAZDKDLXAB-RPWUZVMVSA-N 1 1 405.611 4.398 20 30 HIEDMO CS[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000444684879 868958225 /nfs/dbraw/zinc/95/82/25/868958225.db2.gz LYXJMAZDKDLXAB-RPWUZVMVSA-N 1 1 405.611 4.398 20 30 HIEDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444715367 868972537 /nfs/dbraw/zinc/97/25/37/868972537.db2.gz MULIBUJDPFTCLA-UHFFFAOYSA-N 1 1 406.711 4.353 20 30 HIEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444715367 868972543 /nfs/dbraw/zinc/97/25/43/868972543.db2.gz MULIBUJDPFTCLA-UHFFFAOYSA-N 1 1 406.711 4.353 20 30 HIEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000444726560 868980328 /nfs/dbraw/zinc/98/03/28/868980328.db2.gz AZSBJZROJMOLJN-HOCLYGCPSA-N 1 1 407.358 4.097 20 30 HIEDMO O=C1[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC000444740793 868983374 /nfs/dbraw/zinc/98/33/74/868983374.db2.gz WTHLMIRHIBPTRY-NWDGAFQWSA-N 1 1 422.291 4.452 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744878 868984282 /nfs/dbraw/zinc/98/42/82/868984282.db2.gz RMNKOZQALNSMKX-HOCLYGCPSA-N 1 1 409.374 4.343 20 30 HIEDMO C=CC[C@@H]1[N@@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777197 868997850 /nfs/dbraw/zinc/99/78/50/868997850.db2.gz FEJLMLCIUJUUEF-SFHVURJKSA-N 1 1 401.507 4.329 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447551021 871427249 /nfs/dbraw/zinc/42/72/49/871427249.db2.gz JJUMNZATHFPBCI-PFWHTEFJSA-N 1 1 414.509 4.100 20 30 HIEDMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000460113135 872580943 /nfs/dbraw/zinc/58/09/43/872580943.db2.gz YYVUTXDBGWUADM-LJQANCHMSA-N 1 1 400.404 4.470 20 30 HIEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460367218 873001183 /nfs/dbraw/zinc/00/11/83/873001183.db2.gz ASWOFQJXTGOCHQ-XMGTWHOFSA-N 1 1 409.578 4.018 20 30 HIEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460547840 873253210 /nfs/dbraw/zinc/25/32/10/873253210.db2.gz FRWIQXYXOACIFH-NRFANRHFSA-N 1 1 402.546 4.017 20 30 HIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2CC2)c(OC)c1 ZINC000503236689 912216382 /nfs/dbraw/zinc/21/63/82/912216382.db2.gz YXBYPBRVRKMVOC-UHFFFAOYSA-N 1 1 413.905 4.080 20 30 HIEDMO COc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC2CC2)c(OC)c1 ZINC000503236689 912216389 /nfs/dbraw/zinc/21/63/89/912216389.db2.gz YXBYPBRVRKMVOC-UHFFFAOYSA-N 1 1 413.905 4.080 20 30 HIEDMO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460556456 873275261 /nfs/dbraw/zinc/27/52/61/873275261.db2.gz HHGLUNQHNCUREY-QFBILLFUSA-N 1 1 415.969 4.321 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460770574 873617771 /nfs/dbraw/zinc/61/77/71/873617771.db2.gz RRLZLULMOPLWDX-HJNYFJLDSA-N 1 1 409.578 4.368 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460775440 873625905 /nfs/dbraw/zinc/62/59/05/873625905.db2.gz GDCWNOXJTBSBSW-NRFANRHFSA-N 1 1 416.573 4.325 20 30 HIEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460775890 873628643 /nfs/dbraw/zinc/62/86/43/873628643.db2.gz HQRRHXKXBXPADT-JFJDKTSWSA-N 1 1 423.605 4.441 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460784215 873642556 /nfs/dbraw/zinc/64/25/56/873642556.db2.gz GKROBKOOPZCBDI-UHFFFAOYSA-N 1 1 417.561 4.141 20 30 HIEDMO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460793880 873660946 /nfs/dbraw/zinc/66/09/46/873660946.db2.gz MOIMFDSVTHQOFP-SNJCGAMXSA-N 1 1 423.605 4.266 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460934149 873835608 /nfs/dbraw/zinc/83/56/08/873835608.db2.gz AJVHVLPMXKBIDS-UHFFFAOYSA-N 1 1 422.602 4.423 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460952200 873850935 /nfs/dbraw/zinc/85/09/35/873850935.db2.gz NZPSVEXKXCXNKL-FCEUIQTBSA-N 1 1 409.578 4.020 20 30 HIEDMO C=CCc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000461432746 874480063 /nfs/dbraw/zinc/48/00/63/874480063.db2.gz VJIXBCGUBYEKQN-JTHBVZDNSA-N 1 1 420.553 4.026 20 30 HIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1OCCCO ZINC000463026621 876045515 /nfs/dbraw/zinc/04/55/15/876045515.db2.gz AOXUPXTYQAQHEO-ZDUSSCGKSA-N 1 1 407.283 4.072 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000463030154 876048679 /nfs/dbraw/zinc/04/86/79/876048679.db2.gz RIQLDRXGFVOLIU-SANMLTNESA-N 1 1 414.553 4.281 20 30 HIEDMO CCCOc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463358512 876411646 /nfs/dbraw/zinc/41/16/46/876411646.db2.gz DYZUQWIEDOVQKS-UHFFFAOYSA-N 1 1 405.542 4.014 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)sc2C1 ZINC000463420331 876475644 /nfs/dbraw/zinc/47/56/44/876475644.db2.gz QYMLMFOXUOATMQ-HNNXBMFYSA-N 1 1 421.566 4.326 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)sc2c1CCCC2 ZINC000463431450 876487487 /nfs/dbraw/zinc/48/74/87/876487487.db2.gz SCHCMSCXXSKZMO-UHFFFAOYSA-N 1 1 407.539 4.080 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000463510034 876572488 /nfs/dbraw/zinc/57/24/88/876572488.db2.gz WBCDFJWSUYWJAC-UHFFFAOYSA-N 1 1 415.459 4.244 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000464347257 877538677 /nfs/dbraw/zinc/53/86/77/877538677.db2.gz XNEJWQSZRXIEKM-QHCPKHFHSA-N 1 1 403.526 4.132 20 30 HIEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000464359557 877553992 /nfs/dbraw/zinc/55/39/92/877553992.db2.gz XULGOLLQIQDPCU-HSZRJFAPSA-N 1 1 403.526 4.132 20 30 HIEDMO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000464416160 877623656 /nfs/dbraw/zinc/62/36/56/877623656.db2.gz GOCVXAVEWVMBFC-CTNGQTDRSA-N 1 1 408.542 4.385 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829893 878084742 /nfs/dbraw/zinc/08/47/42/878084742.db2.gz OXUJJACADKKQRR-QUCCMNQESA-N 1 1 404.539 4.209 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829893 878084765 /nfs/dbraw/zinc/08/47/65/878084765.db2.gz OXUJJACADKKQRR-QUCCMNQESA-N 1 1 404.539 4.209 20 30 HIEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)CO1 ZINC000464836218 878098958 /nfs/dbraw/zinc/09/89/58/878098958.db2.gz VZLIWCOBUIBHFH-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)CO1 ZINC000464836218 878098978 /nfs/dbraw/zinc/09/89/78/878098978.db2.gz VZLIWCOBUIBHFH-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)cc1 ZINC000503341405 912318447 /nfs/dbraw/zinc/31/84/47/912318447.db2.gz SUVMHZTXDGOJSZ-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)cc1 ZINC000503341405 912318466 /nfs/dbraw/zinc/31/84/66/912318466.db2.gz SUVMHZTXDGOJSZ-UHFFFAOYSA-N 1 1 403.457 4.305 20 30 HIEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000465157150 878539159 /nfs/dbraw/zinc/53/91/59/878539159.db2.gz NJKVSCIJJSZRER-OAQYLSRUSA-N 1 1 420.557 4.431 20 30 HIEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000466005329 879684487 /nfs/dbraw/zinc/68/44/87/879684487.db2.gz LTEPOHAQXSUBRI-UHFFFAOYSA-N 1 1 417.513 4.439 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466106440 879822306 /nfs/dbraw/zinc/82/23/06/879822306.db2.gz RZTPAAINTRHKJP-IFMALSPDSA-N 1 1 408.571 4.400 20 30 HIEDMO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000466393751 880156819 /nfs/dbraw/zinc/15/68/19/880156819.db2.gz VPDQWUHYICDKPI-YHBQERECSA-N 1 1 402.542 4.030 20 30 HIEDMO C[C@H]1C[C@@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000466608345 880377975 /nfs/dbraw/zinc/37/79/75/880377975.db2.gz HOYAMALCMQKKGH-PZJWPPBQSA-N 1 1 421.545 4.186 20 30 HIEDMO N#CCCCOc1cccnc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000466611532 880381488 /nfs/dbraw/zinc/38/14/88/880381488.db2.gz VAPIKLIVIFGASW-SEJPIABJSA-N 1 1 419.529 4.081 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466628107 880400738 /nfs/dbraw/zinc/40/07/38/880400738.db2.gz OXQKBHFKBWWZMN-IBGZPJMESA-N 1 1 421.545 4.460 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000466835705 880604174 /nfs/dbraw/zinc/60/41/74/880604174.db2.gz OAVSOBCPGLLQPU-UHFFFAOYSA-N 1 1 405.933 4.105 20 30 HIEDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000467175803 880904957 /nfs/dbraw/zinc/90/49/57/880904957.db2.gz KQHRSZFRVKDXTN-OAHLLOKOSA-N 1 1 409.555 4.324 20 30 HIEDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467281602 881027805 /nfs/dbraw/zinc/02/78/05/881027805.db2.gz WNDHMOJRZUOQHK-IAGOWNOFSA-N 1 1 403.592 4.212 20 30 HIEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469465840 883685371 /nfs/dbraw/zinc/68/53/71/883685371.db2.gz BGZRGLXPLMUJAC-FQEVSTJZSA-N 1 1 400.526 4.292 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469465840 883685390 /nfs/dbraw/zinc/68/53/90/883685390.db2.gz BGZRGLXPLMUJAC-FQEVSTJZSA-N 1 1 400.526 4.292 20 30 HIEDMO N#CCCN(C(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000470212843 884534862 /nfs/dbraw/zinc/53/48/62/884534862.db2.gz CHBNHEGBYAYMBD-UHFFFAOYSA-N 1 1 414.912 4.302 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000470280502 884644543 /nfs/dbraw/zinc/64/45/43/884644543.db2.gz ZOPAMAQKYHZYRA-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000470280502 884644559 /nfs/dbraw/zinc/64/45/59/884644559.db2.gz ZOPAMAQKYHZYRA-UHFFFAOYSA-N 1 1 418.419 4.039 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000503894239 912854333 /nfs/dbraw/zinc/85/43/33/912854333.db2.gz RUIDTCGHJGNDHE-XMMPIXPASA-N 1 1 403.501 4.368 20 30 HIEDMO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000503894239 912854338 /nfs/dbraw/zinc/85/43/38/912854338.db2.gz RUIDTCGHJGNDHE-XMMPIXPASA-N 1 1 403.501 4.368 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000470387420 884789805 /nfs/dbraw/zinc/78/98/05/884789805.db2.gz MNSXUPUJZRNIPJ-UHFFFAOYSA-N 1 1 417.465 4.117 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503970175 912890188 /nfs/dbraw/zinc/89/01/88/912890188.db2.gz QHGFLSQRQBQJGD-NRFANRHFSA-N 1 1 424.545 4.152 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470943964 885442527 /nfs/dbraw/zinc/44/25/27/885442527.db2.gz FUHRXKVFEXUZGI-CRAIPNDOSA-N 1 1 422.451 4.219 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1C ZINC000471047112 885558338 /nfs/dbraw/zinc/55/83/38/885558338.db2.gz KSGLEEROVDPUJO-RUZDIDTESA-N 1 1 419.569 4.312 20 30 HIEDMO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000504078129 912983179 /nfs/dbraw/zinc/98/31/79/912983179.db2.gz BKDLMDRQZHUJHV-QFIPXVFZSA-N 1 1 408.933 4.313 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@H](C(C)C)C2)c1C#N ZINC000472243126 887053365 /nfs/dbraw/zinc/05/33/65/887053365.db2.gz QTNHLTURGOMTMW-FQEVSTJZSA-N 1 1 414.575 4.020 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472455379 887309554 /nfs/dbraw/zinc/30/95/54/887309554.db2.gz QBVDKRQIDNMLQD-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472455379 887309575 /nfs/dbraw/zinc/30/95/75/887309575.db2.gz QBVDKRQIDNMLQD-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472455379 887309588 /nfs/dbraw/zinc/30/95/88/887309588.db2.gz QBVDKRQIDNMLQD-IBGZPJMESA-N 1 1 422.598 4.033 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000472454561 887309710 /nfs/dbraw/zinc/30/97/10/887309710.db2.gz RNRHNPDBSWKYPC-NRFANRHFSA-N 1 1 401.510 4.419 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000472454561 887309725 /nfs/dbraw/zinc/30/97/25/887309725.db2.gz RNRHNPDBSWKYPC-NRFANRHFSA-N 1 1 401.510 4.419 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1Cl ZINC000473159589 887938451 /nfs/dbraw/zinc/93/84/51/887938451.db2.gz IFDZXIWSJQRDIM-HSZRJFAPSA-N 1 1 409.917 4.027 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1Cl ZINC000473159589 887938456 /nfs/dbraw/zinc/93/84/56/887938456.db2.gz IFDZXIWSJQRDIM-HSZRJFAPSA-N 1 1 409.917 4.027 20 30 HIEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473867463 888724738 /nfs/dbraw/zinc/72/47/38/888724738.db2.gz UPYZZYDZNNTQHR-KRWDZBQOSA-N 1 1 420.488 4.422 20 30 HIEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)cc1 ZINC000474170293 889007878 /nfs/dbraw/zinc/00/78/78/889007878.db2.gz PPZKYUYDTRSGPA-UHFFFAOYSA-N 1 1 423.557 4.192 20 30 HIEDMO Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000475318245 890236171 /nfs/dbraw/zinc/23/61/71/890236171.db2.gz PLBSYGJWXLZPQB-NRFANRHFSA-N 1 1 418.541 4.446 20 30 HIEDMO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475323647 890243588 /nfs/dbraw/zinc/24/35/88/890243588.db2.gz YSUVIJAVVSAQBP-NRFANRHFSA-N 1 1 415.493 4.077 20 30 HIEDMO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000475342599 890263613 /nfs/dbraw/zinc/26/36/13/890263613.db2.gz NCGBKULDAQDFEJ-QFIPXVFZSA-N 1 1 405.933 4.123 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000475386485 890315133 /nfs/dbraw/zinc/31/51/33/890315133.db2.gz CRZIWUNTTNNPEI-FQEVSTJZSA-N 1 1 409.530 4.023 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000475567645 890497589 /nfs/dbraw/zinc/49/75/89/890497589.db2.gz LIHNLYIHQNRDHU-VWLOTQADSA-N 1 1 407.558 4.297 20 30 HIEDMO N#Cc1ccc(CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839498 913562391 /nfs/dbraw/zinc/56/23/91/913562391.db2.gz BQOPSMROFKGGET-JOCHJYFZSA-N 1 1 409.480 4.207 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000476599378 891534143 /nfs/dbraw/zinc/53/41/43/891534143.db2.gz QHJSMTMCPFIKFA-PKTZIBPZSA-N 1 1 403.526 4.204 20 30 HIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994575 891921588 /nfs/dbraw/zinc/92/15/88/891921588.db2.gz KNLAIZMWAALBHY-IAGOWNOFSA-N 1 1 421.932 4.460 20 30 HIEDMO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000477746975 892841478 /nfs/dbraw/zinc/84/14/78/892841478.db2.gz VBXSMQZMBSGJKH-UHFFFAOYSA-N 1 1 419.488 4.384 20 30 HIEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000477746975 892841483 /nfs/dbraw/zinc/84/14/83/892841483.db2.gz VBXSMQZMBSGJKH-UHFFFAOYSA-N 1 1 419.488 4.384 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000477984607 893085196 /nfs/dbraw/zinc/08/51/96/893085196.db2.gz KVSMRQAKLFOBGB-LSTHTHJFSA-N 1 1 401.576 4.299 20 30 HIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C12CCC2 ZINC000477984607 893085219 /nfs/dbraw/zinc/08/52/19/893085219.db2.gz KVSMRQAKLFOBGB-LSTHTHJFSA-N 1 1 401.576 4.299 20 30 HIEDMO C=CCN(Cc1ccccc1F)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000478004188 893108982 /nfs/dbraw/zinc/10/89/82/893108982.db2.gz ZXHXPBIDUNEOJU-UHFFFAOYSA-N 1 1 414.525 4.040 20 30 HIEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478024976 893147668 /nfs/dbraw/zinc/14/76/68/893147668.db2.gz GWFMHPWGWDHHOP-UHFFFAOYSA-N 1 1 401.894 4.080 20 30 HIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036484 893167767 /nfs/dbraw/zinc/16/77/67/893167767.db2.gz KZBAMUPKQUMVNP-PKOBYXMFSA-N 1 1 416.587 4.192 20 30 HIEDMO C=CCOc1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000478352677 893602284 /nfs/dbraw/zinc/60/22/84/893602284.db2.gz GWLZOKZWAZISAS-LJQANCHMSA-N 1 1 400.563 4.377 20 30 HIEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000479053193 894312170 /nfs/dbraw/zinc/31/21/70/894312170.db2.gz WFXINASVHWIZCK-UGKGYDQZSA-N 1 1 401.510 4.439 20 30 HIEDMO Cc1nc(-c2ccccc2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479312234 894599158 /nfs/dbraw/zinc/59/91/58/894599158.db2.gz SPTCKOAFPRGOBV-UHFFFAOYSA-N 1 1 416.550 4.407 20 30 HIEDMO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000479955668 895310281 /nfs/dbraw/zinc/31/02/81/895310281.db2.gz FWNZOTIBHFULML-IBGZPJMESA-N 1 1 419.525 4.128 20 30 HIEDMO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000479955668 895310298 /nfs/dbraw/zinc/31/02/98/895310298.db2.gz FWNZOTIBHFULML-IBGZPJMESA-N 1 1 419.525 4.128 20 30 HIEDMO CC1CC[NH+](Cc2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000480021024 895371399 /nfs/dbraw/zinc/37/13/99/895371399.db2.gz OYEWAYRTQRWWPL-UHFFFAOYSA-N 1 1 413.569 4.480 20 30 HIEDMO Cc1ccc2c(ncc(C#N)c2N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1Br ZINC000480078881 895433261 /nfs/dbraw/zinc/43/32/61/895433261.db2.gz BWFORCKTPTUZOG-OAHLLOKOSA-N 1 1 424.346 4.370 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169833 896504947 /nfs/dbraw/zinc/50/49/47/896504947.db2.gz GHUMOXXCFPELLU-WIOPSUGQSA-N 1 1 418.585 4.050 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481515782 896883259 /nfs/dbraw/zinc/88/32/59/896883259.db2.gz LFQRJELUWPJKLW-GOSISDBHSA-N 1 1 417.488 4.091 20 30 HIEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481515782 896883262 /nfs/dbraw/zinc/88/32/62/896883262.db2.gz LFQRJELUWPJKLW-GOSISDBHSA-N 1 1 417.488 4.091 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481579938 896959057 /nfs/dbraw/zinc/95/90/57/896959057.db2.gz RBHPXLCBJMCVNE-JLCFBVMHSA-N 1 1 404.457 4.066 20 30 HIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(F)c(F)c1 ZINC000481605389 896986428 /nfs/dbraw/zinc/98/64/28/896986428.db2.gz HRJNUUUIBHGBHN-ZSEKCTLFSA-N 1 1 417.456 4.166 20 30 HIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000481607531 896987753 /nfs/dbraw/zinc/98/77/53/896987753.db2.gz JUKYLOPPGPPQJP-SFHVURJKSA-N 1 1 402.363 4.356 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC000481619363 897002697 /nfs/dbraw/zinc/00/26/97/897002697.db2.gz FXLZOSUBLMZYLA-UHFFFAOYSA-N 1 1 403.295 4.029 20 30 HIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000481620288 897003227 /nfs/dbraw/zinc/00/32/27/897003227.db2.gz LBBXCCQUPMFSGU-OAQYLSRUSA-N 1 1 422.397 4.358 20 30 HIEDMO COc1cccc2c(N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc(C)[nH+]c12 ZINC000481694679 897080526 /nfs/dbraw/zinc/08/05/26/897080526.db2.gz UVWRTDXMVWUJBX-UHFFFAOYSA-N 1 1 400.482 4.279 20 30 HIEDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC[NH2+]2)cc1 ZINC000505543848 914242218 /nfs/dbraw/zinc/24/22/18/914242218.db2.gz WGYMRQZAZKSOEP-HSZRJFAPSA-N 1 1 412.493 4.095 20 30 HIEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(SCC#N)c3)CC[N@H+]2C2CC2)c1 ZINC000482790692 898399439 /nfs/dbraw/zinc/39/94/39/898399439.db2.gz HUNFDVDJKYKFKU-FCHUYYIVSA-N 1 1 407.539 4.019 20 30 HIEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866721 898479493 /nfs/dbraw/zinc/47/94/93/898479493.db2.gz HBCZHRWXVRBGEG-JOCHJYFZSA-N 1 1 407.583 4.240 20 30 HIEDMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000482871533 898485050 /nfs/dbraw/zinc/48/50/50/898485050.db2.gz HUJWVAJMUULSFM-UHFFFAOYSA-N 1 1 407.905 4.145 20 30 HIEDMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000482880492 898494061 /nfs/dbraw/zinc/49/40/61/898494061.db2.gz AWIZFBUUKRBQCH-UHFFFAOYSA-N 1 1 419.554 4.236 20 30 HIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482965623 898597331 /nfs/dbraw/zinc/59/73/31/898597331.db2.gz SUQZPIMQKABGEF-GHMZBOCLSA-N 1 1 407.699 4.047 20 30 HIEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)c1 ZINC000483230676 898874263 /nfs/dbraw/zinc/87/42/63/898874263.db2.gz PKCHLFOSPCUVBM-HXUWFJFHSA-N 1 1 416.525 4.404 20 30 HIEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000483685798 