smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000619361106 1125579666 /nfs/dbraw/zinc/57/96/66/1125579666.db2.gz VPCYMECHHAGQPD-GJZGRUSLSA-N 1 1 369.962 4.220 20 30 FIEDMO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(C#N)cn2)cc1OCC ZINC000780557512 1125588205 /nfs/dbraw/zinc/58/82/05/1125588205.db2.gz YMZGOMXQESRJTF-UHFFFAOYSA-N 1 1 359.857 4.084 20 30 FIEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000619510120 1125603264 /nfs/dbraw/zinc/60/32/64/1125603264.db2.gz RNYGYGOQPPJXDJ-UHFFFAOYSA-N 1 1 370.456 4.068 20 30 FIEDMO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000153107055 1125737936 /nfs/dbraw/zinc/73/79/36/1125737936.db2.gz ULNDAJMAIGNIAC-UHFFFAOYSA-N 1 1 368.308 4.081 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(OCC#N)cc1 ZINC000274563307 1079561179 /nfs/dbraw/zinc/56/11/79/1079561179.db2.gz GJDAEAXVUTWWNL-MNOVXSKESA-N 1 1 355.385 4.476 20 30 FIEDMO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471155682 1079980344 /nfs/dbraw/zinc/98/03/44/1079980344.db2.gz GTISBUIMNGCDNQ-JXFKEZNVSA-N 1 1 371.431 4.231 20 30 FIEDMO Cc1cccc(C[N@@H+](CCOc2ccccc2C#N)Cc2ccccn2)c1 ZINC000471178742 1080129942 /nfs/dbraw/zinc/12/99/42/1080129942.db2.gz XJHIWPISDFAPTF-UHFFFAOYSA-N 1 1 357.457 4.343 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1cccc(C#N)c1 ZINC000063300296 1080242349 /nfs/dbraw/zinc/24/23/49/1080242349.db2.gz GBRARAMJLLVXOY-UHFFFAOYSA-N 1 1 371.843 4.368 20 30 FIEDMO N#Cc1ccc(C[N@@H+](CCn2ccnc2)Cc2cccc(Cl)c2)cc1F ZINC000430292334 1080425877 /nfs/dbraw/zinc/42/58/77/1080425877.db2.gz IQLOOAJRORCYOX-UHFFFAOYSA-N 1 1 368.843 4.250 20 30 FIEDMO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)cc1Cl ZINC001167156506 1080754702 /nfs/dbraw/zinc/75/47/02/1080754702.db2.gz BASXYDYZDBOOIH-UHFFFAOYSA-N 1 1 367.880 4.452 20 30 FIEDMO C#CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@H]1CCc2ccccc21 ZINC001167179102 1080798155 /nfs/dbraw/zinc/79/81/55/1080798155.db2.gz VRKGVLVMAWJJJF-UKILVPOCSA-N 1 1 372.512 4.185 20 30 FIEDMO C#CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@H]1CCc2ccccc21 ZINC001167179102 1080798164 /nfs/dbraw/zinc/79/81/64/1080798164.db2.gz VRKGVLVMAWJJJF-UKILVPOCSA-N 1 1 372.512 4.185 20 30 FIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167233379 1080881298 /nfs/dbraw/zinc/88/12/98/1080881298.db2.gz JYMPSLSWWZZHKQ-GOSISDBHSA-N 1 1 372.415 4.375 20 30 FIEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000610270954 1080996647 /nfs/dbraw/zinc/99/66/47/1080996647.db2.gz XCFVUVGVBPRDPY-UHFFFAOYSA-N 1 1 354.816 4.135 20 30 FIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000547962033 1081232589 /nfs/dbraw/zinc/23/25/89/1081232589.db2.gz XVIPPYCMPZFIBC-QAPCUYQASA-N 1 1 373.909 4.086 20 30 FIEDMO CC(C)Oc1cccc(C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001648829895 1081266808 /nfs/dbraw/zinc/26/68/08/1081266808.db2.gz ACDFTQGGHCZCJL-UHFFFAOYSA-N 1 1 359.267 4.398 20 30 FIEDMO C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1cccc(C#N)c1 ZINC000610346021 