899345498 /nfs/dbraw/zinc/34/54/98/899345498.db2.gz USPPNJSBDRCVOH-DEOSSOPVSA-N 1 1 402.542 4.143 20 30 HIEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000484081521 899713873 /nfs/dbraw/zinc/71/38/73/899713873.db2.gz PNISHOROSJHUJJ-LJQANCHMSA-N 1 1 405.395 4.169 20 30 HIEDMO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000505692084 914381822 /nfs/dbraw/zinc/38/18/22/914381822.db2.gz OWNDWTDHRHZLGD-XZOQPEGZSA-N 1 1 404.514 4.080 20 30 HIEDMO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000485014234 900362764 /nfs/dbraw/zinc/36/27/64/900362764.db2.gz FGYMIKXZGFZKDM-UHFFFAOYSA-N 1 1 407.823 4.126 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000485230064 900515693 /nfs/dbraw/zinc/51/56/93/900515693.db2.gz KSDSJNIKFWIVID-UHFFFAOYSA-N 1 1 424.524 4.385 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505819588 914477716 /nfs/dbraw/zinc/47/77/16/914477716.db2.gz OIDUGZNZNAYNLO-MOPGFXCFSA-N 1 1 409.555 4.278 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505819588 914477722 /nfs/dbraw/zinc/47/77/22/914477722.db2.gz OIDUGZNZNAYNLO-MOPGFXCFSA-N 1 1 409.555 4.278 20 30 HIEDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000485564239 900835639 /nfs/dbraw/zinc/83/56/39/900835639.db2.gz VZSWWQMQUPQZOI-AWEZNQCLSA-N 1 1 402.589 4.237 20 30 HIEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000485564239 900835642 /nfs/dbraw/zinc/83/56/42/900835642.db2.gz VZSWWQMQUPQZOI-AWEZNQCLSA-N 1 1 402.589 4.237 20 30 HIEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)C[C@@H](C)O1 ZINC000505856267 914502674 /nfs/dbraw/zinc/50/26/74/914502674.db2.gz IQGJOUIWPFPBLP-HZPDHXFCSA-N 1 1 409.555 4.360 20 30 HIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486830764 901882708 /nfs/dbraw/zinc/88/27/08/901882708.db2.gz APESFZZTSRJKIH-HYBUGGRVSA-N 1 1 400.482 4.171 20 30 HIEDMO Cc1nc(SCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000505953181 914608234 /nfs/dbraw/zinc/60/82/34/914608234.db2.gz LQRIROLNYBVYTF-JXFKEZNVSA-N 1 1 414.619 4.084 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000487716793 902313703 /nfs/dbraw/zinc/31/37/03/902313703.db2.gz DFTDBOWPUBVCSE-FDDCHVKYSA-N 1 1 402.546 4.058 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487871835 902417769 /nfs/dbraw/zinc/41/77/69/902417769.db2.gz CXOCCNYPXRCURP-UHFFFAOYSA-N 1 1 401.308 4.094 20 30 HIEDMO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000487935042 902463653 /nfs/dbraw/zinc/46/36/53/902463653.db2.gz MANSBFXAKQMWLG-RBZQAINGSA-N 1 1 418.541 4.317 20 30 HIEDMO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487965064 902490921 /nfs/dbraw/zinc/49/09/21/902490921.db2.gz DEWKCNUJAPMQMF-HIFRSBDPSA-N 1 1 405.340 4.095 20 30 HIEDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000488243680 902717968 /nfs/dbraw/zinc/71/79/68/902717968.db2.gz NLUHWADWUZUYFE-VIQWUECVSA-N 1 1 403.592 4.140 20 30 HIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497993 902856034 /nfs/dbraw/zinc/85/60/34/902856034.db2.gz VFOMCHLOSBEKQW-ZDUSSCGKSA-N 1 1 403.498 4.483 20 30 HIEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908268 903667484 /nfs/dbraw/zinc/66/74/84/903667484.db2.gz FLVNCAVNUOCBFF-GLDPYIMESA-N 1 1 402.542 4.097 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490368674 903961588 /nfs/dbraw/zinc/96/15/88/903961588.db2.gz MSJIEJIGAOBFGU-NQIIRXRSSA-N 1 1 406.530 4.378 20 30 HIEDMO Cn1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000491182181 904468736 /nfs/dbraw/zinc/46/87/36/904468736.db2.gz IHXMPNIKZIKIRG-UHFFFAOYSA-N 1 1 410.525 4.413 20 30 HIEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227276 904489894 /nfs/dbraw/zinc/48/98/94/904489894.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227276 904489905 /nfs/dbraw/zinc/48/99/05/904489905.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 1 1 413.569 4.444 20 30 HIEDMO C[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227276 904489915 /nfs/dbraw/zinc/48/99/15/904489915.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 1 1 413.569 4.444 20 30 HIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000492695462 904890125 /nfs/dbraw/zinc/89/01/25/904890125.db2.gz JHDSWKBHOJKVOO-UHFFFAOYSA-N 1 1 413.319 4.107 20 30 HIEDMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492785793 904904711 /nfs/dbraw/zinc/90/47/11/904904711.db2.gz VMRBHHOGSHKYHX-MRXNPFEDSA-N 1 1 410.587 4.067 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924342 905275375 /nfs/dbraw/zinc/27/53/75/905275375.db2.gz CLNQPXKALVIADU-QUCCMNQESA-N 1 1 406.530 4.378 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000512419752 921148498 /nfs/dbraw/zinc/14/84/98/921148498.db2.gz BWZGPUUPBLGEGA-OXQOHEQNSA-N 1 1 400.567 4.046 20 30 HIEDMO CC[N@@H+](CCNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)CCC(F)(F)F ZINC000494637936 905877144 /nfs/dbraw/zinc/87/71/44/905877144.db2.gz OALBMZNUSHGLJZ-ZDUSSCGKSA-N 1 1 421.332 4.142 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)cc1 ZINC000494682239 905898076 /nfs/dbraw/zinc/89/80/76/905898076.db2.gz XPHFMZHEZQADAX-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)cc1 ZINC000494682239 905898078 /nfs/dbraw/zinc/89/80/78/905898078.db2.gz XPHFMZHEZQADAX-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#CCCn1cc(C(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000494915654 906087858 /nfs/dbraw/zinc/08/78/58/906087858.db2.gz DTSBGCFDZOPHBD-DEOSSOPVSA-N 1 1 415.537 4.500 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)s3)CC2)c1 ZINC000512604659 921257437 /nfs/dbraw/zinc/25/74/37/921257437.db2.gz NSPQUWAMZIYXQJ-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000512663675 921280228 /nfs/dbraw/zinc/28/02/28/921280228.db2.gz OOHNKHNNCGLNRB-QHCPKHFHSA-N 1 1 414.509 4.126 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599744 907080217 /nfs/dbraw/zinc/08/02/17/907080217.db2.gz KPXQRNAZLLLUPL-MSOLQXFVSA-N 1 1 409.530 4.144 20 30 HIEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620017 907098977 /nfs/dbraw/zinc/09/89/77/907098977.db2.gz MALJFIDIBQZUGX-KRWDZBQOSA-N 1 1 413.443 4.128 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000512791704 921311923 /nfs/dbraw/zinc/31/19/23/921311923.db2.gz DHGORADLIVNHQY-HFZDXXHNSA-N 1 1 409.489 4.208 20 30 HIEDMO COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000512791704 921311927 /nfs/dbraw/zinc/31/19/27/921311927.db2.gz DHGORADLIVNHQY-HFZDXXHNSA-N 1 1 409.489 4.208 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1OCC ZINC000512896589 921390102 /nfs/dbraw/zinc/39/01/02/921390102.db2.gz WGYVCHOPYGBURE-GOSISDBHSA-N 1 1 420.351 4.387 20 30 HIEDMO COc1cccc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000498869115 908269612 /nfs/dbraw/zinc/26/96/12/908269612.db2.gz WKERIDUACBZDOL-UHFFFAOYSA-N 1 1 411.933 4.475 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397245 908758188 /nfs/dbraw/zinc/75/81/88/908758188.db2.gz WSQOTQYKPIQCOD-QUCCMNQESA-N 1 1 412.331 4.042 20 30 HIEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)CC2)cs1 ZINC000499809841 908942357 /nfs/dbraw/zinc/94/23/57/908942357.db2.gz HYCVOMZJHNPVFD-KRWDZBQOSA-N 1 1 423.369 4.351 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107932 921556025 /nfs/dbraw/zinc/55/60/25/921556025.db2.gz YREYXXJZTRAJQM-OAQYLSRUSA-N 1 1 421.541 4.020 20 30 HIEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000501028632 910246826 /nfs/dbraw/zinc/24/68/26/910246826.db2.gz FPFGCZAHCOPJBV-OAQYLSRUSA-N 1 1 421.342 4.380 20 30 HIEDMO C=CCn1c(SCCCCn2cc[nH+]c2C)nc2sc3c(c2c1=O)CCC3 ZINC000502105808 911042289 /nfs/dbraw/zinc/04/22/89/911042289.db2.gz JVECGJSXIXLRQO-UHFFFAOYSA-N 1 1 400.573 4.210 20 30 HIEDMO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502205054 911150316 /nfs/dbraw/zinc/15/03/16/911150316.db2.gz IAEINJITTYAMDN-CQSZACIVSA-N 1 1 407.499 4.081 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC000502308597 911273168 /nfs/dbraw/zinc/27/31/68/911273168.db2.gz ZRHDXNUTDXMDKG-LJQANCHMSA-N 1 1 410.949 4.423 20 30 HIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CCCC1 ZINC000502308597 911273185 /nfs/dbraw/zinc/27/31/85/911273185.db2.gz ZRHDXNUTDXMDKG-LJQANCHMSA-N 1 1 410.949 4.423 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328588 911305461 /nfs/dbraw/zinc/30/54/61/911305461.db2.gz WHXKHGMZIXKJIF-OAQYLSRUSA-N 1 1 414.557 4.376 20 30 HIEDMO N#Cc1cc(F)c(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(F)c1 ZINC000502449302 911434838 /nfs/dbraw/zinc/43/48/38/911434838.db2.gz DCMYSJVSWTZILS-UHFFFAOYSA-N 1 1 415.443 4.364 20 30 HIEDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077361 912048221 /nfs/dbraw/zinc/04/82/21/912048221.db2.gz UEIOKOFSQKOVHZ-WMZHIEFXSA-N 1 1 416.525 4.425 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Oc3ccncc3)CC2)cc1 ZINC000513327163 921715891 /nfs/dbraw/zinc/71/58/91/921715891.db2.gz CHPXCGFQVNSXBG-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Oc3ccncc3)CC2)cc1 ZINC000513327163 921715896 /nfs/dbraw/zinc/71/58/96/921715896.db2.gz CHPXCGFQVNSXBG-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO C[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[N@H+]1CCc2sccc2C1 ZINC000507096862 915867096 /nfs/dbraw/zinc/86/70/96/915867096.db2.gz BBIPSECWIWUTHB-ZDUSSCGKSA-N 1 1 414.481 4.050 20 30 HIEDMO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(F)cc(C#N)c1 ZINC000507155175 915894870 /nfs/dbraw/zinc/89/48/70/915894870.db2.gz NCGKULGIRWCWON-UHFFFAOYSA-N 1 1 415.459 4.034 20 30 HIEDMO Cc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1-c1cccc(C#N)c1 ZINC000507302887 916066212 /nfs/dbraw/zinc/06/62/12/916066212.db2.gz JTXACHQNLZOGLT-IBGZPJMESA-N 1 1 419.573 4.169 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507787922 916571776 /nfs/dbraw/zinc/57/17/76/916571776.db2.gz WRCACSOIQHFHCX-GOSISDBHSA-N 1 1 409.555 4.066 20 30 HIEDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000507885590 916729331 /nfs/dbraw/zinc/72/93/31/916729331.db2.gz DTVHPVPGYXJWQQ-QGZVFWFLSA-N 1 1 405.523 4.066 20 30 HIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038766 916867617 /nfs/dbraw/zinc/86/76/17/916867617.db2.gz NNXKPYZFVVJTKI-HXUWFJFHSA-N 1 1 409.530 4.204 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000508080095 916899161 /nfs/dbraw/zinc/89/91/61/916899161.db2.gz SNOOLPOMRYWJBW-HDICACEKSA-N 1 1 423.561 4.046 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000508080095 916899168 /nfs/dbraw/zinc/89/91/68/916899168.db2.gz SNOOLPOMRYWJBW-HDICACEKSA-N 1 1 423.561 4.046 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000508252604 917071963 /nfs/dbraw/zinc/07/19/63/917071963.db2.gz QBFIFUHQXVVIFR-PMACEKPBSA-N 1 1 406.486 4.107 20 30 HIEDMO C=CCOc1c(Br)cc(CNc2cc(CCOC)cc[nH+]2)cc1OC ZINC000508507900 917292902 /nfs/dbraw/zinc/29/29/02/917292902.db2.gz WQTAPEKWTZNCSU-UHFFFAOYSA-N 1 1 407.308 4.219 20 30 HIEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508895019 917651101 /nfs/dbraw/zinc/65/11/01/917651101.db2.gz MTCJCSBTPRJIMC-RTBURBONSA-N 1 1 424.549 4.130 20 30 HIEDMO CC(C)(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cc(F)cc(C#N)c1 ZINC000508913899 917670147 /nfs/dbraw/zinc/67/01/47/917670147.db2.gz JJUQHCLPULPLMG-UHFFFAOYSA-N 1 1 405.517 4.024 20 30 HIEDMO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508930995 917689997 /nfs/dbraw/zinc/68/99/97/917689997.db2.gz GINGHLNOXMPXFE-AZUAARDMSA-N 1 1 403.530 4.330 20 30 HIEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508936651 917693491 /nfs/dbraw/zinc/69/34/91/917693491.db2.gz SLMLNAOAPRVTTQ-YWZLYKJASA-N 1 1 415.944 4.377 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509014530 917767436 /nfs/dbraw/zinc/76/74/36/917767436.db2.gz XOKXDXHWPQOUJF-QKNQBKEWSA-N 1 1 401.599 4.043 20 30 HIEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000509031473 917786742 /nfs/dbraw/zinc/78/67/42/917786742.db2.gz LAVWMLDHQMBXTD-UHFFFAOYSA-N 1 1 406.555 4.233 20 30 HIEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000509031473 917786749 /nfs/dbraw/zinc/78/67/49/917786749.db2.gz LAVWMLDHQMBXTD-UHFFFAOYSA-N 1 1 406.555 4.233 20 30 HIEDMO Cc1nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)sc1SCC#N ZINC000509077343 917822739 /nfs/dbraw/zinc/82/27/39/917822739.db2.gz JPMAOAFLJJDANS-OAHLLOKOSA-N 1 1 422.526 4.163 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@@H+](C)C[C@H]3C)sc2C1 ZINC000509462977 918112409 /nfs/dbraw/zinc/11/24/09/918112409.db2.gz JPBWTWKZAIEUHI-BRWVUGGUSA-N 1 1 416.635 4.124 20 30 HIEDMO COc1ccc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572697 918223318 /nfs/dbraw/zinc/22/33/18/918223318.db2.gz DBCZPXBFNPAQGG-QHCPKHFHSA-N 1 1 407.558 4.474 20 30 HIEDMO COc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572697 918223329 /nfs/dbraw/zinc/22/33/29/918223329.db2.gz DBCZPXBFNPAQGG-QHCPKHFHSA-N 1 1 407.558 4.474 20 30 HIEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572697 918223346 /nfs/dbraw/zinc/22/33/46/918223346.db2.gz DBCZPXBFNPAQGG-QHCPKHFHSA-N 1 1 407.558 4.474 20 30 HIEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(F)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509609103 918256844 /nfs/dbraw/zinc/25/68/44/918256844.db2.gz OUFYFLBVQPMFEL-OYHNWAKOSA-N 1 1 424.499 4.028 20 30 HIEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000510035795 918608152 /nfs/dbraw/zinc/60/81/52/918608152.db2.gz OVPSORUKSLFMGE-HXUWFJFHSA-N 1 1 400.910 4.043 20 30 HIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000510490894 918940368 /nfs/dbraw/zinc/94/03/68/918940368.db2.gz MXWXCLMJMRGNIH-QFIPXVFZSA-N 1 1 422.529 4.137 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000510645875 919085677 /nfs/dbraw/zinc/08/56/77/919085677.db2.gz MMKPFBGEMGXCQE-QGZVFWFLSA-N 1 1 408.502 4.355 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645251 919087079 /nfs/dbraw/zinc/08/70/79/919087079.db2.gz HFXMNXQMNVYOMY-SFTDATJTSA-N 1 1 418.541 4.108 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000510651358 919092088 /nfs/dbraw/zinc/09/20/88/919092088.db2.gz MBGOJONUKZWXEE-FPOVZHCZSA-N 1 1 420.557 4.025 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000510651359 919092802 /nfs/dbraw/zinc/09/28/02/919092802.db2.gz MBGOJONUKZWXEE-PZJWPPBQSA-N 1 1 420.557 4.025 20 30 HIEDMO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000511438520 920048330 /nfs/dbraw/zinc/04/83/30/920048330.db2.gz MEHNGKPLKPEPNV-GOTSBHOMSA-N 1 1 404.514 4.080 20 30 HIEDMO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@H+]1CCCC[C@H]1C ZINC000511471620 920080324 /nfs/dbraw/zinc/08/03/24/920080324.db2.gz BFUQQDVHAOWSLN-QZTJIDSGSA-N 1 1 419.529 4.195 20 30 HIEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000511923012 920668517 /nfs/dbraw/zinc/66/85/17/920668517.db2.gz OIIQHHRAHIDRCL-QHCPKHFHSA-N 1 1 408.521 4.284 20 30 HIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000512036316 920809121 /nfs/dbraw/zinc/80/91/21/920809121.db2.gz GYYQMMXQTDZEKR-UHFFFAOYSA-N 1 1 414.509 4.308 20 30 HIEDMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512222054 920970550 /nfs/dbraw/zinc/97/05/50/920970550.db2.gz NXMWHACPBQFDGS-NRFANRHFSA-N 1 1 419.569 4.492 20 30 HIEDMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512222054 920970558 /nfs/dbraw/zinc/97/05/58/920970558.db2.gz NXMWHACPBQFDGS-NRFANRHFSA-N 1 1 419.569 4.492 20 30 HIEDMO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512221163 920972120 /nfs/dbraw/zinc/97/21/20/920972120.db2.gz HIVLYTFFKLEMMW-FQEVSTJZSA-N 1 1 405.542 4.183 20 30 HIEDMO CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512221163 920972139 /nfs/dbraw/zinc/97/21/39/920972139.db2.gz HIVLYTFFKLEMMW-FQEVSTJZSA-N 1 1 405.542 4.183 20 30 HIEDMO Cc1nc(COc2ccc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc2)cs1 ZINC000512225280 920977187 /nfs/dbraw/zinc/97/71/87/920977187.db2.gz DSRPVEIXUQUDJW-UHFFFAOYSA-N 1 1 422.529 4.364 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513979200 922300857 /nfs/dbraw/zinc/30/08/57/922300857.db2.gz ZHOCQYSOBDJSAZ-QFQXNSOFSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513979200 922300881 /nfs/dbraw/zinc/30/08/81/922300881.db2.gz ZHOCQYSOBDJSAZ-QFQXNSOFSA-N 1 1 409.489 4.111 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccc(C#N)cc1 ZINC000515134770 922943435 /nfs/dbraw/zinc/94/34/35/922943435.db2.gz DEYVHUQPFNKGLL-VWLOTQADSA-N 1 1 421.541 4.055 20 30 HIEDMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H](C)c3ccc(C#N)cc3)c2c1C ZINC000516827579 923908410 /nfs/dbraw/zinc/90/84/10/923908410.db2.gz CDCDIOXYXPGBDA-CQSZACIVSA-N 1 1 423.542 4.283 20 30 HIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654597 926762483 /nfs/dbraw/zinc/76/24/83/926762483.db2.gz ZJVBZDRUTAXGSZ-GCJKJVERSA-N 1 1 412.493 4.311 20 30 HIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518355080 927216544 /nfs/dbraw/zinc/21/65/44/927216544.db2.gz PBFVYCGLMVSSMW-SFHVURJKSA-N 1 1 409.530 4.361 20 30 HIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000518935377 927640680 /nfs/dbraw/zinc/64/06/80/927640680.db2.gz DDKRTBCFVAFAMK-SFHVURJKSA-N 1 1 409.530 4.361 20 30 HIEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000521085986 928983787 /nfs/dbraw/zinc/98/37/87/928983787.db2.gz HOCHPGXRKDUMEK-OALUTQOASA-N 1 1 421.541 4.163 20 30 HIEDMO CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000521102250 928995195 /nfs/dbraw/zinc/99/51/95/928995195.db2.gz SPKJKOQMCIHMNL-UHFFFAOYSA-N 1 1 405.542 4.060 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000524596644 929705871 /nfs/dbraw/zinc/70/58/71/929705871.db2.gz NMWIIALPHAHTIY-FQEVSTJZSA-N 1 1 410.562 4.261 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000525413440 930226346 /nfs/dbraw/zinc/22/63/46/930226346.db2.gz JWCQYLZZHWRYTR-LJQANCHMSA-N 1 1 406.530 4.474 20 30 HIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000525637419 930376836 /nfs/dbraw/zinc/37/68/36/930376836.db2.gz MPQISHBFBWALFX-HXUWFJFHSA-N 1 1 412.361 4.139 20 30 HIEDMO C=CC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530630377 930779108 /nfs/dbraw/zinc/77/91/08/930779108.db2.gz CLTHQRNDBNBLOR-KRWDZBQOSA-N 1 1 405.502 4.013 20 30 HIEDMO C=CC[N@H+](Cc1cc(C(C)=O)ccc1OCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530630377 930779115 /nfs/dbraw/zinc/77/91/15/930779115.db2.gz CLTHQRNDBNBLOR-KRWDZBQOSA-N 1 1 405.502 4.013 20 30 HIEDMO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc2)cc1 ZINC000532437496 931433576 /nfs/dbraw/zinc/43/35/76/931433576.db2.gz KQJMULJHZCLAKZ-DHIUTWEWSA-N 1 1 420.513 4.115 20 30 HIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699584 931593591 /nfs/dbraw/zinc/59/35/91/931593591.db2.gz UZRZDYNRMOYVSF-KSZLIROESA-N 1 1 414.619 4.164 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000532701369 931595261 /nfs/dbraw/zinc/59/52/61/931595261.db2.gz SXFLYZMEZHMCRE-BJESRGMDSA-N 1 1 410.606 4.276 20 30 HIEDMO CC[N@@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000532733276 931616195 /nfs/dbraw/zinc/61/61/95/931616195.db2.gz QTVOAEZPAJVJIQ-UHFFFAOYSA-N 1 1 407.562 4.150 20 30 HIEDMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000532899954 931685615 /nfs/dbraw/zinc/68/56/15/931685615.db2.gz SGYCBWPTOGLGKV-ZDUSSCGKSA-N 1 1 412.465 4.419 20 30 HIEDMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000532899954 931685619 /nfs/dbraw/zinc/68/56/19/931685619.db2.gz SGYCBWPTOGLGKV-ZDUSSCGKSA-N 1 1 412.465 4.419 20 30 HIEDMO CC(C)[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(C#N)cc1 ZINC000532929523 931700768 /nfs/dbraw/zinc/70/07/68/931700768.db2.gz DDLWPFXROVQTLM-UHFFFAOYSA-N 1 1 405.523 4.131 20 30 HIEDMO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000532946423 931706800 /nfs/dbraw/zinc/70/68/00/931706800.db2.gz OKTQYCIJQSUFFR-GOSISDBHSA-N 1 1 413.543 4.063 20 30 HIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000532946423 931706806 /nfs/dbraw/zinc/70/68/06/931706806.db2.gz OKTQYCIJQSUFFR-GOSISDBHSA-N 1 1 413.543 4.063 20 30 HIEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970898 931719603 /nfs/dbraw/zinc/71/96/03/931719603.db2.gz ACDHSLGBLKLVDJ-MAODMQOUSA-N 1 1 415.603 4.353 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021751 931741335 /nfs/dbraw/zinc/74/13/35/931741335.db2.gz JMLLCIIWKTYQGG-CQSZACIVSA-N 1 1 405.889 4.204 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021751 931741342 /nfs/dbraw/zinc/74/13/42/931741342.db2.gz JMLLCIIWKTYQGG-CQSZACIVSA-N 1 1 405.889 4.204 20 30 HIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533073793 931763104 /nfs/dbraw/zinc/76/31/04/931763104.db2.gz AGOVOPHGRWWATB-UHFFFAOYSA-N 1 1 407.562 4.150 20 30 HIEDMO COCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000533254857 931820456 /nfs/dbraw/zinc/82/04/56/931820456.db2.gz DHAOYXGRFSHGRO-HNNXBMFYSA-N 1 1 405.420 4.225 20 30 HIEDMO COCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000533254857 931820457 /nfs/dbraw/zinc/82/04/57/931820457.db2.gz DHAOYXGRFSHGRO-HNNXBMFYSA-N 1 1 405.420 4.225 20 30 HIEDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285162 931827655 /nfs/dbraw/zinc/82/76/55/931827655.db2.gz RANGCPJGTYGVMY-IBGZPJMESA-N 1 1 416.525 4.036 20 30 HIEDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285162 931827658 /nfs/dbraw/zinc/82/76/58/931827658.db2.gz RANGCPJGTYGVMY-IBGZPJMESA-N 1 1 416.525 4.036 20 30 HIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400302 931858820 /nfs/dbraw/zinc/85/88/20/931858820.db2.gz NRIVPAWCKPTIOQ-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400302 931858824 /nfs/dbraw/zinc/85/88/24/931858824.db2.gz NRIVPAWCKPTIOQ-OXJNMPFZSA-N 1 1 409.555 4.289 20 30 HIEDMO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419512 931862543 /nfs/dbraw/zinc/86/25/43/931862543.db2.gz GIGZSFANCBUXLX-SJORKVTESA-N 1 1 403.592 4.497 20 30 HIEDMO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533419512 931862550 /nfs/dbraw/zinc/86/25/50/931862550.db2.gz GIGZSFANCBUXLX-SJORKVTESA-N 1 1 403.592 4.497 20 30 HIEDMO Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(Cl)c3)CCCC2)n1 ZINC000533523975 931893782 /nfs/dbraw/zinc/89/37/82/931893782.db2.gz DAUOBOUQCGAULQ-UHFFFAOYSA-N 1 1 402.951 4.411 20 30 HIEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000534098805 932278383 /nfs/dbraw/zinc/27/83/83/932278383.db2.gz APFXMTVOEDTGGX-UHFFFAOYSA-N 1 1 420.464 4.070 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754267 932732065 /nfs/dbraw/zinc/73/20/65/932732065.db2.gz DJKDIOGVYFPIGO-DQEYMECFSA-N 1 1 411.505 4.312 20 30 HIEDMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684320 933339821 /nfs/dbraw/zinc/33/98/21/933339821.db2.gz UKIXPQJLDXQBIL-XQAUZQBESA-N 1 1 414.912 4.404 20 30 HIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850051 933432555 /nfs/dbraw/zinc/43/25/55/933432555.db2.gz FDQFWSHRYLLDGF-LJQANCHMSA-N 1 1 408.546 4.408 20 30 HIEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562571301 945099986 /nfs/dbraw/zinc/09/99/86/945099986.db2.gz PJPHQDRKRRNAPK-GOSISDBHSA-N 1 1 407.518 4.235 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c(F)c1 ZINC000538223807 938563679 /nfs/dbraw/zinc/56/36/79/938563679.db2.gz VYASLXHQZWFWKG-KUHUBIRLSA-N 1 1 419.497 4.275 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C(N)=O)cc1 ZINC000538322557 938592223 /nfs/dbraw/zinc/59/22/23/938592223.db2.gz CASCTBFEGUUHLS-ZWKOTPCHSA-N 1 1 407.823 4.498 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@H+](C)CCC)C2)cc1OC ZINC000538722164 938691582 /nfs/dbraw/zinc/69/15/82/938691582.db2.gz ZZJDAXZHSXQLPS-MRXNPFEDSA-N 1 1 411.384 4.186 20 30 HIEDMO N#CCCn1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccccc2)n1 ZINC000538792287 938713155 /nfs/dbraw/zinc/71/31/55/938713155.db2.gz MQEZLLTZDYBNDC-XMMPIXPASA-N 1 1 400.526 4.297 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000539095160 938801857 /nfs/dbraw/zinc/80/18/57/938801857.db2.gz LKSKCSCNFWWUBT-NRFANRHFSA-N 1 1 420.310 4.304 20 30 HIEDMO C=CCOc1cccnc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000539338420 938844637 /nfs/dbraw/zinc/84/46/37/938844637.db2.gz PTXRHXBBRWOWQD-UHFFFAOYSA-N 1 1 413.521 4.194 20 30 HIEDMO Cc1cc(Br)cc2c1C[N@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000539376299 938851210 /nfs/dbraw/zinc/85/12/10/938851210.db2.gz AGKUBHMFNVLVOG-UHFFFAOYSA-N 1 1 404.333 4.078 20 30 HIEDMO Cc1cc(Br)cc2c1C[N@@H+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000539376299 938851211 /nfs/dbraw/zinc/85/12/11/938851211.db2.gz AGKUBHMFNVLVOG-UHFFFAOYSA-N 1 1 404.333 4.078 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000539422892 938858486 /nfs/dbraw/zinc/85/84/86/938858486.db2.gz FVYFTADNTMXHNN-SFHVURJKSA-N 1 1 411.571 4.292 20 30 HIEDMO Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)nn1CCC#N ZINC000539719687 938912373 /nfs/dbraw/zinc/91/23/73/938912373.db2.gz WZTREDOYOOLQLK-UHFFFAOYSA-N 1 1 408.550 4.191 20 30 HIEDMO C=CC[N@@H+](Cc1cc(Br)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831253 938950651 /nfs/dbraw/zinc/95/06/51/938950651.db2.gz FVVVKGARCDEUNJ-ZDUSSCGKSA-N 1 1 404.337 4.236 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000539899156 938971696 /nfs/dbraw/zinc/97/16/96/938971696.db2.gz ADUOUCXIUPXUPL-DLBZAZTESA-N 1 1 410.352 4.271 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000540195256 939120074 /nfs/dbraw/zinc/12/00/74/939120074.db2.gz XIQXGJDOAFNMDF-OAQYLSRUSA-N 1 1 420.310 4.304 20 30 HIEDMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540202311 939125623 /nfs/dbraw/zinc/12/56/23/939125623.db2.gz BRPHMBMEPJFFQU-UHFFFAOYSA-N 1 1 414.431 4.498 20 30 HIEDMO Cc1sc2nc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540298503 939186309 /nfs/dbraw/zinc/18/63/09/939186309.db2.gz PUKPLPQOMWXLBR-MRXNPFEDSA-N 1 1 420.586 4.031 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104115 939461517 /nfs/dbraw/zinc/46/15/17/939461517.db2.gz XFYWYCXYYDQSBL-IEBWSBKVSA-N 1 1 424.524 4.001 20 30 HIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C2CC2)cc1 ZINC000541314514 939490549 /nfs/dbraw/zinc/49/05/49/939490549.db2.gz GNUWKPRKVSGQOQ-UHFFFAOYSA-N 1 1 413.403 4.056 20 30 HIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C2CC2)cc1 ZINC000541314514 939490550 /nfs/dbraw/zinc/49/05/50/939490550.db2.gz GNUWKPRKVSGQOQ-UHFFFAOYSA-N 1 1 413.403 4.056 20 30 HIEDMO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nnc2ccccn21 ZINC000541613876 939570975 /nfs/dbraw/zinc/57/09/75/939570975.db2.gz SYJPXCVMJYULJW-KKSFZXQISA-N 1 1 422.558 4.049 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541921898 939654626 /nfs/dbraw/zinc/65/46/26/939654626.db2.gz HTYGTFBWZPFOBU-PMACEKPBSA-N 1 1 406.933 4.338 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541921898 939654627 /nfs/dbraw/zinc/65/46/27/939654627.db2.gz HTYGTFBWZPFOBU-PMACEKPBSA-N 1 1 406.933 4.338 20 30 HIEDMO Cc1oc(NC(=O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(C#N)c1C ZINC000542124753 939722038 /nfs/dbraw/zinc/72/20/38/939722038.db2.gz QBNWTJPUHKBPQP-FQEVSTJZSA-N 1 1 408.889 4.329 20 30 HIEDMO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000542388719 939812498 /nfs/dbraw/zinc/81/24/98/939812498.db2.gz RNEITXUSMFJXAD-UHFFFAOYSA-N 1 1 418.324 4.025 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533295 939838976 /nfs/dbraw/zinc/83/89/76/939838976.db2.gz LSZIEDMBXCCGCU-GUDVDZBRSA-N 1 1 414.619 4.262 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1C#N ZINC000542976483 939890041 /nfs/dbraw/zinc/89/00/41/939890041.db2.gz ZCRFRXLQXMNHGQ-SAWYMBPVSA-N 1 1 408.546 4.457 20 30 HIEDMO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543264615 940012835 /nfs/dbraw/zinc/01/28/35/940012835.db2.gz RVWGYUNGLOEOJD-IBGZPJMESA-N 1 1 422.598 4.414 20 30 HIEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nc(C)cs1 ZINC000543488468 940081168 /nfs/dbraw/zinc/08/11/68/940081168.db2.gz OZCPASJADXMLPO-HXUWFJFHSA-N 1 1 421.570 4.469 20 30 HIEDMO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)cs1 ZINC000543768800 940180777 /nfs/dbraw/zinc/18/07/77/940180777.db2.gz ZZEWIYAPLMMMJX-KRWDZBQOSA-N 1 1 403.555 4.392 20 30 HIEDMO Cc1c(Cl)cnc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1C#N ZINC000544141514 940336747 /nfs/dbraw/zinc/33/67/47/940336747.db2.gz BBTCKOJNWIYNNA-UHFFFAOYSA-N 1 1 414.937 4.017 20 30 HIEDMO C[C@H](c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000544248270 940367449 /nfs/dbraw/zinc/36/74/49/940367449.db2.gz RCOFNQWZDCMIIE-GOSISDBHSA-N 1 1 404.514 4.148 20 30 HIEDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000545161593 940552939 /nfs/dbraw/zinc/55/29/39/940552939.db2.gz XKOOTYSBDXNZSP-UHFFFAOYSA-N 1 1 408.477 4.050 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc1 ZINC000547282981 941051894 /nfs/dbraw/zinc/05/18/94/941051894.db2.gz PCTDDXCHXKYIIC-UHFFFAOYSA-N 1 1 406.486 4.133 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935745 941130874 /nfs/dbraw/zinc/13/08/74/941130874.db2.gz VPKYWMJWGGPABH-LPHOPBHVSA-N 1 1 423.479 4.385 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935745 941130875 /nfs/dbraw/zinc/13/08/75/941130875.db2.gz VPKYWMJWGGPABH-LPHOPBHVSA-N 1 1 423.479 4.385 20 30 HIEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000549058838 941150268 /nfs/dbraw/zinc/15/02/68/941150268.db2.gz DPVOUIZMYIZADR-UHFFFAOYSA-N 1 1 408.594 4.421 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180749 941168978 /nfs/dbraw/zinc/16/89/78/941168978.db2.gz YOBAHDDCHLZSDU-HXUWFJFHSA-N 1 1 405.395 4.476 20 30 HIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180749 941168979 /nfs/dbraw/zinc/16/89/79/941168979.db2.gz YOBAHDDCHLZSDU-HXUWFJFHSA-N 1 1 405.395 4.476 20 30 HIEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549286056 941176962 /nfs/dbraw/zinc/17/69/62/941176962.db2.gz QQYMSWPDLNWTAH-RBBKRZOGSA-N 1 1 418.589 4.484 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549290815 941177343 /nfs/dbraw/zinc/17/73/43/941177343.db2.gz SLJQBKJBPMMUST-RTWAWAEBSA-N 1 1 408.594 4.315 20 30 HIEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549290814 941177373 /nfs/dbraw/zinc/17/73/73/941177373.db2.gz SLJQBKJBPMMUST-NHCUHLMSSA-N 1 1 408.594 4.315 20 30 HIEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000549541980 941198775 /nfs/dbraw/zinc/19/87/75/941198775.db2.gz JIMWLLZMSSEUBJ-BEFAXECRSA-N 1 1 416.447 4.270 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549684609 941204413 /nfs/dbraw/zinc/20/44/13/941204413.db2.gz ZZDDUJKODDLWSC-FYYLOGMGSA-N 1 1 421.589 4.024 20 30 HIEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549684612 941204434 /nfs/dbraw/zinc/20/44/34/941204434.db2.gz ZZDDUJKODDLWSC-JTHBVZDNSA-N 1 1 421.589 4.024 20 30 HIEDMO N#Cc1cnn2cc(C[NH2+][C@H](c3ccccc3)c3ccc(Br)cc3)cnc12 ZINC000550847111 941374083 /nfs/dbraw/zinc/37/40/83/941374083.db2.gz NSFKTEJQLWVDIO-HXUWFJFHSA-N 1 1 418.298 4.243 20 30 HIEDMO C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1OC ZINC000551086524 941406798 /nfs/dbraw/zinc/40/67/98/941406798.db2.gz SENMNCFMONSTSF-QFIPXVFZSA-N 1 1 423.557 4.038 20 30 HIEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275744 941441394 /nfs/dbraw/zinc/44/13/94/941441394.db2.gz ZQPLUNUBFLOHEG-MKXGPGLRSA-N 1 1 407.480 4.194 20 30 HIEDMO N#Cc1cccc(C2([NH2+]CC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)CC2)c1 ZINC000551410943 941472175 /nfs/dbraw/zinc/47/21/75/941472175.db2.gz KACIBASMHXGWSL-IBGZPJMESA-N 1 1 416.506 4.169 20 30 HIEDMO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](Cc4ccc(C#N)cc4)C4CC4)nc(N)c23)C1 ZINC000554351349 942110721 /nfs/dbraw/zinc/11/07/21/942110721.db2.gz DVVSMTQDPXILEJ-OAHLLOKOSA-N 1 1 417.582 4.477 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)c4ccccc4n3)CC2)cc1 ZINC000555552398 942641252 /nfs/dbraw/zinc/64/12/52/942641252.db2.gz DTYAWBDPYKBQOP-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)c4ccccc4n3)CC2)cc1 ZINC000555552398 942641264 /nfs/dbraw/zinc/64/12/64/942641264.db2.gz DTYAWBDPYKBQOP-UHFFFAOYSA-N 1 1 404.901 4.108 20 30 HIEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556981415 942987097 /nfs/dbraw/zinc/98/70/97/942987097.db2.gz BGZNQYNIOVZMNN-QFIPXVFZSA-N 1 1 419.573 4.191 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000557609677 943229350 /nfs/dbraw/zinc/22/93/50/943229350.db2.gz ZNEXWGUITJNXBQ-UHFFFAOYSA-N 1 1 414.460 4.201 20 30 HIEDMO Cc1cc(C#N)nc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000557640544 943244315 /nfs/dbraw/zinc/24/43/15/943244315.db2.gz KJGQCAQTZFXGGM-JOCHJYFZSA-N 1 1 403.917 4.222 20 30 HIEDMO Cc1nc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C(F)(F)F ZINC000557695380 943261187 /nfs/dbraw/zinc/26/11/87/943261187.db2.gz SFJVSHYMJLKXCW-UHFFFAOYSA-N 1 1 423.464 4.082 20 30 HIEDMO Cc1nc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C(F)(F)F ZINC000557695380 943261193 /nfs/dbraw/zinc/26/11/93/943261193.db2.gz SFJVSHYMJLKXCW-UHFFFAOYSA-N 1 1 423.464 4.082 20 30 HIEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1=O ZINC000558180900 943413580 /nfs/dbraw/zinc/41/35/80/943413580.db2.gz RIORCTOVAWBXOS-FQEVSTJZSA-N 1 1 408.502 4.225 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000558448030 943562028 /nfs/dbraw/zinc/56/20/28/943562028.db2.gz ORXDGKFLOXOFGP-YVNJGZBMSA-N 1 1 409.578 4.223 20 30 HIEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000558454831 943564636 /nfs/dbraw/zinc/56/46/36/943564636.db2.gz ONBNUACJIVRRJX-HXUWFJFHSA-N 1 1 412.541 4.104 20 30 HIEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000558672792 943626234 /nfs/dbraw/zinc/62/62/34/943626234.db2.gz NWOCJHHLSBGYDJ-UHFFFAOYSA-N 1 1 423.586 4.044 20 30 HIEDMO C=CCn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000558675451 943626876 /nfs/dbraw/zinc/62/68/76/943626876.db2.gz CPMFCCLBRDNYCH-UHFFFAOYSA-N 1 1 419.520 4.149 20 30 HIEDMO CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000558744319 943638043 /nfs/dbraw/zinc/63/80/43/943638043.db2.gz PUHMBMGJWMVLNI-UHFFFAOYSA-N 1 1 419.953 4.030 20 30 HIEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000559022655 943807624 /nfs/dbraw/zinc/80/76/24/943807624.db2.gz OGMFZNPUKJXLNB-UHFFFAOYSA-N 1 1 401.624 4.455 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000559131381 943850638 /nfs/dbraw/zinc/85/06/38/943850638.db2.gz ZDAOKWVDWXPKQS-RKVPGOIHSA-N 1 1 419.451 4.126 20 30 HIEDMO N#Cc1cc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cnc1C(F)(F)F ZINC000561111140 944459939 /nfs/dbraw/zinc/45/99/39/944459939.db2.gz HMQFEKVKCWWFGF-UHFFFAOYSA-N 1 1 423.398 4.182 20 30 HIEDMO C[N@H+](CCCOc1ccc(F)cc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000561310793 944546367 /nfs/dbraw/zinc/54/63/67/944546367.db2.gz QBXQLOYAHYOFOJ-UHFFFAOYSA-N 1 1 403.885 4.127 20 30 HIEDMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000561310793 944546373 /nfs/dbraw/zinc/54/63/73/944546373.db2.gz QBXQLOYAHYOFOJ-UHFFFAOYSA-N 1 1 403.885 4.127 20 30 HIEDMO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2c1 ZINC000561348502 944559064 /nfs/dbraw/zinc/55/90/64/944559064.db2.gz KEOCLEHZDXEODN-MRXNPFEDSA-N 1 1 417.513 4.040 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1Cl ZINC000561902634 944847349 /nfs/dbraw/zinc/84/73/49/944847349.db2.gz VGJJWULIVLKSBB-SFHVURJKSA-N 1 1 413.909 4.418 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1Cl ZINC000561902634 944847357 /nfs/dbraw/zinc/84/73/57/944847357.db2.gz VGJJWULIVLKSBB-SFHVURJKSA-N 1 1 413.909 4.418 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000561975972 944882743 /nfs/dbraw/zinc/88/27/43/944882743.db2.gz XOPNDXQXMFNJEQ-JOCHJYFZSA-N 1 1 403.526 4.074 20 30 HIEDMO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000562024739 944899855 /nfs/dbraw/zinc/89/98/55/944899855.db2.gz MXHIRFIOYYXSBE-PGRDOPGGSA-N 1 1 417.557 4.430 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045227 944909445 /nfs/dbraw/zinc/90/94/45/944909445.db2.gz AWKZWCDLEIJGMR-UYAOXDASSA-N 1 1 420.582 4.156 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000562045227 944909455 /nfs/dbraw/zinc/90/94/55/944909455.db2.gz AWKZWCDLEIJGMR-UYAOXDASSA-N 1 1 420.582 4.156 20 30 HIEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000562168057 944996174 /nfs/dbraw/zinc/99/61/74/944996174.db2.gz CAIRQYKGPCKWPZ-UHFFFAOYSA-N 1 1 402.498 4.060 20 30 HIEDMO N#Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000562234568 945035460 /nfs/dbraw/zinc/03/54/60/945035460.db2.gz XEDOPVPQHIJWST-UHFFFAOYSA-N 1 1 415.291 4.305 20 30 HIEDMO Cc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n(-c2ccccc2F)n1 ZINC000562238048 945036351 /nfs/dbraw/zinc/03/63/51/945036351.db2.gz ZPVVLMZIEZCVAQ-UHFFFAOYSA-N 1 1 405.477 4.041 20 30 HIEDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n(-c2ccccc2F)n1 ZINC000562238048 945036364 /nfs/dbraw/zinc/03/63/64/945036364.db2.gz ZPVVLMZIEZCVAQ-UHFFFAOYSA-N 1 1 405.477 4.041 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)c1C#N ZINC000562244025 945040306 /nfs/dbraw/zinc/04/03/06/945040306.db2.gz WUIBXDXRRJNAEW-UHFFFAOYSA-N 1 1 412.578 4.313 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC3(CCOCC3)C2)c1C#N ZINC000562244025 945040316 /nfs/dbraw/zinc/04/03/16/945040316.db2.gz WUIBXDXRRJNAEW-UHFFFAOYSA-N 1 1 412.578 4.313 20 30 HIEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000564416079 945568616 /nfs/dbraw/zinc/56/86/16/945568616.db2.gz XFLWSTNJXZWRTP-IAGOWNOFSA-N 1 1 417.475 4.476 20 30 HIEDMO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000565120946 945778576 /nfs/dbraw/zinc/77/85/76/945778576.db2.gz OMKQMUVGGULGFP-UHFFFAOYSA-N 1 1 418.570 4.085 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087316 946238539 /nfs/dbraw/zinc/23/85/39/946238539.db2.gz PRGWEEZOPXCZDR-WIYYLYMNSA-N 1 1 413.587 4.251 20 30 HIEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000567802497 946415817 /nfs/dbraw/zinc/41/58/17/946415817.db2.gz HDACIIVJOBQFDU-UHFFFAOYSA-N 1 1 419.447 4.307 20 30 HIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812555 946710515 /nfs/dbraw/zinc/71/05/15/946710515.db2.gz REQMPKALTXUEFK-RBBKRZOGSA-N 1 1 405.542 4.285 20 30 HIEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000572169537 947854968 /nfs/dbraw/zinc/85/49/68/947854968.db2.gz XVHMCXSFJBBKLG-IBGZPJMESA-N 1 1 407.587 4.217 20 30 HIEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955015 948800816 /nfs/dbraw/zinc/80/08/16/948800816.db2.gz QXWWSHIVPQFDAT-QPPBQGQZSA-N 1 1 416.481 4.113 20 30 HIEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629054 719089762 /nfs/dbraw/zinc/08/97/62/719089762.db2.gz QPOYYEVVBRBVJC-KNQAVFIVSA-N 1 1 417.557 4.039 20 30 HIEDMO N#Cc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629037 719110469 /nfs/dbraw/zinc/11/04/69/719110469.db2.gz QNTMSCBKEVRFLX-FDDCHVKYSA-N 1 1 413.481 4.115 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722108 720336216 /nfs/dbraw/zinc/33/62/16/720336216.db2.gz FBBOCRZIRDAVQN-HOTGVXAUSA-N 1 1 424.282 4.053 20 30 HIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722108 720336221 /nfs/dbraw/zinc/33/62/21/720336221.db2.gz FBBOCRZIRDAVQN-HOTGVXAUSA-N 1 1 424.282 4.053 20 30 HIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164725335 720490679 /nfs/dbraw/zinc/49/06/79/720490679.db2.gz JUHUNRYJKBQUOB-UXHICEINSA-N 1 1 421.907 4.456 20 30 HIEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900528 721520425 /nfs/dbraw/zinc/52/04/25/721520425.db2.gz RVZVPCAJPAXLPE-GOEBONIOSA-N 1 1 421.303 4.050 20 30 HIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]21 ZINC001165028961 721830255 /nfs/dbraw/zinc/83/02/55/721830255.db2.gz WAIBVYBOIRTFAW-UCLAIMLFSA-N 1 1 416.356 4.392 20 30 HIEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165046693 721962135 /nfs/dbraw/zinc/96/21/35/721962135.db2.gz MYWNCDBEOLXMHC-UHFFFAOYSA-N 1 1 410.880 4.100 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C#N ZINC000007789411 845411657 /nfs/dbraw/zinc/41/16/57/845411657.db2.gz TTWRPVCVZIIXGT-UHFFFAOYSA-N 1 1 420.488 4.360 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C#N ZINC000007789411 845411664 /nfs/dbraw/zinc/41/16/64/845411664.db2.gz TTWRPVCVZIIXGT-UHFFFAOYSA-N 1 1 420.488 4.360 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3nc4ccccc4o3)C1)CCC2 ZINC000024668184 846851803 /nfs/dbraw/zinc/85/18/03/846851803.db2.gz FBKWNOQQYCOKLD-OAHLLOKOSA-N 1 1 420.538 4.458 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000026331114 847126105 /nfs/dbraw/zinc/12/61/05/847126105.db2.gz DNIKBEGOSZZPGW-GOSISDBHSA-N 1 1 401.510 4.199 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000026331114 847126113 /nfs/dbraw/zinc/12/61/13/847126113.db2.gz DNIKBEGOSZZPGW-GOSISDBHSA-N 1 1 401.510 4.199 20 30 HIEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000028896377 847474025 /nfs/dbraw/zinc/47/40/25/847474025.db2.gz IGDCZKHPQUUWRE-UHFFFAOYSA-N 1 1 412.921 4.036 20 30 HIEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000028896377 847474033 /nfs/dbraw/zinc/47/40/33/847474033.db2.gz IGDCZKHPQUUWRE-UHFFFAOYSA-N 1 1 412.921 4.036 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000028960661 847484226 /nfs/dbraw/zinc/48/42/26/847484226.db2.gz TWMKHVWNIPISEA-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028960698 847484637 /nfs/dbraw/zinc/48/46/37/847484637.db2.gz BXBJBYPBERCWGP-UHFFFAOYSA-N 1 1 417.340 4.011 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4Cl)on3)CC2)cc1 ZINC000029093644 847503876 /nfs/dbraw/zinc/50/38/76/847503876.db2.gz FICAZAUZOHSVRM-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4Cl)on3)CC2)cc1 ZINC000029093644 847503879 /nfs/dbraw/zinc/50/38/79/847503879.db2.gz FICAZAUZOHSVRM-UHFFFAOYSA-N 1 1 420.900 4.215 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825654 847627009 /nfs/dbraw/zinc/62/70/09/847627009.db2.gz GEYNHNZGXDTDDW-MRXNPFEDSA-N 1 1 406.511 4.262 20 30 HIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825654 847627012 /nfs/dbraw/zinc/62/70/12/847627012.db2.gz GEYNHNZGXDTDDW-MRXNPFEDSA-N 1 1 406.511 4.262 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000029985362 847664297 /nfs/dbraw/zinc/66/42/97/847664297.db2.gz MKKJJAOIPWFTQH-UHFFFAOYSA-N 1 1 420.513 4.169 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000029985362 847664302 /nfs/dbraw/zinc/66/43/02/847664302.db2.gz MKKJJAOIPWFTQH-UHFFFAOYSA-N 1 1 420.513 4.169 20 30 HIEDMO Cc1nnc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c(C#N)c1C ZINC000030520858 847727099 /nfs/dbraw/zinc/72/70/99/847727099.db2.gz NFIAFQAWHTYTKK-UHFFFAOYSA-N 1 1 407.518 4.155 20 30 HIEDMO C[N@@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](c2ccccc2)C1 ZINC000032058961 847984111 /nfs/dbraw/zinc/98/41/11/847984111.db2.gz AHJUJHSQOXBHMF-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO C[N@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](c2ccccc2)C1 ZINC000032058961 847984119 /nfs/dbraw/zinc/98/41/19/847984119.db2.gz AHJUJHSQOXBHMF-VWLOTQADSA-N 1 1 411.505 4.266 20 30 HIEDMO CC(C)C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)[NH+]1CCOCC1 ZINC000032058218 847984229 /nfs/dbraw/zinc/98/42/29/847984229.db2.gz ARASTYYHRSEQLD-FQEVSTJZSA-N 1 1 423.582 4.186 20 30 HIEDMO CC[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000032447113 848028906 /nfs/dbraw/zinc/02/89/06/848028906.db2.gz DMHRWHPRLZKZFA-IBGZPJMESA-N 1 1 420.582 4.119 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032478234 848035933 /nfs/dbraw/zinc/03/59/33/848035933.db2.gz NKIVRUADCGMLOZ-UHFFFAOYSA-N 1 1 411.505 4.095 20 30 HIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000042741039 848350373 /nfs/dbraw/zinc/35/03/73/848350373.db2.gz ZNLRVJOTSYPVKT-GOSISDBHSA-N 1 1 406.530 4.062 20 30 HIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000042741039 848350382 /nfs/dbraw/zinc/35/03/82/848350382.db2.gz ZNLRVJOTSYPVKT-GOSISDBHSA-N 1 1 406.530 4.062 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)cc1 ZINC000043606004 848443444 /nfs/dbraw/zinc/44/34/44/848443444.db2.gz XBZXDJJNGCKBJU-UHFFFAOYSA-N 1 1 409.559 4.023 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)cc1 ZINC000043606004 848443457 /nfs/dbraw/zinc/44/34/57/848443457.db2.gz XBZXDJJNGCKBJU-UHFFFAOYSA-N 1 1 409.559 4.023 20 30 HIEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046374539 848835356 /nfs/dbraw/zinc/83/53/56/848835356.db2.gz JOKOQKUPKDWLNN-LJQANCHMSA-N 1 1 406.530 4.328 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000046530191 848868021 /nfs/dbraw/zinc/86/80/21/848868021.db2.gz GHAGERRVJFRSLD-SFHVURJKSA-N 1 1 401.510 4.199 20 30 HIEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000046530191 848868027 /nfs/dbraw/zinc/86/80/27/848868027.db2.gz GHAGERRVJFRSLD-SFHVURJKSA-N 1 1 401.510 4.199 20 30 HIEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000047570453 849074036 /nfs/dbraw/zinc/07/40/36/849074036.db2.gz RQJSTSINFAQEMG-UHFFFAOYSA-N 1 1 403.486 4.048 20 30 HIEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161982 849183952 /nfs/dbraw/zinc/18/39/52/849183952.db2.gz GJNVEQMVOBZIRN-UHFFFAOYSA-N 1 1 403.486 4.048 20 30 HIEDMO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048739688 849261469 /nfs/dbraw/zinc/26/14/69/849261469.db2.gz PETHBCDPAQHDQD-UHFFFAOYSA-N 1 1 411.937 4.017 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132771 849434204 /nfs/dbraw/zinc/43/42/04/849434204.db2.gz DAMQTQICBXZNNR-WMZHIEFXSA-N 1 1 409.555 4.340 20 30 HIEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCCCC1 ZINC000052993584 849653097 /nfs/dbraw/zinc/65/30/97/849653097.db2.gz ICSUKVYEWUTRCI-UHFFFAOYSA-N 1 1 400.910 4.003 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962666 849783030 /nfs/dbraw/zinc/78/30/30/849783030.db2.gz XUXINLJXKDBMEG-OAQYLSRUSA-N 1 1 406.555 4.013 20 30 HIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC(F)F)cc1 ZINC000054425276 849864884 /nfs/dbraw/zinc/86/48/84/849864884.db2.gz SBHKOETYBSMGJM-UHFFFAOYSA-N 1 1 405.470 4.170 20 30 HIEDMO COc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000054642909 849898296 /nfs/dbraw/zinc/89/82/96/849898296.db2.gz QORFVSQBPZISBL-UHFFFAOYSA-N 1 1 418.566 4.398 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)CC2)cc1 ZINC000056291456 850314380 /nfs/dbraw/zinc/31/43/80/850314380.db2.gz LWQBNGLWIUFVJJ-UHFFFAOYSA-N 1 1 410.880 4.180 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)CC2)cc1 ZINC000056291456 850314388 /nfs/dbraw/zinc/31/43/88/850314388.db2.gz LWQBNGLWIUFVJJ-UHFFFAOYSA-N 1 1 410.880 4.180 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000056900969 850513554 /nfs/dbraw/zinc/51/35/54/850513554.db2.gz BDRRWNJZCVQFOC-QFIPXVFZSA-N 1 1 408.933 4.116 20 30 HIEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1Cl ZINC000060269443 851056952 /nfs/dbraw/zinc/05/69/52/851056952.db2.gz WEOWKMWTHDYPEA-HXUWFJFHSA-N 1 1 415.896 4.361 20 30 HIEDMO CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000060575994 851153079 /nfs/dbraw/zinc/15/30/79/851153079.db2.gz DRZXESKEHQNBHU-UHFFFAOYSA-N 1 1 424.976 4.407 20 30 HIEDMO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000061470131 851386361 /nfs/dbraw/zinc/38/63/61/851386361.db2.gz RCRBANKJNLAYBX-UHFFFAOYSA-N 1 1 415.562 4.289 20 30 HIEDMO Cc1ccccc1C[N@H+]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063498009 851703346 /nfs/dbraw/zinc/70/33/46/851703346.db2.gz WOOIREONSZUJJX-UHFFFAOYSA-N 1 1 410.949 4.057 20 30 HIEDMO Cc1ccccc1CN1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063498009 851703348 /nfs/dbraw/zinc/70/33/48/851703348.db2.gz WOOIREONSZUJJX-UHFFFAOYSA-N 1 1 410.949 4.057 20 30 HIEDMO Cc1ccccc1CN1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063498009 851703354 /nfs/dbraw/zinc/70/33/54/851703354.db2.gz WOOIREONSZUJJX-UHFFFAOYSA-N 1 1 410.949 4.057 20 30 HIEDMO COCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753964 851756191 /nfs/dbraw/zinc/75/61/91/851756191.db2.gz BBIGXNDKNSYWIN-UHFFFAOYSA-N 1 1 406.313 4.342 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2ccccc2F)s1 ZINC000064988124 852035302 /nfs/dbraw/zinc/03/53/02/852035302.db2.gz XIEVMRMYEFTNMA-UHFFFAOYSA-N 1 1 412.534 4.421 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c1 ZINC000065957114 852331998 /nfs/dbraw/zinc/33/19/98/852331998.db2.gz RJNJAMPEKKUBIW-UHFFFAOYSA-N 1 1 404.558 4.151 20 30 HIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000096966463 852564833 /nfs/dbraw/zinc/56/48/33/852564833.db2.gz NRRNTSODPPVQGS-GOSISDBHSA-N 1 1 412.497 4.011 20 30 HIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000096966463 852564838 /nfs/dbraw/zinc/56/48/38/852564838.db2.gz NRRNTSODPPVQGS-GOSISDBHSA-N 1 1 412.497 4.011 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)cc1 ZINC000105305933 852697142 /nfs/dbraw/zinc/69/71/42/852697142.db2.gz DSPVZIAEQNOXNL-UHFFFAOYSA-N 1 1 405.517 4.244 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)cc1 ZINC000105305933 852697147 /nfs/dbraw/zinc/69/71/47/852697147.db2.gz DSPVZIAEQNOXNL-UHFFFAOYSA-N 1 1 405.517 4.244 20 30 HIEDMO C=CCOc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1OC ZINC000108990216 852904987 /nfs/dbraw/zinc/90/49/87/852904987.db2.gz PRRGACZOWLDEFV-JXMROGBWSA-N 1 1 421.472 4.223 20 30 HIEDMO CC(C)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000109404940 852965559 /nfs/dbraw/zinc/96/55/59/852965559.db2.gz DKOMHUXWISHMAO-NRFANRHFSA-N 1 1 416.481 4.333 20 30 HIEDMO CC(C)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000109404940 852965565 /nfs/dbraw/zinc/96/55/65/852965565.db2.gz DKOMHUXWISHMAO-NRFANRHFSA-N 1 1 416.481 4.333 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000111020562 853188273 /nfs/dbraw/zinc/18/82/73/853188273.db2.gz ONZLPPMMMMLUJE-PMACEKPBSA-N 1 1 421.541 4.255 20 30 HIEDMO CCC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177722 853217547 /nfs/dbraw/zinc/21/75/47/853217547.db2.gz PIAKCRAVMRPFFI-JOCHJYFZSA-N 1 1 404.539 4.133 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000195548622 853677970 /nfs/dbraw/zinc/67/79/70/853677970.db2.gz DPDNIDFLGQVCRO-UHFFFAOYSA-N 1 1 421.507 4.355 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195604901 853708758 /nfs/dbraw/zinc/70/87/58/853708758.db2.gz CSZGBSZCHXFXQD-OAQYLSRUSA-N 1 1 415.459 4.021 20 30 HIEDMO N#Cc1ccc(CN2CCC[N@H+](CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000215886269 853839299 /nfs/dbraw/zinc/83/92/99/853839299.db2.gz APHCVCMAGQBLCC-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000215886269 853839303 /nfs/dbraw/zinc/83/93/03/853839303.db2.gz APHCVCMAGQBLCC-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000215886269 853839306 /nfs/dbraw/zinc/83/93/06/853839306.db2.gz APHCVCMAGQBLCC-UHFFFAOYSA-N 1 1 403.448 4.164 20 30 HIEDMO CC[NH+](CC)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000236852663 853929209 /nfs/dbraw/zinc/92/92/09/853929209.db2.gz BCGFXWAXKJKEQM-FQEVSTJZSA-N 1 1 415.463 4.397 20 30 HIEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236985386 853947650 /nfs/dbraw/zinc/94/76/50/853947650.db2.gz DGQMIYMWSUXAIH-OALUTQOASA-N 1 1 410.537 4.109 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000301097355 854295207 /nfs/dbraw/zinc/29/52/07/854295207.db2.gz WQGLBXNERJNMTN-UHFFFAOYSA-N 1 1 420.520 4.276 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000301106199 854297466 /nfs/dbraw/zinc/29/74/66/854297466.db2.gz TYIQVTGJBMCRFJ-UHFFFAOYSA-N 1 1 420.520 4.276 20 30 HIEDMO Cc1cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180404 854321405 /nfs/dbraw/zinc/32/14/05/854321405.db2.gz ZAJIVQQNKYUXIQ-HSZRJFAPSA-N 1 1 424.552 4.068 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000302895586 854669696 /nfs/dbraw/zinc/66/96/96/854669696.db2.gz GDDBNNHPVDGNPQ-UHFFFAOYSA-N 1 1 413.974 4.428 20 30 HIEDMO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000303816149 855218800 /nfs/dbraw/zinc/21/88/00/855218800.db2.gz ZYTCGXOWSOVBHE-KNQAVFIVSA-N 1 1 408.542 4.385 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303834294 855232186 /nfs/dbraw/zinc/23/21/86/855232186.db2.gz LYRWAQAZJPZGMX-RBUKOAKNSA-N 1 1 411.908 4.189 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000303834294 855232191 /nfs/dbraw/zinc/23/21/91/855232191.db2.gz LYRWAQAZJPZGMX-RBUKOAKNSA-N 1 1 411.908 4.189 20 30 HIEDMO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000303870964 855262539 /nfs/dbraw/zinc/26/25/39/855262539.db2.gz BMNVGRUHCSKNCX-RTBURBONSA-N 1 1 410.562 4.010 20 30 HIEDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426140875 856134588 /nfs/dbraw/zinc/13/45/88/856134588.db2.gz QNJJOMCKYBUJBR-IBGZPJMESA-N 1 1 400.910 4.043 20 30 HIEDMO N#Cc1ccc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000426155047 856143546 /nfs/dbraw/zinc/14/35/46/856143546.db2.gz VDXYLULVJDTWGU-UHFFFAOYSA-N 1 1 423.904 4.143 20 30 HIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)C[C@@H]3CCOC3)sc2C1 ZINC000426435709 856288984 /nfs/dbraw/zinc/28/89/84/856288984.db2.gz DNHRXPHHMANLGX-JKSUJKDBSA-N 1 1 403.592 4.068 20 30 HIEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000427005490 856591429 /nfs/dbraw/zinc/59/14/29/856591429.db2.gz SWUSUNKYSAULPY-GOSISDBHSA-N 1 1 401.432 4.111 20 30 HIEDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427013593 856595899 /nfs/dbraw/zinc/59/58/99/856595899.db2.gz BXRFWIXKGOIAML-LJQANCHMSA-N 1 1 405.395 4.092 20 30 HIEDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427013593 856595903 /nfs/dbraw/zinc/59/59/03/856595903.db2.gz BXRFWIXKGOIAML-LJQANCHMSA-N 1 1 405.395 4.092 20 30 HIEDMO Cc1nc(SCC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000437475911 862836511 /nfs/dbraw/zinc/83/65/11/862836511.db2.gz MVEUZNPYBDFPTL-KRWDZBQOSA-N 1 1 422.598 4.094 20 30 HIEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000427817111 856968662 /nfs/dbraw/zinc/96/86/62/856968662.db2.gz LANVZZBJLXVHHZ-DHIUTWEWSA-N 1 1 419.912 4.286 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437510017 862859599 /nfs/dbraw/zinc/85/95/99/862859599.db2.gz YFNLYEDTHKDDGT-CTNGQTDRSA-N 1 1 423.582 4.353 20 30 HIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437510017 862859600 /nfs/dbraw/zinc/85/96/00/862859600.db2.gz YFNLYEDTHKDDGT-CTNGQTDRSA-N 1 1 423.582 4.353 20 30 HIEDMO C[C@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428258084 857130245 /nfs/dbraw/zinc/13/02/45/857130245.db2.gz DGJATRNFAJOECV-CVDCTZTESA-N 1 1 422.598 4.144 20 30 HIEDMO CCOC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000428734048 857312546 /nfs/dbraw/zinc/31/25/46/857312546.db2.gz YBXIAORZYCZYBH-UHFFFAOYSA-N 1 1 400.567 4.311 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 ZINC000428770408 857328279 /nfs/dbraw/zinc/32/82/79/857328279.db2.gz FIRCMNVCYHZJQO-NRFANRHFSA-N 1 1 420.900 4.234 20 30 HIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 ZINC000428770408 857328288 /nfs/dbraw/zinc/32/82/88/857328288.db2.gz FIRCMNVCYHZJQO-NRFANRHFSA-N 1 1 420.900 4.234 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773993 857330874 /nfs/dbraw/zinc/33/08/74/857330874.db2.gz UEZVCMLZTVMGNO-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773993 857330877 /nfs/dbraw/zinc/33/08/77/857330877.db2.gz UEZVCMLZTVMGNO-QRWLVFNGSA-N 1 1 417.431 4.368 20 30 HIEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428802655 857350167 /nfs/dbraw/zinc/35/01/67/857350167.db2.gz HIRPRBUTYKXTTK-NRFANRHFSA-N 1 1 421.932 4.122 20 30 HIEDMO C[N@@H+](CCc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1)C1CC1 ZINC000429088624 857504497 /nfs/dbraw/zinc/50/44/97/857504497.db2.gz BESYYWBLGICWNX-UHFFFAOYSA-N 1 1 413.525 4.353 20 30 HIEDMO CC(C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000429242805 857570638 /nfs/dbraw/zinc/57/06/38/857570638.db2.gz AAHQISPBPMCMFJ-UHFFFAOYSA-N 1 1 400.866 4.020 20 30 HIEDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000429282389 857590231 /nfs/dbraw/zinc/59/02/31/857590231.db2.gz DWEQYXMDQHTANZ-KRWDZBQOSA-N 1 1 414.550 4.118 20 30 HIEDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000429282389 857590237 /nfs/dbraw/zinc/59/02/37/857590237.db2.gz DWEQYXMDQHTANZ-KRWDZBQOSA-N 1 1 414.550 4.118 20 30 HIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408535 857649618 /nfs/dbraw/zinc/64/96/18/857649618.db2.gz XAVFNYPDJBYNTQ-IRXDYDNUSA-N 1 1 414.619 4.022 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408531 857649808 /nfs/dbraw/zinc/64/98/08/857649808.db2.gz XAVFNYPDJBYNTQ-DLBZAZTESA-N 1 1 414.619 4.022 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c1C#N ZINC000429546718 857738191 /nfs/dbraw/zinc/73/81/91/857738191.db2.gz HRPNRLGUSIEMQP-UHFFFAOYSA-N 1 1 405.546 4.305 20 30 HIEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430671303 858261529 /nfs/dbraw/zinc/26/15/29/858261529.db2.gz WJNNOFOMGUZJFR-KWOQKUFVSA-N 1 1 405.542 4.131 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430926010 858372943 /nfs/dbraw/zinc/37/29/43/858372943.db2.gz MWIJGQKZFCUZMV-ZJSXRUAMSA-N 1 1 405.542 4.045 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430926010 858372947 /nfs/dbraw/zinc/37/29/47/858372947.db2.gz MWIJGQKZFCUZMV-ZJSXRUAMSA-N 1 1 405.542 4.045 20 30 HIEDMO COc1cc2c(c(OC)c1OC)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000431175059 858486899 /nfs/dbraw/zinc/48/68/99/858486899.db2.gz JVIDVTWAAJXJDN-UHFFFAOYSA-N 1 1 419.443 4.184 20 30 HIEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000431175059 858486904 /nfs/dbraw/zinc/48/69/04/858486904.db2.gz JVIDVTWAAJXJDN-UHFFFAOYSA-N 1 1 419.443 4.184 20 30 HIEDMO C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000432013026 858925999 /nfs/dbraw/zinc/92/59/99/858925999.db2.gz PAYLJSRNTISKHR-KRWDZBQOSA-N 1 1 405.498 4.174 20 30 HIEDMO COC(=O)C1([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCCC1 ZINC000432014813 858928941 /nfs/dbraw/zinc/92/89/41/858928941.db2.gz XRLNNCVEJMGACR-UHFFFAOYSA-N 1 1 408.498 4.063 20 30 HIEDMO COC(=O)C1([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCCC1 ZINC000432014813 858928946 /nfs/dbraw/zinc/92/89/46/858928946.db2.gz XRLNNCVEJMGACR-UHFFFAOYSA-N 1 1 408.498 4.063 20 30 HIEDMO N#CCCn1cc(C[NH2+]CC2(N3CCCCC3)CCCCC2)c(-c2ccncc2)n1 ZINC000433302053 859624967 /nfs/dbraw/zinc/62/49/67/859624967.db2.gz IAWBCMUDFICYPQ-UHFFFAOYSA-N 1 1 406.578 4.137 20 30 HIEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c(C#N)c1C ZINC000433311000 859633251 /nfs/dbraw/zinc/63/32/51/859633251.db2.gz KJVDQPIVSMWEON-MRXNPFEDSA-N 1 1 416.319 4.034 20 30 HIEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c(C#N)c1C ZINC000433311000 859633255 /nfs/dbraw/zinc/63/32/55/859633255.db2.gz KJVDQPIVSMWEON-MRXNPFEDSA-N 1 1 416.319 4.034 20 30 HIEDMO COc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700941 859843466 /nfs/dbraw/zinc/84/34/66/859843466.db2.gz YGPNCYYEHZJYLF-BJKOFHAPSA-N 1 1 415.468 4.190 20 30 HIEDMO C=CC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000434827439 860510592 /nfs/dbraw/zinc/51/05/92/860510592.db2.gz JZERFQLZKVMFIJ-UHFFFAOYSA-N 1 1 413.905 4.246 20 30 HIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000434837527 860514448 /nfs/dbraw/zinc/51/44/48/860514448.db2.gz UNHWHAPOROIRSG-UHFFFAOYSA-N 1 1 402.542 4.467 20 30 HIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000434837527 860514461 /nfs/dbraw/zinc/51/44/61/860514461.db2.gz UNHWHAPOROIRSG-UHFFFAOYSA-N 1 1 402.542 4.467 20 30 HIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986019 860587078 /nfs/dbraw/zinc/58/70/78/860587078.db2.gz FASGCMAVBWIQOZ-JPYJTQIMSA-N 1 1 401.514 4.450 20 30 HIEDMO CC1CCC([N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]2CCCO2)CC1 ZINC000435128051 860653697 /nfs/dbraw/zinc/65/36/97/860653697.db2.gz BETDLNFUDPLSJX-ZUEZHPSSSA-N 1 1 407.562 4.418 20 30 HIEDMO N#CCCn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccncc2)n1 ZINC000435130429 860655111 /nfs/dbraw/zinc/65/51/11/860655111.db2.gz RRIMZYPWUPPXEH-UHFFFAOYSA-N 1 1 417.357 4.175 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccncc2)n1 ZINC000435130429 860655114 /nfs/dbraw/zinc/65/51/14/860655114.db2.gz RRIMZYPWUPPXEH-UHFFFAOYSA-N 1 1 417.357 4.175 20 30 HIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435132224 860656080 /nfs/dbraw/zinc/65/60/80/860656080.db2.gz WBLZQMKGDITWSS-UHFFFAOYSA-N 1 1 409.921 4.413 20 30 HIEDMO C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435294566 860723946 /nfs/dbraw/zinc/72/39/46/860723946.db2.gz KNKKGPCSNPZHRF-NRFANRHFSA-N 1 1 416.525 4.456 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000435383623 860778837 /nfs/dbraw/zinc/77/88/37/860778837.db2.gz JKBIEHGTHNXPMM-HDICACEKSA-N 1 1 407.514 4.207 20 30 HIEDMO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000435383623 860778845 /nfs/dbraw/zinc/77/88/45/860778845.db2.gz JKBIEHGTHNXPMM-HDICACEKSA-N 1 1 407.514 4.207 20 30 HIEDMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435436660 860798245 /nfs/dbraw/zinc/79/82/45/860798245.db2.gz GUKFCIGIARMAOM-JLYLLQBASA-N 1 1 423.648 4.452 20 30 HIEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467766734 881583574 /nfs/dbraw/zinc/58/35/74/881583574.db2.gz DVPHGHNYWWIHNF-QHCPKHFHSA-N 1 1 408.498 4.289 20 30 HIEDMO Cc1oc(C#N)cc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000435688619 860969544 /nfs/dbraw/zinc/96/95/44/860969544.db2.gz RDPGRTMTBOBNJV-UHFFFAOYSA-N 1 1 405.420 4.215 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cc2)nc1 ZINC000437839568 863193987 /nfs/dbraw/zinc/19/39/87/863193987.db2.gz HROPDDBDHSFVJB-NRFANRHFSA-N 1 1 404.514 4.272 20 30 HIEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2)nc1 ZINC000437839569 863194696 /nfs/dbraw/zinc/19/46/96/863194696.db2.gz HROPDDBDHSFVJB-OAQYLSRUSA-N 1 1 404.514 4.272 20 30 HIEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437847385 863203046 /nfs/dbraw/zinc/20/30/46/863203046.db2.gz ZDRRFPJLZFQCBG-LJQANCHMSA-N 1 1 406.530 4.474 20 30 HIEDMO CC(C)(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000438368446 863829732 /nfs/dbraw/zinc/82/97/32/863829732.db2.gz BCMFGTSNEMKAGJ-UHFFFAOYSA-N 1 1 406.530 4.475 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000438852261 864347331 /nfs/dbraw/zinc/34/73/31/864347331.db2.gz MVGHVHCCVSOBSK-NRYAXDJKSA-N 1 1 419.573 4.265 20 30 HIEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000438852261 864347342 /nfs/dbraw/zinc/34/73/42/864347342.db2.gz MVGHVHCCVSOBSK-NRYAXDJKSA-N 1 1 419.573 4.265 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)sc2c1CCCC2 ZINC000439000332 864455257 /nfs/dbraw/zinc/45/52/57/864455257.db2.gz AAMFDGLPMLMXIU-DFQSSKMNSA-N 1 1 415.603 4.233 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000439003924 864458675 /nfs/dbraw/zinc/45/86/75/864458675.db2.gz ONSKBDHFMYHNDN-PVERMEFCSA-N 1 1 411.590 4.202 20 30 HIEDMO CCCc1c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669977 865000690 /nfs/dbraw/zinc/00/06/90/865000690.db2.gz GDOFYGHWPXWWEU-MSOLQXFVSA-N 1 1 408.550 4.081 20 30 HIEDMO CCCc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439682361 865017259 /nfs/dbraw/zinc/01/72/59/865017259.db2.gz DKBDKHPBBHMNFO-CTNGQTDRSA-N 1 1 420.561 4.175 20 30 HIEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440250695 865492061 /nfs/dbraw/zinc/49/20/61/865492061.db2.gz BFRWZOKZSDNWCL-XZOQPEGZSA-N 1 1 405.546 4.123 20 30 HIEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440250692 865492100 /nfs/dbraw/zinc/49/21/00/865492100.db2.gz BFRWZOKZSDNWCL-DHIUTWEWSA-N 1 1 405.546 4.123 20 30 HIEDMO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440437269 865739127 /nfs/dbraw/zinc/73/91/27/865739127.db2.gz HMPDUPYTHUMZQM-IBGZPJMESA-N 1 1 401.432 4.085 20 30 HIEDMO COc1cc(CNc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)ccc1C#N ZINC000440625582 865845497 /nfs/dbraw/zinc/84/54/97/865845497.db2.gz PDPXGAWWPKRYCW-INIZCTEOSA-N 1 1 410.493 4.131 20 30 HIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441329815 866401454 /nfs/dbraw/zinc/40/14/54/866401454.db2.gz DTMXVXDBXLXXGR-JPYJTQIMSA-N 1 1 408.521 4.364 20 30 HIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441518303 866594918 /nfs/dbraw/zinc/59/49/18/866594918.db2.gz APDYFYLTQVLEBA-UHFFFAOYSA-N 1 1 416.460 4.202 20 30 HIEDMO CCOc1ccc([C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c2cccc(Cl)c2)cc1 ZINC000443455276 868043852 /nfs/dbraw/zinc/04/38/52/868043852.db2.gz RBQHGZJZTJBINO-HXOBKFHXSA-N 1 1 413.949 4.426 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651619 868244737 /nfs/dbraw/zinc/24/47/37/868244737.db2.gz FGMWOCFTJAVVJL-QUCCMNQESA-N 1 1 410.489 4.315 20 30 HIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444215024 868669966 /nfs/dbraw/zinc/66/99/66/868669966.db2.gz SAWDIDAYPCAGEE-MJGOQNOKSA-N 1 1 401.576 4.300 20 30 HIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444233974 868683177 /nfs/dbraw/zinc/68/31/77/868683177.db2.gz CBBWBAJAENXUMA-MSOLQXFVSA-N 1 1 411.571 4.448 20 30 HIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248074 868694778 /nfs/dbraw/zinc/69/47/78/868694778.db2.gz VWEVALJHIUZIOS-DHIUTWEWSA-N 1 1 413.525 4.259 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000444339619 868768292 /nfs/dbraw/zinc/76/82/92/868768292.db2.gz JTAJGANFHUXNIP-QGZVFWFLSA-N 1 1 419.554 4.346 20 30 HIEDMO Cc1nc(CN2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000444592032 868893244 /nfs/dbraw/zinc/89/32/44/868893244.db2.gz FNXJOFPQNVDSDN-UHFFFAOYSA-N 1 1 416.594 4.469 20 30 HIEDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667204 868945860 /nfs/dbraw/zinc/94/58/60/868945860.db2.gz SIHSNEZJBQZKBP-DSNGMDLFSA-N 1 1 403.570 4.070 20 30 HIEDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000444674930 868953112 /nfs/dbraw/zinc/95/31/12/868953112.db2.gz KVNVOHZDAMFBPX-YZEMWESSSA-N 1 1 417.504 4.401 20 30 HIEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000444726558 868980366 /nfs/dbraw/zinc/98/03/66/868980366.db2.gz AZSBJZROJMOLJN-GDBMZVCRSA-N 1 1 407.358 4.097 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000447342515 871242067 /nfs/dbraw/zinc/24/20/67/871242067.db2.gz UNEXQSNPETYZKT-IVZQSRNASA-N 1 1 417.525 4.374 20 30 HIEDMO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCOCC2)c1F ZINC000447356022 871261222 /nfs/dbraw/zinc/26/12/22/871261222.db2.gz RFHCMCMTJDNFFN-UHFFFAOYSA-N 1 1 406.404 4.103 20 30 HIEDMO COc1cccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCOCC2)c1F ZINC000447358446 871263077 /nfs/dbraw/zinc/26/30/77/871263077.db2.gz YQZFZXVQTSQNJH-UHFFFAOYSA-N 1 1 419.294 4.264 20 30 HIEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000448196689 872082672 /nfs/dbraw/zinc/08/26/72/872082672.db2.gz AIKDTYVKYLNSRX-RDPSFJRHSA-N 1 1 401.510 4.439 20 30 HIEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448451760 872398938 /nfs/dbraw/zinc/39/89/38/872398938.db2.gz ZOEMJCKGUMBNJS-PXDATVDWSA-N 1 1 415.537 4.226 20 30 HIEDMO CSCC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000460346957 872965587 /nfs/dbraw/zinc/96/55/87/872965587.db2.gz BRSARSKQIBFYBJ-KRWDZBQOSA-N 1 1 404.461 4.184 20 30 HIEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460370907 873005374 /nfs/dbraw/zinc/00/53/74/873005374.db2.gz SBGQRSPTQZEAAV-NFBKMPQASA-N 1 1 416.573 4.406 20 30 HIEDMO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460380209 873021121 /nfs/dbraw/zinc/02/11/21/873021121.db2.gz MDWFNCILHIJNAU-XMSQKQJNSA-N 1 1 406.578 4.093 20 30 HIEDMO CC(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460626396 873368368 /nfs/dbraw/zinc/36/83/68/873368368.db2.gz NICUBHBKWPJXIP-UHFFFAOYSA-N 1 1 408.594 4.107 20 30 HIEDMO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460923055 873827019 /nfs/dbraw/zinc/82/70/19/873827019.db2.gz CARZZHMMJNKLJL-UHFFFAOYSA-N 1 1 412.541 4.105 20 30 HIEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460947880 873845819 /nfs/dbraw/zinc/84/58/19/873845819.db2.gz HMCQJEDXBQEDRN-UHFFFAOYSA-N 1 1 413.541 4.027 20 30 HIEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961157 873857116 /nfs/dbraw/zinc/85/71/16/873857116.db2.gz UYBQRUUCMKHWKS-NNWRFLSQSA-N 1 1 409.578 4.195 20 30 HIEDMO COc1ccc(OC)c(C[NH+]2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000461447910 874506022 /nfs/dbraw/zinc/50/60/22/874506022.db2.gz WZAKJAPQVLSUSW-UHFFFAOYSA-N 1 1 422.916 4.099 20 30 HIEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCc2sccc2C1 ZINC000468798671 882864612 /nfs/dbraw/zinc/86/46/12/882864612.db2.gz CLQUMXUVUKHRBG-KRWDZBQOSA-N 1 1 406.555 4.183 20 30 HIEDMO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@H+]1CCc2sccc2C1 ZINC000468798671 882864613 /nfs/dbraw/zinc/86/46/13/882864613.db2.gz CLQUMXUVUKHRBG-KRWDZBQOSA-N 1 1 406.555 4.183 20 30 HIEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462123087 875226650 /nfs/dbraw/zinc/22/66/50/875226650.db2.gz VHUGVDLTKVLMKY-AWEZNQCLSA-N 1 1 400.336 4.015 20 30 HIEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237497 875350406 /nfs/dbraw/zinc/35/04/06/875350406.db2.gz LODOMZQGYXRXRR-AUSIDOKSSA-N 1 1 413.525 4.252 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210637 876269717 /nfs/dbraw/zinc/26/97/17/876269717.db2.gz OIKSLFBBGSDDDH-CEMLEFRQSA-N 1 1 417.981 4.301 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000468947683 883013734 /nfs/dbraw/zinc/01/37/34/883013734.db2.gz JTHRKGGAYAOUNL-STQMWFEESA-N 1 1 402.292 4.007 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccc(F)c(F)c2)c1 ZINC000463246128 876303467 /nfs/dbraw/zinc/30/34/67/876303467.db2.gz HHJIFMHYFJMYKX-FNXXIHLHSA-N 1 1 404.482 4.130 20 30 HIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000464628367 877845865 /nfs/dbraw/zinc/84/58/65/877845865.db2.gz YFLKUGLGYHVLFA-AWEZNQCLSA-N 1 1 413.591 4.438 20 30 HIEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410694 912394315 /nfs/dbraw/zinc/39/43/15/912394315.db2.gz YGMWNXWTZVLOEI-SFHVURJKSA-N 1 1 410.587 4.316 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466010696 879690392 /nfs/dbraw/zinc/69/03/92/879690392.db2.gz NTFBTVRQGTVULC-UHFFFAOYSA-N 1 1 402.498 4.125 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466010696 879690397 /nfs/dbraw/zinc/69/03/97/879690397.db2.gz NTFBTVRQGTVULC-UHFFFAOYSA-N 1 1 402.498 4.125 20 30 HIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466602901 880371756 /nfs/dbraw/zinc/37/17/56/880371756.db2.gz YYUFUMTUOGJRMH-IBGZPJMESA-N 1 1 421.545 4.460 20 30 HIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1cccs1 ZINC000466611039 880381759 /nfs/dbraw/zinc/38/17/59/880381759.db2.gz RTPSTYNAZQBBLG-QFBILLFUSA-N 1 1 413.547 4.030 20 30 HIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466614499 880385660 /nfs/dbraw/zinc/38/56/60/880385660.db2.gz SXVHPRUZRLGKBB-INIZCTEOSA-N 1 1 404.474 4.141 20 30 HIEDMO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000467029957 880829572 /nfs/dbraw/zinc/82/95/72/880829572.db2.gz XRSGUZIHHOAVSY-RXVVDRJESA-N 1 1 415.493 4.123 20 30 HIEDMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467199160 880928254 /nfs/dbraw/zinc/92/82/54/880928254.db2.gz XQNRHIJCLMDULO-KRWDZBQOSA-N 1 1 415.497 4.328 20 30 HIEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)CC2 ZINC000467209580 880939232 /nfs/dbraw/zinc/93/92/32/880939232.db2.gz XPLQJVGCSLKPSH-KSZLIROESA-N 1 1 414.619 4.020 20 30 HIEDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467273811 881017107 /nfs/dbraw/zinc/01/71/07/881017107.db2.gz SSZSIKHALNCPAD-QGZVFWFLSA-N 1 1 403.592 4.356 20 30 HIEDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467281603 881028950 /nfs/dbraw/zinc/02/89/50/881028950.db2.gz WNDHMOJRZUOQHK-IRXDYDNUSA-N 1 1 403.592 4.212 20 30 HIEDMO N#Cc1cccc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)on2)c1 ZINC000469156006 883253827 /nfs/dbraw/zinc/25/38/27/883253827.db2.gz UVQREBMPIOLKQA-FRIKZZABSA-N 1 1 412.493 4.139 20 30 HIEDMO N#CCCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000469425437 883604303 /nfs/dbraw/zinc/60/43/03/883604303.db2.gz AWHMFFOURBBLBZ-OAQYLSRUSA-N 1 1 400.526 4.339 20 30 HIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469739646 883896454 /nfs/dbraw/zinc/89/64/54/883896454.db2.gz NEJQDVXJGGAOOL-HNNXBMFYSA-N 1 1 416.319 4.055 20 30 HIEDMO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000469771298 883945085 /nfs/dbraw/zinc/94/50/85/883945085.db2.gz ZGIPQUDEZFPYBJ-QHCPKHFHSA-N 1 1 407.464 4.117 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000469771298 883945094 /nfs/dbraw/zinc/94/50/94/883945094.db2.gz ZGIPQUDEZFPYBJ-QHCPKHFHSA-N 1 1 407.464 4.117 20 30 HIEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(c3nccs3)CCCC2)ccc1Cl ZINC000470196966 884506163 /nfs/dbraw/zinc/50/61/63/884506163.db2.gz XJVVJHSMTHDWOP-UHFFFAOYSA-N 1 1 402.951 4.411 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000470216643 884543418 /nfs/dbraw/zinc/54/34/18/884543418.db2.gz UOZYSSGXRSUVPJ-SFHVURJKSA-N 1 1 407.489 4.294 20 30 HIEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000503954400 912882444 /nfs/dbraw/zinc/88/24/44/912882444.db2.gz YFUGUSGLHBDESB-FQEVSTJZSA-N 1 1 406.486 4.106 20 30 HIEDMO Cn1cc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000470926401 885432378 /nfs/dbraw/zinc/43/23/78/885432378.db2.gz PZQRXLPGCJVJJO-QFIPXVFZSA-N 1 1 404.489 4.279 20 30 HIEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471021801 885527399 /nfs/dbraw/zinc/52/73/99/885527399.db2.gz ZEQXAKVZJQHIAO-OAQYLSRUSA-N 1 1 422.573 4.058 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000471022487 885529509 /nfs/dbraw/zinc/52/95/09/885529509.db2.gz ODGJXGNKRISJAE-CVDCTZTESA-N 1 1 404.514 4.066 20 30 HIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000471022487 885529521 /nfs/dbraw/zinc/52/95/21/885529521.db2.gz ODGJXGNKRISJAE-CVDCTZTESA-N 1 1 404.514 4.066 20 30 HIEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000471153951 885703522 /nfs/dbraw/zinc/70/35/22/885703522.db2.gz JJYHFBVSBKEMCU-FQEVSTJZSA-N 1 1 417.340 4.204 20 30 HIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c1C ZINC000471164358 885719543 /nfs/dbraw/zinc/71/95/43/885719543.db2.gz FMXNMGIKOQFMFM-QHCPKHFHSA-N 1 1 404.558 4.151 20 30 HIEDMO COc1ccc2c(c1)nc(C[NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)n2C ZINC000472126348 886916899 /nfs/dbraw/zinc/91/68/99/886916899.db2.gz OIZAFISKVZBQTP-UHFFFAOYSA-N 1 1 412.493 4.322 20 30 HIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240385 887048713 /nfs/dbraw/zinc/04/87/13/887048713.db2.gz JVMNRFHCXNUOFX-NRFANRHFSA-N 1 1 414.553 4.334 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000472311815 887139684 /nfs/dbraw/zinc/13/96/84/887139684.db2.gz IYCKGOXZJSTMOB-NQIIRXRSSA-N 1 1 414.456 4.191 20 30 HIEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000472311815 887139695 /nfs/dbraw/zinc/13/96/95/887139695.db2.gz IYCKGOXZJSTMOB-NQIIRXRSSA-N 1 1 414.456 4.191 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472410249 887259169 /nfs/dbraw/zinc/25/91/69/887259169.db2.gz NQEBCZJQRQNRHV-VXKWHMMOSA-N 1 1 413.587 4.125 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472410249 887259182 /nfs/dbraw/zinc/25/91/82/887259182.db2.gz NQEBCZJQRQNRHV-VXKWHMMOSA-N 1 1 413.587 4.125 20 30 HIEDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438366 887286728 /nfs/dbraw/zinc/28/67/28/887286728.db2.gz GTULCZMZSLKTKW-HXUWFJFHSA-N 1 1 421.501 4.080 20 30 HIEDMO N#CC(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000472753231 887599196 /nfs/dbraw/zinc/59/91/96/887599196.db2.gz PZDAUKOLPAHKAU-UHFFFAOYSA-N 1 1 401.476 4.456 20 30 HIEDMO N#CC1(NC(=O)C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CCCCC1 ZINC000472961256 887809819 /nfs/dbraw/zinc/80/98/19/887809819.db2.gz TZQYJFMLEXCTLT-UHFFFAOYSA-N 1 1 424.372 4.317 20 30 HIEDMO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000473009205 887839119 /nfs/dbraw/zinc/83/91/19/887839119.db2.gz GEYMKBSSWIAFIV-FGCOXFRFSA-N 1 1 404.558 4.378 20 30 HIEDMO Cc1nc(CC(C)C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000473835353 888671782 /nfs/dbraw/zinc/67/17/82/888671782.db2.gz KJKOWDJYIQBCCJ-UHFFFAOYSA-N 1 1 411.575 4.262 20 30 HIEDMO Cc1nc(CC(C)C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000473835353 888671792 /nfs/dbraw/zinc/67/17/92/888671792.db2.gz KJKOWDJYIQBCCJ-UHFFFAOYSA-N 1 1 411.575 4.262 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161205 888997973 /nfs/dbraw/zinc/99/79/73/888997973.db2.gz XCNRMJSIKOAWSS-VXKWHMMOSA-N 1 1 409.480 4.208 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161205 888997991 /nfs/dbraw/zinc/99/79/91/888997991.db2.gz XCNRMJSIKOAWSS-VXKWHMMOSA-N 1 1 409.480 4.208 20 30 HIEDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)cc1 ZINC000504547014 913324179 /nfs/dbraw/zinc/32/41/79/913324179.db2.gz LQZFZYFNFAAYQK-QGZVFWFLSA-N 1 1 409.555 4.325 20 30 HIEDMO N#C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000474395224 889263748 /nfs/dbraw/zinc/26/37/48/889263748.db2.gz TZLKOZWKEYVXTR-PGRDOPGGSA-N 1 1 413.443 4.374 20 30 HIEDMO N#C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000474395224 889263763 /nfs/dbraw/zinc/26/37/63/889263763.db2.gz TZLKOZWKEYVXTR-PGRDOPGGSA-N 1 1 413.443 4.374 20 30 HIEDMO CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018655 889871570 /nfs/dbraw/zinc/87/15/70/889871570.db2.gz RQXNYBNMWAUTAA-GOSISDBHSA-N 1 1 414.456 4.288 20 30 HIEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)ccc1OC ZINC000475085713 889932355 /nfs/dbraw/zinc/93/23/55/889932355.db2.gz FWKILKDAVGIDOA-OALUTQOASA-N 1 1 419.566 4.151 20 30 HIEDMO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475315164 890229139 /nfs/dbraw/zinc/22/91/39/890229139.db2.gz IZXZHUYMRVSATA-NRFANRHFSA-N 1 1 415.493 4.077 20 30 HIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000475579704 890510467 /nfs/dbraw/zinc/51/04/67/890510467.db2.gz CCUBEAYUCPBACO-YADHBBJMSA-N 1 1 407.558 4.295 20 30 HIEDMO N#CCC[C@@H](C#N)C[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475682495 890624034 /nfs/dbraw/zinc/62/40/34/890624034.db2.gz RPESYLRYHOOBBH-LPHOPBHVSA-N 1 1 422.392 4.469 20 30 HIEDMO N#CCC[C@@H](C#N)C[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475682495 890624038 /nfs/dbraw/zinc/62/40/38/890624038.db2.gz RPESYLRYHOOBBH-LPHOPBHVSA-N 1 1 422.392 4.469 20 30 HIEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000476599377 891534487 /nfs/dbraw/zinc/53/44/87/891534487.db2.gz QHJSMTMCPFIKFA-GOTSBHOMSA-N 1 1 403.526 4.204 20 30 HIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 ZINC000476832667 891813111 /nfs/dbraw/zinc/81/31/11/891813111.db2.gz RZANLMZCQFPJLJ-VGSWGCGISA-N 1 1 424.520 4.470 20 30 HIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434150 892386173 /nfs/dbraw/zinc/38/61/73/892386173.db2.gz CNLKRWKINCPPOW-QGZVFWFLSA-N 1 1 409.511 4.003 20 30 HIEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477928054 893016142 /nfs/dbraw/zinc/01/61/42/893016142.db2.gz MREGTENJZBOWJZ-UHFFFAOYSA-N 1 1 403.448 4.008 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000479280016 894557131 /nfs/dbraw/zinc/55/71/31/894557131.db2.gz JBHCKLBCQXMRMX-XMMPIXPASA-N 1 1 423.605 4.389 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000505203699 913882150 /nfs/dbraw/zinc/88/21/50/913882150.db2.gz KWMDDLCHWVYKEK-INIZCTEOSA-N 1 1 402.564 4.037 20 30 HIEDMO N#CC1(NC(=O)c2ccc(Oc3ccccc3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000479320698 894610916 /nfs/dbraw/zinc/61/09/16/894610916.db2.gz VOVURIVKRQJTEC-UHFFFAOYSA-N 1 1 401.466 4.360 20 30 HIEDMO COc1ccc(Br)c(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479909414 895256239 /nfs/dbraw/zinc/25/62/39/895256239.db2.gz BBFVGUPBMQKBMJ-UHFFFAOYSA-N 1 1 411.303 4.020 20 30 HIEDMO CC[NH+](CC)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000479952987 895306670 /nfs/dbraw/zinc/30/66/70/895306670.db2.gz CDQXOSQTJIDFKM-DEOSSOPVSA-N 1 1 401.558 4.001 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183395 896527962 /nfs/dbraw/zinc/52/79/62/896527962.db2.gz RUFXQZWZXVREOV-SXWKCWPCSA-N 1 1 411.615 4.151 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183395 896527984 /nfs/dbraw/zinc/52/79/84/896527984.db2.gz RUFXQZWZXVREOV-SXWKCWPCSA-N 1 1 411.615 4.151 20 30 HIEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481397031 896803772 /nfs/dbraw/zinc/80/37/72/896803772.db2.gz ADPJFNXMGCEVEB-XMMPIXPASA-N 1 1 412.493 4.212 20 30 HIEDMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000481926848 897311071 /nfs/dbraw/zinc/31/10/71/897311071.db2.gz WDDCDWVICGXGNK-IRLDBZIGSA-N 1 1 421.545 4.223 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000482098621 897543944 /nfs/dbraw/zinc/54/39/44/897543944.db2.gz LJFHOPJBUDURLE-DENIHFKCSA-N 1 1 405.542 4.227 20 30 HIEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 ZINC000482929950 898552131 /nfs/dbraw/zinc/55/21/31/898552131.db2.gz PVMPOASMZTXDBH-UHFFFAOYSA-N 1 1 413.481 4.408 20 30 HIEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482930753 898553359 /nfs/dbraw/zinc/55/33/59/898553359.db2.gz UYAIUXJXLIGFRH-JTHBVZDNSA-N 1 1 418.541 4.475 20 30 HIEDMO OC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000483112361 898804227 /nfs/dbraw/zinc/80/42/27/898804227.db2.gz PHRZVFSYMXJSFY-INIZCTEOSA-N 1 1 419.321 4.159 20 30 HIEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483332970 898962416 /nfs/dbraw/zinc/96/24/16/898962416.db2.gz CRSZOUFOOBXJDX-WIYYLYMNSA-N 1 1 420.513 4.307 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483424784 899054456 /nfs/dbraw/zinc/05/44/56/899054456.db2.gz GAZAUHREBPJFKV-INIZCTEOSA-N 1 1 403.448 4.146 20 30 HIEDMO N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476650 899122418 /nfs/dbraw/zinc/12/24/18/899122418.db2.gz ALDFLKGPGRICJW-PKTZIBPZSA-N 1 1 413.525 4.095 20 30 HIEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483593897 899244755 /nfs/dbraw/zinc/24/47/55/899244755.db2.gz DAKPQOFJEPPZJF-ISKFKSNPSA-N 1 1 417.553 4.229 20 30 HIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483620105 899271340 /nfs/dbraw/zinc/27/13/40/899271340.db2.gz ILAWTTZMWOQQAH-INIZCTEOSA-N 1 1 400.523 4.331 20 30 HIEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483677744 899337612 /nfs/dbraw/zinc/33/76/12/899337612.db2.gz FYRVQEADBAYZQZ-XMMPIXPASA-N 1 1 404.558 4.389 20 30 HIEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000505657852 914356830 /nfs/dbraw/zinc/35/68/30/914356830.db2.gz NPAXRPJEMXSYHZ-UHFFFAOYSA-N 1 1 400.482 4.120 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484352154 899900167 /nfs/dbraw/zinc/90/01/67/899900167.db2.gz KWIATLDSARQDOB-CRAIPNDOSA-N 1 1 411.468 4.241 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484352154 899900176 /nfs/dbraw/zinc/90/01/76/899900176.db2.gz KWIATLDSARQDOB-CRAIPNDOSA-N 1 1 411.468 4.241 20 30 HIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000484719470 900150525 /nfs/dbraw/zinc/15/05/25/900150525.db2.gz NKKWSNUJWMLORB-NFBKMPQASA-N 1 1 409.578 4.387 20 30 HIEDMO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485144987 900445936 /nfs/dbraw/zinc/44/59/36/900445936.db2.gz JSHIYOXCEGKLOA-SIKLNZKXSA-N 1 1 422.598 4.001 20 30 HIEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000485421494 900720256 /nfs/dbraw/zinc/72/02/56/900720256.db2.gz OYDCPXFTKSZOAF-NRFANRHFSA-N 1 1 406.530 4.137 20 30 HIEDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000485564240 900835556 /nfs/dbraw/zinc/83/55/56/900835556.db2.gz VZSWWQMQUPQZOI-CQSZACIVSA-N 1 1 402.589 4.237 20 30 HIEDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000485564240 900835559 /nfs/dbraw/zinc/83/55/59/900835559.db2.gz VZSWWQMQUPQZOI-CQSZACIVSA-N 1 1 402.589 4.237 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000485922438 901148835 /nfs/dbraw/zinc/14/88/35/901148835.db2.gz SJGCFIHKYDNYRZ-IBGZPJMESA-N 1 1 408.521 4.193 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000485922438 901148840 /nfs/dbraw/zinc/14/88/40/901148840.db2.gz SJGCFIHKYDNYRZ-IBGZPJMESA-N 1 1 408.521 4.193 20 30 HIEDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n2c3ccccc3nc2c1C#N ZINC000486005457 901219313 /nfs/dbraw/zinc/21/93/13/901219313.db2.gz KZKPPVJODGIAJW-CYFREDJKSA-N 1 1 410.525 4.192 20 30 HIEDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032185 901236587 /nfs/dbraw/zinc/23/65/87/901236587.db2.gz XDDRMOCYXAEUFF-QGZVFWFLSA-N 1 1 409.603 4.290 20 30 HIEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000486201830 901386035 /nfs/dbraw/zinc/38/60/35/901386035.db2.gz XLEIZJXGQQHDEN-NRFANRHFSA-N 1 1 419.447 4.155 20 30 HIEDMO N#C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc(C(F)(F)F)c1 ZINC000486427268 901585335 /nfs/dbraw/zinc/58/53/35/901585335.db2.gz BFNPQMZLBVXWCK-HNNXBMFYSA-N 1 1 421.329 4.218 20 30 HIEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000486449759 901608206 /nfs/dbraw/zinc/60/82/06/901608206.db2.gz UOIDARLTYJAFSL-YTFSRNRJSA-N 1 1 400.563 4.386 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cncc(OCc4ccccc4)c3)CC2)cc1 ZINC000486805489 901864730 /nfs/dbraw/zinc/86/47/30/901864730.db2.gz VSAVOLLAQACZDF-UHFFFAOYSA-N 1 1 412.537 4.240 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000486897377 901941292 /nfs/dbraw/zinc/94/12/92/901941292.db2.gz NLRKCQAKMJTBMP-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000486897377 901941299 /nfs/dbraw/zinc/94/12/99/901941299.db2.gz NLRKCQAKMJTBMP-UHFFFAOYSA-N 1 1 405.395 4.064 20 30 HIEDMO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC000487782655 902362446 /nfs/dbraw/zinc/36/24/46/902362446.db2.gz KFVFTLBDILKNLV-MRXNPFEDSA-N 1 1 407.461 4.146 20 30 HIEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487898470 902437775 /nfs/dbraw/zinc/43/77/75/902437775.db2.gz PVBXNKOXMZZQLT-UHFFFAOYSA-N 1 1 415.291 4.100 20 30 HIEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475099 902844554 /nfs/dbraw/zinc/84/45/54/902844554.db2.gz ZIKIISKNFRBNLJ-RBUKOAKNSA-N 1 1 400.309 4.243 20 30 HIEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000488807417 903011860 /nfs/dbraw/zinc/01/18/60/903011860.db2.gz QUCLHJCSLJWPKG-QHCPKHFHSA-N 1 1 401.514 4.320 20 30 HIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408292 903371936 /nfs/dbraw/zinc/37/19/36/903371936.db2.gz VXBLVYVGCFPGNE-AUSIDOKSSA-N 1 1 405.542 4.499 20 30 HIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490432137 904006143 /nfs/dbraw/zinc/00/61/43/904006143.db2.gz KOPUCGYSKFQBMJ-QFIPXVFZSA-N 1 1 410.525 4.282 20 30 HIEDMO C=C(CNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000491085494 904420831 /nfs/dbraw/zinc/42/08/31/904420831.db2.gz HXXVKHHEOQHIBA-UHFFFAOYSA-N 1 1 416.525 4.319 20 30 HIEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000492076864 904789912 /nfs/dbraw/zinc/78/99/12/904789912.db2.gz BHLCEMWRDMSYED-NFBKMPQASA-N 1 1 404.514 4.004 20 30 HIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492599500 904874485 /nfs/dbraw/zinc/87/44/85/904874485.db2.gz DROPXUVGHUZJSR-QGZVFWFLSA-N 1 1 416.612 4.277 20 30 HIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493572514 905166172 /nfs/dbraw/zinc/16/61/72/905166172.db2.gz KZZZZSKGCHNTSD-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493572514 905166183 /nfs/dbraw/zinc/16/61/83/905166183.db2.gz KZZZZSKGCHNTSD-AWEZNQCLSA-N 1 1 403.383 4.138 20 30 HIEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494069308 905405751 /nfs/dbraw/zinc/40/57/51/905405751.db2.gz ODYHUHNDMAIUMH-JPYJTQIMSA-N 1 1 412.493 4.138 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000512419753 921147906 /nfs/dbraw/zinc/14/79/06/921147906.db2.gz BWZGPUUPBLGEGA-UZLBHIALSA-N 1 1 400.567 4.046 20 30 HIEDMO N#Cc1cccnc1N1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000512425816 921152762 /nfs/dbraw/zinc/15/27/62/921152762.db2.gz CPMDFWCWZNCLKO-UHFFFAOYSA-N 1 1 409.946 4.069 20 30 HIEDMO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000494384946 905679508 /nfs/dbraw/zinc/67/95/08/905679508.db2.gz LRQGLNJDEJOQEB-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000494384946 905679521 /nfs/dbraw/zinc/67/95/21/905679521.db2.gz LRQGLNJDEJOQEB-UHFFFAOYSA-N 1 1 410.493 4.224 20 30 HIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2C1 ZINC000494504929 905797336 /nfs/dbraw/zinc/79/73/36/905797336.db2.gz DVXSSIBNSUHJDL-UHFFFAOYSA-N 1 1 418.541 4.324 20 30 HIEDMO Cc1cc(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)ccc1Br ZINC000495255544 906341966 /nfs/dbraw/zinc/34/19/66/906341966.db2.gz QMEHOGAYUJCHER-FQEVSTJZSA-N 1 1 412.331 4.035 20 30 HIEDMO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1OC(F)F ZINC000512590095 921251592 /nfs/dbraw/zinc/25/15/92/921251592.db2.gz IBQFLCLCJPSUJK-UHFFFAOYSA-N 1 1 415.440 4.019 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Br)cs3)CC2)c1 ZINC000512605032 921258090 /nfs/dbraw/zinc/25/80/90/921258090.db2.gz UVXQLPZUMJOEFL-UHFFFAOYSA-N 1 1 404.333 4.233 20 30 HIEDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(C#N)cc1F ZINC000512625304 921266944 /nfs/dbraw/zinc/26/69/44/921266944.db2.gz NBDPEZSYZVPIQM-MRXNPFEDSA-N 1 1 403.461 4.265 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1F ZINC000512646606 921273538 /nfs/dbraw/zinc/27/35/38/921273538.db2.gz BQUNYDBZDPGGEM-XIKOKIGWSA-N 1 1 407.367 4.052 20 30 HIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)c1 ZINC000512648354 921273777 /nfs/dbraw/zinc/27/37/77/921273777.db2.gz MBNKUDKDGCGSLZ-UHFFFAOYSA-N 1 1 416.294 4.311 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497421846 906895595 /nfs/dbraw/zinc/89/55/95/906895595.db2.gz HVNJJMXDYJYPSU-IBGZPJMESA-N 1 1 413.562 4.144 20 30 HIEDMO CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618652 907096351 /nfs/dbraw/zinc/09/63/51/907096351.db2.gz GAPMRZYAUJIJAM-LJQANCHMSA-N 1 1 415.541 4.060 20 30 HIEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498552660 908014424 /nfs/dbraw/zinc/01/44/24/908014424.db2.gz GJXDFGXLSSPTAO-DHIUTWEWSA-N 1 1 409.530 4.006 20 30 HIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703818 908128119 /nfs/dbraw/zinc/12/81/19/908128119.db2.gz LQXGVMNXGGJHHW-GBXCKJPGSA-N 1 1 402.542 4.166 20 30 HIEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000499608363 908855182 /nfs/dbraw/zinc/85/51/82/908855182.db2.gz RJCPMFIGTGRQFI-RBUKOAKNSA-N 1 1 406.530 4.278 20 30 HIEDMO C=C(CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088008 910288395 /nfs/dbraw/zinc/28/83/95/910288395.db2.gz NBFXSPCFLNBVPC-WIYYLYMNSA-N 1 1 401.913 4.485 20 30 HIEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000501111412 910300034 /nfs/dbraw/zinc/30/00/34/910300034.db2.gz WVSXTBCPBLHNJC-UHFFFAOYSA-N 1 1 423.582 4.140 20 30 HIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000501401797 910530703 /nfs/dbraw/zinc/53/07/03/910530703.db2.gz XJQNEWZNGKDVEA-XMMPIXPASA-N 1 1 404.558 4.317 20 30 HIEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000513206324 921622971 /nfs/dbraw/zinc/62/29/71/921622971.db2.gz VQPIQQSGJSEOSZ-QFIPXVFZSA-N 1 1 421.541 4.027 20 30 HIEDMO C[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000502161762 911081766 /nfs/dbraw/zinc/08/17/66/911081766.db2.gz ARMRSHLGNLHGJD-GOTSBHOMSA-N 1 1 420.944 4.456 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000502161762 911081786 /nfs/dbraw/zinc/08/17/86/911081786.db2.gz ARMRSHLGNLHGJD-GOTSBHOMSA-N 1 1 420.944 4.456 20 30 HIEDMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cs2)o1 ZINC000502189835 911125586 /nfs/dbraw/zinc/12/55/86/911125586.db2.gz WRVNPNCSAJQXKU-UHFFFAOYSA-N 1 1 406.511 4.434 20 30 HIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000502552787 911560008 /nfs/dbraw/zinc/56/00/08/911560008.db2.gz ISFLGEDHLWGFCX-GOSISDBHSA-N 1 1 403.309 4.394 20 30 HIEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000503146319 912109243 /nfs/dbraw/zinc/10/92/43/912109243.db2.gz MRPDFNRXUQMWNL-QFIPXVFZSA-N 1 1 417.513 4.179 20 30 HIEDMO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513365804 921739541 /nfs/dbraw/zinc/73/95/41/921739541.db2.gz HQPGYKWVQPEKHO-WZONZLPQSA-N 1 1 405.517 4.240 20 30 HIEDMO N#Cc1ccccc1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000506393251 915010500 /nfs/dbraw/zinc/01/05/00/915010500.db2.gz CYFYOVFETDPAQX-UHFFFAOYSA-N 1 1 420.520 4.128 20 30 HIEDMO C[C@H]1C[C@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000513365799 921739981 /nfs/dbraw/zinc/73/99/81/921739981.db2.gz HQPGYKWVQPEKHO-FDDCHVKYSA-N 1 1 405.517 4.240 20 30 HIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506478305 915083666 /nfs/dbraw/zinc/08/36/66/915083666.db2.gz FZOYPOPWRYSFLO-KURKYZTESA-N 1 1 414.619 4.022 20 30 HIEDMO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000513370136 921744074 /nfs/dbraw/zinc/74/40/74/921744074.db2.gz GXMROSCBSXYUAQ-OAQYLSRUSA-N 1 1 421.541 4.102 20 30 HIEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000513370136 921744093 /nfs/dbraw/zinc/74/40/93/921744093.db2.gz GXMROSCBSXYUAQ-OAQYLSRUSA-N 1 1 421.541 4.102 20 30 HIEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000506655652 915329021 /nfs/dbraw/zinc/32/90/21/915329021.db2.gz UXZRFQFJJHUMCU-UHFFFAOYSA-N 1 1 424.508 4.030 20 30 HIEDMO Cc1nc(CN2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)cs1 ZINC000506687863 915363900 /nfs/dbraw/zinc/36/39/00/915363900.db2.gz OIIGPRLNUDWCLL-UHFFFAOYSA-N 1 1 418.566 4.220 20 30 HIEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000513406204 921774351 /nfs/dbraw/zinc/77/43/51/921774351.db2.gz OEIXTVQPUUDUFC-JPYJTQIMSA-N 1 1 407.533 4.486 20 30 HIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254933 916016031 /nfs/dbraw/zinc/01/60/31/916016031.db2.gz RHDMWPNQLLYJKW-CQSZACIVSA-N 1 1 400.885 4.254 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254818 916016302 /nfs/dbraw/zinc/01/63/02/916016302.db2.gz QZEMBMWSVWXKNP-KRWDZBQOSA-N 1 1 412.484 4.176 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000507256656 916018160 /nfs/dbraw/zinc/01/81/60/916018160.db2.gz VZSXXGOJGVOXNH-UHFFFAOYSA-N 1 1 424.520 4.048 20 30 HIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000507631075 916389812 /nfs/dbraw/zinc/38/98/12/916389812.db2.gz WHUPRQLAWAQGMG-UHFFFAOYSA-N 1 1 401.441 4.231 20 30 HIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000507631075 916389832 /nfs/dbraw/zinc/38/98/32/916389832.db2.gz WHUPRQLAWAQGMG-UHFFFAOYSA-N 1 1 401.441 4.231 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000507657602 916421249 /nfs/dbraw/zinc/42/12/49/916421249.db2.gz ILFBIHRCFJKUJJ-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000507657602 916421258 /nfs/dbraw/zinc/42/12/58/916421258.db2.gz ILFBIHRCFJKUJJ-IBGZPJMESA-N 1 1 409.530 4.088 20 30 HIEDMO CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000507690573 916465546 /nfs/dbraw/zinc/46/55/46/916465546.db2.gz XCVJECHOOQQXKT-QGZVFWFLSA-N 1 1 421.932 4.478 20 30 HIEDMO CC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000507690573 916465552 /nfs/dbraw/zinc/46/55/52/916465552.db2.gz XCVJECHOOQQXKT-QGZVFWFLSA-N 1 1 421.932 4.478 20 30 HIEDMO CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000507702260 916483829 /nfs/dbraw/zinc/48/38/29/916483829.db2.gz PMVHCOIVULKBBA-BEFAXECRSA-N 1 1 403.320 4.144 20 30 HIEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508478577 917263182 /nfs/dbraw/zinc/26/31/82/917263182.db2.gz RZPFXOQQOUQOPD-RBUKOAKNSA-N 1 1 424.549 4.130 20 30 HIEDMO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508504731 917289758 /nfs/dbraw/zinc/28/97/58/917289758.db2.gz AJZLYZBNFRTTGJ-DYESRHJHSA-N 1 1 421.570 4.085 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508724509 917485972 /nfs/dbraw/zinc/48/59/72/917485972.db2.gz SNWAQKVFCYFZGS-FYYLOGMGSA-N 1 1 414.557 4.017 20 30 HIEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508733668 917492878 /nfs/dbraw/zinc/49/28/78/917492878.db2.gz NMECFHOLOFZTLE-VGOFRKELSA-N 1 1 402.546 4.066 20 30 HIEDMO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508814786 917568792 /nfs/dbraw/zinc/56/87/92/917568792.db2.gz WKQKNTPNKMQYIQ-YMPZKCBVSA-N 1 1 405.590 4.459 20 30 HIEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508855508 917607990 /nfs/dbraw/zinc/60/79/90/917607990.db2.gz HOCSUUYJLJZFMO-QGZVFWFLSA-N 1 1 411.550 4.139 20 30 HIEDMO C=CCn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508884046 917638200 /nfs/dbraw/zinc/63/82/00/917638200.db2.gz FHOBOAHSINEHQQ-OAQYLSRUSA-N 1 1 419.548 4.152 20 30 HIEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508916698 917673957 /nfs/dbraw/zinc/67/39/57/917673957.db2.gz HROZXOKCAFBSIO-UHFFFAOYSA-N 1 1 416.554 4.063 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508956325 917712840 /nfs/dbraw/zinc/71/28/40/917712840.db2.gz OWLKFRDILIFBNF-GGAORHGYSA-N 1 1 423.605 4.272 20 30 HIEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000509010666 917763335 /nfs/dbraw/zinc/76/33/35/917763335.db2.gz KEDXHBUQKPOBQJ-LJQANCHMSA-N 1 1 423.586 4.126 20 30 HIEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509073321 917818778 /nfs/dbraw/zinc/81/87/78/917818778.db2.gz ZZTKIMNBIVKLJA-VQIMIIECSA-N 1 1 422.392 4.116 20 30 HIEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509073321 917818784 /nfs/dbraw/zinc/81/87/84/917818784.db2.gz ZZTKIMNBIVKLJA-VQIMIIECSA-N 1 1 422.392 4.116 20 30 HIEDMO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000509245212 917938646 /nfs/dbraw/zinc/93/86/46/917938646.db2.gz GMYLQYCYXAZSLS-UHFFFAOYSA-N 1 1 420.900 4.261 20 30 HIEDMO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cs1 ZINC000509532928 918180854 /nfs/dbraw/zinc/18/08/54/918180854.db2.gz NGAHUOVHGGQLCP-UHFFFAOYSA-N 1 1 412.603 4.441 20 30 HIEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000510491373 918940666 /nfs/dbraw/zinc/94/06/66/918940666.db2.gz OJJKXIUAYTUZTA-QZTJIDSGSA-N 1 1 422.529 4.360 20 30 HIEDMO C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000510651357 919092342 /nfs/dbraw/zinc/09/23/42/919092342.db2.gz MBGOJONUKZWXEE-CTNGQTDRSA-N 1 1 420.557 4.025 20 30 HIEDMO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510787645 919251925 /nfs/dbraw/zinc/25/19/25/919251925.db2.gz MFKKFDXQTRMFLG-IEBWSBKVSA-N 1 1 407.514 4.113 20 30 HIEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934549 919456921 /nfs/dbraw/zinc/45/69/21/919456921.db2.gz FYQFHGHQOFIKIQ-ROUUACIJSA-N 1 1 419.529 4.052 20 30 HIEDMO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510976343 919525745 /nfs/dbraw/zinc/52/57/45/919525745.db2.gz UEFXOIGKAONWTA-HKUYNNGSSA-N 1 1 407.514 4.113 20 30 HIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000511061713 919659707 /nfs/dbraw/zinc/65/97/07/919659707.db2.gz ZDHIMHZHUMPWOS-AWEZNQCLSA-N 1 1 414.600 4.456 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C#N ZINC000511104561 919710769 /nfs/dbraw/zinc/71/07/69/919710769.db2.gz BWCDXFVPOFNVTM-UHFFFAOYSA-N 1 1 423.517 4.113 20 30 HIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C#N ZINC000511104561 919710784 /nfs/dbraw/zinc/71/07/84/919710784.db2.gz BWCDXFVPOFNVTM-UHFFFAOYSA-N 1 1 423.517 4.113 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1C#N ZINC000511131345 919745787 /nfs/dbraw/zinc/74/57/87/919745787.db2.gz MOMFCVFFOZRWSL-IBGZPJMESA-N 1 1 422.577 4.033 20 30 HIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1C#N ZINC000511131345 919745799 /nfs/dbraw/zinc/74/57/99/919745799.db2.gz MOMFCVFFOZRWSL-IBGZPJMESA-N 1 1 422.577 4.033 20 30 HIEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000511506792 920124081 /nfs/dbraw/zinc/12/40/81/920124081.db2.gz JJABPTYSANCJSF-UHFFFAOYSA-N 1 1 407.533 4.346 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](CC)Cc2cnn(C)c2)cc1OCC ZINC000511665000 920330268 /nfs/dbraw/zinc/33/02/68/920330268.db2.gz QOSYLTLWWWNJAV-UHFFFAOYSA-N 1 1 408.340 4.168 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)Cc2cnn(C)c2)cc1OCC ZINC000511665000 920330273 /nfs/dbraw/zinc/33/02/73/920330273.db2.gz QOSYLTLWWWNJAV-UHFFFAOYSA-N 1 1 408.340 4.168 20 30 HIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCc1nc(-c2ccccc2)no1 ZINC000512203322 920947949 /nfs/dbraw/zinc/94/79/49/920947949.db2.gz NVKBGPWZXBBLNW-UHFFFAOYSA-N 1 1 401.388 4.161 20 30 HIEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCc1nc(-c2ccccc2)no1 ZINC000512203322 920947960 /nfs/dbraw/zinc/94/79/60/920947960.db2.gz NVKBGPWZXBBLNW-UHFFFAOYSA-N 1 1 401.388 4.161 20 30 HIEDMO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274382 921029103 /nfs/dbraw/zinc/02/91/03/921029103.db2.gz CILOIACGCBFKBK-HKUYNNGSSA-N 1 1 403.860 4.178 20 30 HIEDMO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274383 921030011 /nfs/dbraw/zinc/03/00/11/921030011.db2.gz CILOIACGCBFKBK-IEBWSBKVSA-N 1 1 403.860 4.178 20 30 HIEDMO N#CCCCOc1cccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1 ZINC000513472736 921831650 /nfs/dbraw/zinc/83/16/50/921831650.db2.gz LALNLYZAHLPSCT-UHFFFAOYSA-N 1 1 413.525 4.148 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513662344 921984089 /nfs/dbraw/zinc/98/40/89/921984089.db2.gz ZSCKOKXUGOMMIU-RLWLMLJZSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513662344 921984103 /nfs/dbraw/zinc/98/41/03/921984103.db2.gz ZSCKOKXUGOMMIU-RLWLMLJZSA-N 1 1 409.489 4.111 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673110 921995734 /nfs/dbraw/zinc/99/57/34/921995734.db2.gz XIUNNMXJMHQPJK-LVXARBLLSA-N 1 1 404.473 4.071 20 30 HIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513673110 921995739 /nfs/dbraw/zinc/99/57/39/921995739.db2.gz XIUNNMXJMHQPJK-LVXARBLLSA-N 1 1 404.473 4.071 20 30 HIEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513979201 922300148 /nfs/dbraw/zinc/30/01/48/922300148.db2.gz ZHOCQYSOBDJSAZ-RLWLMLJZSA-N 1 1 409.489 4.111 20 30 HIEDMO N#C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513979201 922300163 /nfs/dbraw/zinc/30/01/63/922300163.db2.gz ZHOCQYSOBDJSAZ-RLWLMLJZSA-N 1 1 409.489 4.111 20 30 HIEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000514514909 922666518 /nfs/dbraw/zinc/66/65/18/922666518.db2.gz UBBKKPNHXZDQIO-UHFFFAOYSA-N 1 1 406.530 4.236 20 30 HIEDMO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000514830883 922818718 /nfs/dbraw/zinc/81/87/18/922818718.db2.gz GTPHZCKCWHKEMJ-FQEVSTJZSA-N 1 1 409.578 4.148 20 30 HIEDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928405 922846467 /nfs/dbraw/zinc/84/64/67/922846467.db2.gz UNUVQJCMTAUVOX-XUZZJYLKSA-N 1 1 416.481 4.113 20 30 HIEDMO C[N@@H+](CCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000515100774 922913349 /nfs/dbraw/zinc/91/33/49/922913349.db2.gz KGALEVRRSCQRNB-UHFFFAOYSA-N 1 1 419.554 4.249 20 30 HIEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000515922706 923437622 /nfs/dbraw/zinc/43/76/22/923437622.db2.gz WBUILHHVDOMSOX-UHFFFAOYSA-N 1 1 422.964 4.200 20 30 HIEDMO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000516196772 923592325 /nfs/dbraw/zinc/59/23/25/923592325.db2.gz JQCXIATWYNBHPB-LJQANCHMSA-N 1 1 420.561 4.344 20 30 HIEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000517352842 924125576 /nfs/dbraw/zinc/12/55/76/924125576.db2.gz DHZJBBDVTZFZIE-UHFFFAOYSA-N 1 1 415.468 4.278 20 30 HIEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000517903534 926883018 /nfs/dbraw/zinc/88/30/18/926883018.db2.gz QZVNOEJRGLMMBF-ROUUACIJSA-N 1 1 422.529 4.360 20 30 HIEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000517903532 926883319 /nfs/dbraw/zinc/88/33/19/926883319.db2.gz QZVNOEJRGLMMBF-HDICACEKSA-N 1 1 422.529 4.360 20 30 HIEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000517903532 926883325 /nfs/dbraw/zinc/88/33/25/926883325.db2.gz QZVNOEJRGLMMBF-HDICACEKSA-N 1 1 422.529 4.360 20 30 HIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)cc1 ZINC000517949824 926899325 /nfs/dbraw/zinc/89/93/25/926899325.db2.gz ISMLQZFGANVBKL-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)cc1 ZINC000517949824 926899329 /nfs/dbraw/zinc/89/93/29/926899329.db2.gz ISMLQZFGANVBKL-UHFFFAOYSA-N 1 1 412.493 4.094 20 30 HIEDMO C=CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255546 927112433 /nfs/dbraw/zinc/11/24/33/927112433.db2.gz PASXOZNOOVQAAR-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255546 927112445 /nfs/dbraw/zinc/11/24/45/927112445.db2.gz PASXOZNOOVQAAR-HNNXBMFYSA-N 1 1 421.892 4.115 20 30 HIEDMO CC(C)C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000518256583 927113815 /nfs/dbraw/zinc/11/38/15/927113815.db2.gz GYHURZDTSWFSEM-OAQYLSRUSA-N 1 1 422.529 4.219 20 30 HIEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000518264705 927122991 /nfs/dbraw/zinc/12/29/91/927122991.db2.gz MLRQKATZDLARQB-FGTMMUONSA-N 1 1 407.518 4.233 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000518471217 927296135 /nfs/dbraw/zinc/29/61/35/927296135.db2.gz XXVUPMRTLOBHEF-IBGZPJMESA-N 1 1 410.493 4.128 20 30 HIEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752683 927475771 /nfs/dbraw/zinc/47/57/71/927475771.db2.gz YVHYXLOADCKKCY-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752683 927475781 /nfs/dbraw/zinc/47/57/81/927475781.db2.gz YVHYXLOADCKKCY-MRXNPFEDSA-N 1 1 404.449 4.206 20 30 HIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000519487429 927984514 /nfs/dbraw/zinc/98/45/14/927984514.db2.gz GFXNKOMSVWUTFU-SZPZYZBQSA-N 1 1 421.585 4.236 20 30 HIEDMO CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519908865 928142234 /nfs/dbraw/zinc/14/22/34/928142234.db2.gz VEIIYGYXQGTOOA-GOSISDBHSA-N 1 1 421.310 4.110 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520138883 928334231 /nfs/dbraw/zinc/33/42/31/928334231.db2.gz NAAVIURFPLOQQK-KDURUIRLSA-N 1 1 423.513 4.032 20 30 HIEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520138883 928334244 /nfs/dbraw/zinc/33/42/44/928334244.db2.gz NAAVIURFPLOQQK-KDURUIRLSA-N 1 1 423.513 4.032 20 30 HIEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)c1 ZINC000520146934 928341854 /nfs/dbraw/zinc/34/18/54/928341854.db2.gz SKHOMLZWRKXRSK-DEOSSOPVSA-N 1 1 424.504 4.414 20 30 HIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520195546 928381861 /nfs/dbraw/zinc/38/18/61/928381861.db2.gz CKYAGWXUGPOSSL-ZACQAIPSSA-N 1 1 404.580 4.090 20 30 HIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000520892368 928862724 /nfs/dbraw/zinc/86/27/24/928862724.db2.gz BHFPXZDVNHJXFA-UHFFFAOYSA-N 1 1 423.520 4.455 20 30 HIEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520952234 928887852 /nfs/dbraw/zinc/88/78/52/928887852.db2.gz GVCUTDBVDMYYRO-LJQANCHMSA-N 1 1 418.434 4.224 20 30 HIEDMO C=C(C)COc1cc(CNCC2([NH+]3CCC(OC)CC3)CCCC2)ccc1OC ZINC000520973362 928897654 /nfs/dbraw/zinc/89/76/54/928897654.db2.gz YOAKAIKBNDWBPZ-UHFFFAOYSA-N 1 1 402.579 4.163 20 30 HIEDMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000521196720 929055788 /nfs/dbraw/zinc/05/57/88/929055788.db2.gz WJIMXJRARXPBJS-HSZRJFAPSA-N 1 1 421.541 4.150 20 30 HIEDMO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859598 929511241 /nfs/dbraw/zinc/51/12/41/929511241.db2.gz JONKUUAYTDFYDT-INIZCTEOSA-N 1 1 411.468 4.057 20 30 HIEDMO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859598 929511258 /nfs/dbraw/zinc/51/12/58/929511258.db2.gz JONKUUAYTDFYDT-INIZCTEOSA-N 1 1 411.468 4.057 20 30 HIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000521931635 929571462 /nfs/dbraw/zinc/57/14/62/929571462.db2.gz LSNQUBABIBUVFF-LJQANCHMSA-N 1 1 415.493 4.077 20 30 HIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000521931635 929571494 /nfs/dbraw/zinc/57/14/94/929571494.db2.gz LSNQUBABIBUVFF-LJQANCHMSA-N 1 1 415.493 4.077 20 30 HIEDMO C[C@H](c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000522019693 929620272 /nfs/dbraw/zinc/62/02/72/929620272.db2.gz DCZUEKYQOZIKMH-LJQANCHMSA-N 1 1 407.514 4.139 20 30 HIEDMO N#Cc1nnc2ccccc2c1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000525359238 930194679 /nfs/dbraw/zinc/19/46/79/930194679.db2.gz WTKCGWXJCFKULI-UHFFFAOYSA-N 1 1 411.431 4.233 20 30 HIEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000525637418 930377237 /nfs/dbraw/zinc/37/72/37/930377237.db2.gz MPQISHBFBWALFX-FQEVSTJZSA-N 1 1 412.361 4.139 20 30 HIEDMO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC000531056525 930899711 /nfs/dbraw/zinc/89/97/11/930899711.db2.gz LPCRHIKUCOQZEW-FQEVSTJZSA-N 1 1 411.512 4.245 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1OCC ZINC000531696857 931160867 /nfs/dbraw/zinc/16/08/67/931160867.db2.gz KPQPRHTULUVAMN-INIZCTEOSA-N 1 1 406.324 4.303 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1OCC ZINC000531696857 931160873 /nfs/dbraw/zinc/16/08/73/931160873.db2.gz KPQPRHTULUVAMN-INIZCTEOSA-N 1 1 406.324 4.303 20 30 HIEDMO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000531842048 931216803 /nfs/dbraw/zinc/21/68/03/931216803.db2.gz JEMOBYXJCONZPQ-RUZDIDTESA-N 1 1 417.484 4.460 20 30 HIEDMO N#CCCn1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000532105290 931313138 /nfs/dbraw/zinc/31/31/38/931313138.db2.gz AHWAJEWDMHCXAJ-UHFFFAOYSA-N 1 1 400.511 4.272 20 30 HIEDMO Cc1[nH+]c(N2CCOCC2)ccc1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000532569031 931530163 /nfs/dbraw/zinc/53/01/63/931530163.db2.gz OKEXMCPSHQRPPB-UHFFFAOYSA-N 1 1 414.509 4.289 20 30 HIEDMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532739948 931618544 /nfs/dbraw/zinc/61/85/44/931618544.db2.gz CBEBJKKJYSQAFY-HXUWFJFHSA-N 1 1 422.598 4.146 20 30 HIEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959625 931714050 /nfs/dbraw/zinc/71/40/50/931714050.db2.gz STQNZOVGEHEWIU-WIYYLYMNSA-N 1 1 420.431 4.033 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000533020046 931739715 /nfs/dbraw/zinc/73/97/15/931739715.db2.gz URHCYWVDEMMURA-UHFFFAOYSA-N 1 1 413.525 4.216 20 30 HIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000533020046 931739725 /nfs/dbraw/zinc/73/97/25/931739725.db2.gz URHCYWVDEMMURA-UHFFFAOYSA-N 1 1 413.525 4.216 20 30 HIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000533240465 931816685 /nfs/dbraw/zinc/81/66/85/931816685.db2.gz GNELUUGGPIOLBN-KRWDZBQOSA-N 1 1 413.468 4.143 20 30 HIEDMO CCOc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000533306139 931834155 /nfs/dbraw/zinc/83/41/55/931834155.db2.gz MEQJOMNQSYLQMM-UHFFFAOYSA-N 1 1 416.525 4.320 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC=C(c3c[nH]c4ncccc34)CC1)CCC2 ZINC000533344208 931843919 /nfs/dbraw/zinc/84/39/19/931843919.db2.gz SUESHSHLBVRFQF-UHFFFAOYSA-N 1 1 417.538 4.103 20 30 HIEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400294 931858693 /nfs/dbraw/zinc/85/86/93/931858693.db2.gz NRIVPAWCKPTIOQ-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533400294 931858695 /nfs/dbraw/zinc/85/86/95/931858695.db2.gz NRIVPAWCKPTIOQ-JXFKEZNVSA-N 1 1 409.555 4.289 20 30 HIEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccc(Br)cc1 ZINC000533886889 932081042 /nfs/dbraw/zinc/08/10/42/932081042.db2.gz CGZMLXCJTMDTJN-MRXNPFEDSA-N 1 1 407.381 4.470 20 30 HIEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757093 932733662 /nfs/dbraw/zinc/73/36/62/932733662.db2.gz UDYZEZACAXYKQI-ZCYQVOJMSA-N 1 1 411.505 4.312 20 30 HIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959157 932859828 /nfs/dbraw/zinc/85/98/28/932859828.db2.gz CYLJRBMQEBVBQF-OXJNMPFZSA-N 1 1 400.885 4.474 20 30 HIEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676108 933325415 /nfs/dbraw/zinc/32/54/15/933325415.db2.gz OGNPASJNDUZZCH-JXFKEZNVSA-N 1 1 400.885 4.360 20 30 HIEDMO Cc1sc(NC(=O)CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535678939 933329003 /nfs/dbraw/zinc/32/90/03/933329003.db2.gz DRTVAMYZWCZMMF-UHFFFAOYSA-N 1 1 422.598 4.163 20 30 HIEDMO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537288546 933698573 /nfs/dbraw/zinc/69/85/73/933698573.db2.gz GZWYCSAWDAVRQO-BXKMTCNYSA-N 1 1 420.534 4.411 20 30 HIEDMO CCOc1cc2c(cc1CNC1CC[NH+](Cc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000537293046 933700894 /nfs/dbraw/zinc/70/08/94/933700894.db2.gz GPGYVXXVDRSQHA-SFHVURJKSA-N 1 1 405.542 4.035 20 30 HIEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H](C)C1 ZINC000537574501 938327870 /nfs/dbraw/zinc/32/78/70/938327870.db2.gz PCCAGDRONLNBLX-SIKLNZKXSA-N 1 1 421.541 4.217 20 30 HIEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H](C)C1 ZINC000537574503 938327965 /nfs/dbraw/zinc/32/79/65/938327965.db2.gz PCCAGDRONLNBLX-UGKGYDQZSA-N 1 1 421.541 4.217 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000537615546 938334179 /nfs/dbraw/zinc/33/41/79/938334179.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000537615546 938334183 /nfs/dbraw/zinc/33/41/83/938334183.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000537615546 938334187 /nfs/dbraw/zinc/33/41/87/938334187.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000537615546 938334191 /nfs/dbraw/zinc/33/41/91/938334191.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 1 1 411.384 4.185 20 30 HIEDMO C=CCOc1ccc(C[NH+]2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)cc1 ZINC000537621874 938336496 /nfs/dbraw/zinc/33/64/96/938336496.db2.gz GTWFPINJVFPQGK-GOSISDBHSA-N 1 1 401.576 4.123 20 30 HIEDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000538023803 938468516 /nfs/dbraw/zinc/46/85/16/938468516.db2.gz MLCXJIORFBDSJM-UHFFFAOYSA-N 1 1 412.921 4.350 20 30 HIEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000538110474 938504930 /nfs/dbraw/zinc/50/49/30/938504930.db2.gz GUCOHYPDSLMYJR-NRFANRHFSA-N 1 1 402.542 4.099 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1C#N ZINC000538149688 938522441 /nfs/dbraw/zinc/52/24/41/938522441.db2.gz CKDAGILRVFYGIT-QGZVFWFLSA-N 1 1 401.466 4.170 20 30 HIEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000538189224 938544524 /nfs/dbraw/zinc/54/45/24/938544524.db2.gz XUPHYSOOGCPRTR-NWDGAFQWSA-N 1 1 405.857 4.046 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 ZINC000538276923 938581778 /nfs/dbraw/zinc/58/17/78/938581778.db2.gz NBAVYVSOLBQOHH-BEFAXECRSA-N 1 1 401.507 4.136 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538557659 938648509 /nfs/dbraw/zinc/64/85/09/938648509.db2.gz QXHHLRGSFLLNML-RTWAWAEBSA-N 1 1 414.912 4.374 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538557659 938648512 /nfs/dbraw/zinc/64/85/12/938648512.db2.gz QXHHLRGSFLLNML-RTWAWAEBSA-N 1 1 414.912 4.374 20 30 HIEDMO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@H+](C)CCC)C2)cc1OC ZINC000538722163 938691572 /nfs/dbraw/zinc/69/15/72/938691572.db2.gz ZZJDAXZHSXQLPS-INIZCTEOSA-N 1 1 411.384 4.186 20 30 HIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000539102103 938803235 /nfs/dbraw/zinc/80/32/35/938803235.db2.gz HCWAYGTXPKTLMB-XMMPIXPASA-N 1 1 410.521 4.149 20 30 HIEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327742 938842530 /nfs/dbraw/zinc/84/25/30/938842530.db2.gz DYOUMMXRVPQBCE-IFXJQAMLSA-N 1 1 419.497 4.132 20 30 HIEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327744 938842624 /nfs/dbraw/zinc/84/26/24/938842624.db2.gz DYOUMMXRVPQBCE-LIRRHRJNSA-N 1 1 419.497 4.132 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000539669350 938897816 /nfs/dbraw/zinc/89/78/16/938897816.db2.gz QHBBFAQHHAMHFT-GOSISDBHSA-N 1 1 410.352 4.414 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1OC ZINC000539817785 938942375 /nfs/dbraw/zinc/94/23/75/938942375.db2.gz NPRGRKGQXILEMX-HXUWFJFHSA-N 1 1 410.352 4.415 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CC)c2ccc(F)cc2F)cc1 ZINC000540415337 939239996 /nfs/dbraw/zinc/23/99/96/939239996.db2.gz ZVOFQICXCZXCKH-NRFANRHFSA-N 1 1 401.457 4.351 20 30 HIEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540423805 939243577 /nfs/dbraw/zinc/24/35/77/939243577.db2.gz RSTLICGCJMGJSB-KBPBESRZSA-N 1 1 412.515 4.475 20 30 HIEDMO Cc1sc(NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c(C#N)c1C ZINC000540467160 939264040 /nfs/dbraw/zinc/26/40/40/939264040.db2.gz BPQXTNTXMOMORZ-LJQANCHMSA-N 1 1 413.543 4.156 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+][C@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607571 939318247 /nfs/dbraw/zinc/31/82/47/939318247.db2.gz DVFWLSMMVDXZEC-RUZDIDTESA-N 1 1 400.501 4.436 20 30 HIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799776 939376953 /nfs/dbraw/zinc/37/69/53/939376953.db2.gz QCMKRKXUODYCAC-RBBKRZOGSA-N 1 1 415.896 4.070 20 30 HIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799776 939376956 /nfs/dbraw/zinc/37/69/56/939376956.db2.gz QCMKRKXUODYCAC-RBBKRZOGSA-N 1 1 415.896 4.070 20 30 HIEDMO COc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OCCCC#N ZINC000541247795 939487481 /nfs/dbraw/zinc/48/74/81/939487481.db2.gz ZGBZQRCYZWCISE-QGZVFWFLSA-N 1 1 422.451 4.430 20 30 HIEDMO COCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000541648063 939586288 /nfs/dbraw/zinc/58/62/88/939586288.db2.gz DEXSTEHONWXTMO-IBGZPJMESA-N 1 1 403.910 4.164 20 30 HIEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1sccc1Br ZINC000541881576 939648987 /nfs/dbraw/zinc/64/89/87/939648987.db2.gz JTHJXKOQERQZQY-WBMJQRKESA-N 1 1 404.333 4.228 20 30 HIEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966319 939665033 /nfs/dbraw/zinc/66/50/33/939665033.db2.gz XEGFRZPDNOMGHQ-UYAOXDASSA-N 1 1 422.495 4.424 20 30 HIEDMO Cc1cn(C2CCCCC2)nc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542364170 939808258 /nfs/dbraw/zinc/80/82/58/939808258.db2.gz GVHJKTOQXTWNPH-UHFFFAOYSA-N 1 1 420.561 4.308 20 30 HIEDMO Cc1cn(C2CCCCC2)nc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542364170 939808259 /nfs/dbraw/zinc/80/82/59/939808259.db2.gz GVHJKTOQXTWNPH-UHFFFAOYSA-N 1 1 420.561 4.308 20 30 HIEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCCOc1cccc(Br)c1 ZINC000542695799 939854969 /nfs/dbraw/zinc/85/49/69/939854969.db2.gz FBJFSHUXAGQYDQ-OAHLLOKOSA-N 1 1 419.319 4.165 20 30 HIEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000542708663 939855654 /nfs/dbraw/zinc/85/56/54/939855654.db2.gz KUXHSDRWAVTISQ-HNNXBMFYSA-N 1 1 410.352 4.414 20 30 HIEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000542880269 939864933 /nfs/dbraw/zinc/86/49/33/939864933.db2.gz APHTXTDJDLYKLN-UHFFFAOYSA-N 1 1 404.230 4.032 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000543240331 940005384 /nfs/dbraw/zinc/00/53/84/940005384.db2.gz VIUAMJRGYCZPHC-OAHLLOKOSA-N 1 1 407.543 4.096 20 30 HIEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c1C#N ZINC000543240331 940005386 /nfs/dbraw/zinc/00/53/86/940005386.db2.gz VIUAMJRGYCZPHC-OAHLLOKOSA-N 1 1 407.543 4.096 20 30 HIEDMO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C2CCCCC2)n1 ZINC000543397078 940050985 /nfs/dbraw/zinc/05/09/85/940050985.db2.gz WYIHIGSRBLISAU-UHFFFAOYSA-N 1 1 414.557 4.210 20 30 HIEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)nc1-c1ccc(Cl)cc1 ZINC000543503741 940088063 /nfs/dbraw/zinc/08/80/63/940088063.db2.gz KJASPZXFZXTPNY-XCLFUZPHSA-N 1 1 404.967 4.477 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125636 940332813 /nfs/dbraw/zinc/33/28/13/940332813.db2.gz NIVLEVWTTRNYFU-VPHKFGTKSA-N 1 1 405.542 4.234 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000544143027 940336644 /nfs/dbraw/zinc/33/66/44/940336644.db2.gz VNLVZJOHNBBJFZ-NLWGTHIKSA-N 1 1 404.432 4.217 20 30 HIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000544143027 940336648 /nfs/dbraw/zinc/33/66/48/940336648.db2.gz VNLVZJOHNBBJFZ-NLWGTHIKSA-N 1 1 404.432 4.217 20 30 HIEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544227693 940360764 /nfs/dbraw/zinc/36/07/64/940360764.db2.gz NCOQLOJVKSSMAQ-JOCHJYFZSA-N 1 1 420.557 4.040 20 30 HIEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544412031 940416639 /nfs/dbraw/zinc/41/66/39/940416639.db2.gz MWTIROZQRZMEPT-AUUYWEPGSA-N 1 1 406.288 4.427 20 30 HIEDMO C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425110 940424655 /nfs/dbraw/zinc/42/46/55/940424655.db2.gz OLBUTHPDGLFMLO-DLBZAZTESA-N 1 1 414.619 4.070 20 30 HIEDMO C=C(C)[C@H](Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)OCC ZINC000545766908 940584750 /nfs/dbraw/zinc/58/47/50/940584750.db2.gz FYQCSMJECQNHHU-IBGZPJMESA-N 1 1 404.942 4.056 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000546001683 940672940 /nfs/dbraw/zinc/67/29/40/940672940.db2.gz GDVSWAOAMCSRKO-DEOSSOPVSA-N 1 1 404.514 4.087 20 30 HIEDMO C=CC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000546099198 940698647 /nfs/dbraw/zinc/69/86/47/940698647.db2.gz KKPFKRDTWLSFRU-GFCCVEGCSA-N 1 1 408.453 4.195 20 30 HIEDMO C=CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000546099198 940698652 /nfs/dbraw/zinc/69/86/52/940698652.db2.gz KKPFKRDTWLSFRU-GFCCVEGCSA-N 1 1 408.453 4.195 20 30 HIEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000546580162 940857294 /nfs/dbraw/zinc/85/72/94/940857294.db2.gz XIQMGFCRQLBSOL-NRFANRHFSA-N 1 1 404.514 4.397 20 30 HIEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000546711013 940871599 /nfs/dbraw/zinc/87/15/99/940871599.db2.gz DUNUEXJGGFTWLP-IFMALSPDSA-N 1 1 404.514 4.085 20 30 HIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636821 941116765 /nfs/dbraw/zinc/11/67/65/941116765.db2.gz LGAYFJRDHRRORB-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636821 941116766 /nfs/dbraw/zinc/11/67/66/941116766.db2.gz LGAYFJRDHRRORB-UXHICEINSA-N 1 1 403.860 4.444 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000549171720 941168144 /nfs/dbraw/zinc/16/81/44/941168144.db2.gz JGWZBHWVQSQKGV-IBGZPJMESA-N 1 1 423.479 4.386 20 30 HIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000549171720 941168145 /nfs/dbraw/zinc/16/81/45/941168145.db2.gz JGWZBHWVQSQKGV-IBGZPJMESA-N 1 1 423.479 4.386 20 30 HIEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549691037 941204721 /nfs/dbraw/zinc/20/47/21/941204721.db2.gz SHEAYVWEDLGGPU-QFIPXVFZSA-N 1 1 416.573 4.183 20 30 HIEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000550526347 941335459 /nfs/dbraw/zinc/33/54/59/941335459.db2.gz XDZVIAYTIBDJQI-OAHLLOKOSA-N 1 1 414.550 4.235 20 30 HIEDMO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(F)c(F)cc3Br)CC2)cc1 ZINC000552100631 941585318 /nfs/dbraw/zinc/58/53/18/941585318.db2.gz OWSFPTXKUSYJRD-UHFFFAOYSA-N 1 1 420.301 4.353 20 30 HIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 ZINC000552326147 941632953 /nfs/dbraw/zinc/63/29/53/941632953.db2.gz IPQXTHSJGNXVGD-LBPRGKRZSA-N 1 1 415.342 4.056 20 30 HIEDMO N#CCC[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681725 941943561 /nfs/dbraw/zinc/94/35/61/941943561.db2.gz YNJGYOSEDUCZJO-UKILVPOCSA-N 1 1 402.542 4.339 20 30 HIEDMO C[C@H](C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553935951 942002392 /nfs/dbraw/zinc/00/23/92/942002392.db2.gz NMEDTJOBRKGNBC-MOPGFXCFSA-N 1 1 413.949 4.073 20 30 HIEDMO N#C[C@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000553988229 942013964 /nfs/dbraw/zinc/01/39/64/942013964.db2.gz ZRKVLOFIWKZOAH-KRWDZBQOSA-N 1 1 405.445 4.139 20 30 HIEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1C#N ZINC000554211473 942069350 /nfs/dbraw/zinc/06/93/50/942069350.db2.gz VPSGGHAKIJXRGF-UHFFFAOYSA-N 1 1 400.320 4.045 20 30 HIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1C#N ZINC000554211473 942069356 /nfs/dbraw/zinc/06/93/56/942069356.db2.gz VPSGGHAKIJXRGF-UHFFFAOYSA-N 1 1 400.320 4.045 20 30 HIEDMO C=C(C)COCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554916619 942318108 /nfs/dbraw/zinc/31/81/08/942318108.db2.gz MTSIHOLMMFBBRP-KRIYCRJKSA-N 1 1 405.970 4.146 20 30 HIEDMO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000554930589 942323987 /nfs/dbraw/zinc/32/39/87/942323987.db2.gz MXKUYWXGZPZWGD-CTNGQTDRSA-N 1 1 402.546 4.188 20 30 HIEDMO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000555213871 942432872 /nfs/dbraw/zinc/43/28/72/942432872.db2.gz DGDHQSNGXWXCFH-IZZNHLLZSA-N 1 1 424.548 4.368 20 30 HIEDMO N#CCCn1cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000555366321 942497215 /nfs/dbraw/zinc/49/72/15/942497215.db2.gz XSIITZKZPQXUKR-UHFFFAOYSA-N 1 1 423.524 4.209 20 30 HIEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000556706483 942930116 /nfs/dbraw/zinc/93/01/16/942930116.db2.gz FDBJQSHEGXKSDY-JOCHJYFZSA-N 1 1 406.530 4.294 20 30 HIEDMO C=CCOc1ccccc1CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557853754 943313049 /nfs/dbraw/zinc/31/30/49/943313049.db2.gz JEPUIOLCOBJOJH-RUZDIDTESA-N 1 1 405.542 4.059 20 30 HIEDMO C=CCOc1ccccc1CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557853755 943313369 /nfs/dbraw/zinc/31/33/69/943313369.db2.gz JEPUIOLCOBJOJH-VWLOTQADSA-N 1 1 405.542 4.059 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000558448029 943562014 /nfs/dbraw/zinc/56/20/14/943562014.db2.gz ORXDGKFLOXOFGP-YUVXSKOASA-N 1 1 409.578 4.223 20 30 HIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000559131384 943850369 /nfs/dbraw/zinc/85/03/69/943850369.db2.gz ZDAOKWVDWXPKQS-RVKKMQEKSA-N 1 1 419.451 4.126 20 30 HIEDMO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891605 944077786 /nfs/dbraw/zinc/07/77/86/944077786.db2.gz DGSWRXPTJVXAQG-CVDCTZTESA-N 1 1 407.533 4.277 20 30 HIEDMO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891605 944077791 /nfs/dbraw/zinc/07/77/91/944077791.db2.gz DGSWRXPTJVXAQG-CVDCTZTESA-N 1 1 407.533 4.277 20 30 HIEDMO Cc1ccc(C2=NN(C(=O)C[NH2+]C3(c4cccc(C#N)c4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000560173442 944186657 /nfs/dbraw/zinc/18/66/57/944186657.db2.gz HMLWVTICWWEWPR-QHCPKHFHSA-N 1 1 424.504 4.416 20 30 HIEDMO N#Cc1cccc(C2([NH2+]CC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)CC2)c1 ZINC000560176240 944187482 /nfs/dbraw/zinc/18/74/82/944187482.db2.gz YMHJLWABXRUYLA-IBGZPJMESA-N 1 1 416.506 4.169 20 30 HIEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1C#N ZINC000560485423 944238305 /nfs/dbraw/zinc/23/83/05/944238305.db2.gz PZXUUSQZOOMARN-LJQANCHMSA-N 1 1 404.388 4.484 20 30 HIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611795 944273291 /nfs/dbraw/zinc/27/32/91/944273291.db2.gz IQSYGZUBRDQZEZ-NRFANRHFSA-N 1 1 407.905 4.165 20 30 HIEDMO C=CCc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000560756581 944321090 /nfs/dbraw/zinc/32/10/90/944321090.db2.gz KZQDNUKREUPVDA-AREMUKBSSA-N 1 1 420.553 4.171 20 30 HIEDMO C=CCOc1ccc(CNC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561877846 944833420 /nfs/dbraw/zinc/83/34/20/944833420.db2.gz SEAYCQOCYJKTPP-QHCPKHFHSA-N 1 1 407.558 4.305 20 30 HIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1Cl ZINC000561910025 944851370 /nfs/dbraw/zinc/85/13/70/944851370.db2.gz HSULHNLMZKBHGU-OAQYLSRUSA-N 1 1 411.933 4.436 20 30 HIEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000561951837 944871795 /nfs/dbraw/zinc/87/17/95/944871795.db2.gz ZIMIWXSLHOAOHH-LEWJYISDSA-N 1 1 409.555 4.419 20 30 HIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000561951837 944871799 /nfs/dbraw/zinc/87/17/99/944871799.db2.gz ZIMIWXSLHOAOHH-LEWJYISDSA-N 1 1 409.555 4.419 20 30 HIEDMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc2)c1 ZINC000562089235 944932328 /nfs/dbraw/zinc/93/23/28/944932328.db2.gz RLTOANYAOWQIAW-DNQXCXABSA-N 1 1 420.509 4.467 20 30 HIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cn3cc(C)ccc3n2)cc1OC ZINC000562228565 945032708 /nfs/dbraw/zinc/03/27/08/945032708.db2.gz FBFZXXQHIVUXTD-UHFFFAOYSA-N 1 1 416.319 4.268 20 30 HIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc4sccc4c3)CC2)cc1 ZINC000562254641 945045796 /nfs/dbraw/zinc/04/57/96/945045796.db2.gz UNOHGZRCFWJEQH-UHFFFAOYSA-N 1 1 404.539 4.190 20 30 HIEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000564375356 945540278 /nfs/dbraw/zinc/54/02/78/945540278.db2.gz DCBISSAVAQCWKE-VGSWGCGISA-N 1 1 404.562 4.154 20 30 HIEDMO CC(C)Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000564623021 945712687 /nfs/dbraw/zinc/71/26/87/945712687.db2.gz UUGQOGPKHBAJJZ-UHFFFAOYSA-N 1 1 406.578 4.176 20 30 HIEDMO Cc1nsc(N2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)c1C#N ZINC000566042001 945992875 /nfs/dbraw/zinc/99/28/75/945992875.db2.gz KDEDVFLTYPOFLQ-UHFFFAOYSA-N 1 1 403.433 4.217 20 30 HIEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566374214 946012608 /nfs/dbraw/zinc/01/26/08/946012608.db2.gz UMUBVEZORNRPAI-YUVXSKOASA-N 1 1 409.578 4.051 20 30 HIEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000567037507 946224800 /nfs/dbraw/zinc/22/48/00/946224800.db2.gz MNXOBWBIPIYECD-UHFFFAOYSA-N 1 1 419.422 4.245 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000567318913 946310639 /nfs/dbraw/zinc/31/06/39/946310639.db2.gz AQGBOWFVHFSSOA-HRAATJIYSA-N 1 1 423.582 4.455 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 ZINC000567318913 946310659 /nfs/dbraw/zinc/31/06/59/946310659.db2.gz AQGBOWFVHFSSOA-HRAATJIYSA-N 1 1 423.582 4.455 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000567318915 946311205 /nfs/dbraw/zinc/31/12/05/946311205.db2.gz AQGBOWFVHFSSOA-IIBYNOLFSA-N 1 1 423.582 4.455 20 30 HIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 ZINC000567318915 946311219 /nfs/dbraw/zinc/31/12/19/946311219.db2.gz AQGBOWFVHFSSOA-IIBYNOLFSA-N 1 1 423.582 4.455 20 30 HIEDMO CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000569914755 947045135 /nfs/dbraw/zinc/04/51/35/947045135.db2.gz MTVYYMHICQOCDN-CBQGHPETSA-N 1 1 418.541 4.421 20 30 HIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3ccncc3)C1)CCCCC2 ZINC000569969436 947057175 /nfs/dbraw/zinc/05/71/75/947057175.db2.gz ZUWQDZCHXQEOSP-GOSISDBHSA-N 1 1 408.571 4.492 20 30 HIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000570671141 947325032 /nfs/dbraw/zinc/32/50/32/947325032.db2.gz UADDOJPLRYSJRS-CTNGQTDRSA-N 1 1 404.432 4.130 20 30 HIEDMO C[C@@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000571598224 947723274 /nfs/dbraw/zinc/72/32/74/947723274.db2.gz NJLXLYFHBQQJPJ-OAHLLOKOSA-N 1 1 420.340 4.191 20 30 HIEDMO C[C@@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000571598224 947723278 /nfs/dbraw/zinc/72/32/78/947723278.db2.gz NJLXLYFHBQQJPJ-OAHLLOKOSA-N 1 1 420.340 4.191 20 30 HIEDMO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)c(F)c1 ZINC000572142933 947849619 /nfs/dbraw/zinc/84/96/19/947849619.db2.gz PPDHNPXOEZIUBD-UHFFFAOYSA-N 1 1 412.415 4.409 20 30 HIEDMO Cc1nc(C[NH+]2CCC(CNc3cc(Br)c(C#N)cc3F)CC2)oc1C ZINC000572681546 947982520 /nfs/dbraw/zinc/98/25/20/947982520.db2.gz YXHINBPRDDLQFQ-UHFFFAOYSA-N 1 1 421.314 4.389 20 30 HIEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000574559478 948473865 /nfs/dbraw/zinc/47/38/65/948473865.db2.gz XPTGTNFKYNSRKE-APWZRJJASA-N 1 1 411.477 4.003 20 30 HIEDMO Cn1cc(-c2ccc(C[NH+]3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)s2)cn1 ZINC000575141175 948603342 /nfs/dbraw/zinc/60/33/42/948603342.db2.gz MGWFENHJYAQZNG-HXUWFJFHSA-N 1 1 411.962 4.184 20 30 HIEDMO