1081501080 /nfs/dbraw/zinc/50/10/80/1081501080.db2.gz HPTQUOHQHYVENX-FDDCHVKYSA-N 1 1 369.468 4.267 20 30 FIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249220 1081561633 /nfs/dbraw/zinc/56/16/33/1081561633.db2.gz VFKZCTMKYGAVBD-ZWKOTPCHSA-N 1 1 368.481 4.024 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000471605690 1082065307 /nfs/dbraw/zinc/06/53/07/1082065307.db2.gz JPZRWNSNCXKACS-FQEVSTJZSA-N 1 1 357.542 4.286 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000580735295 1082107280 /nfs/dbraw/zinc/10/72/80/1082107280.db2.gz GJUGZWRXWVBLAT-SBHAEUEKSA-N 1 1 361.489 4.200 20 30 FIEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000156930369 1082389817 /nfs/dbraw/zinc/38/98/17/1082389817.db2.gz CIQQVVITZVHPMA-DYESRHJHSA-N 1 1 351.469 4.182 20 30 FIEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1sccc1C#N)c1ccc(Cl)cc1 ZINC000581301451 1082444512 /nfs/dbraw/zinc/44/45/12/1082444512.db2.gz BHDVCMMGLWCRFE-MRXNPFEDSA-N 1 1 361.898 4.086 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000187423711 1082712377 /nfs/dbraw/zinc/71/23/77/1082712377.db2.gz BHCRTCXRBKIFNQ-CQSZACIVSA-N 1 1 353.853 4.189 20 30 FIEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000430630576 1082768915 /nfs/dbraw/zinc/76/89/15/1082768915.db2.gz SKGLXJZFKATIHU-RXVVDRJESA-N 1 1 364.489 4.034 20 30 FIEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001266812587 1082858916 /nfs/dbraw/zinc/85/89/16/1082858916.db2.gz QHSZETJRRSJNTK-FRIZHTMISA-N 1 1 352.881 4.190 20 30 FIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nccs1 ZINC000130265366 1082906230 /nfs/dbraw/zinc/90/62/30/1082906230.db2.gz HVHJTHUPXPOUSM-WMZOPIPTSA-N 1 1 370.522 4.136 20 30 FIEDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Cl)cc3C#N)ccc2NC1=O ZINC000187434848 1082942162 /nfs/dbraw/zinc/94/21/62/1082942162.db2.gz HGMNDUHKVDZWBX-KPZWWZAWSA-N 1 1 369.852 4.172 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000430768385 1083162254 /nfs/dbraw/zinc/16/22/54/1083162254.db2.gz KVOCLFCALFSORT-FTRWYGJKSA-N 1 1 365.901 4.063 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000430768385 1083162258 /nfs/dbraw/zinc/16/22/58/1083162258.db2.gz KVOCLFCALFSORT-FTRWYGJKSA-N 1 1 365.901 4.063 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000510662481 1083226540 /nfs/dbraw/zinc/22/65/40/1083226540.db2.gz LQEFOIFCCYSCJP-UHFFFAOYSA-N 1 1 361.445 4.466 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000092504570 1083413403 /nfs/dbraw/zinc/41/34/03/1083413403.db2.gz QIXZFHBNUZVPGY-UHFFFAOYSA-N 1 1 366.461 4.162 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000092504570 1083413409 /nfs/dbraw/zinc/41/34/09/1083413409.db2.gz QIXZFHBNUZVPGY-UHFFFAOYSA-N 1 1 366.461 4.162 20 30 FIEDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179463665 1083475095 /nfs/dbraw/zinc/47/50/95/1083475095.db2.gz MEAHPHWKJMQJIM-AWEZNQCLSA-N 1 1 369.421 4.067 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179463665 1083475098 /nfs/dbraw/zinc/47/50/98/1083475098.db2.gz MEAHPHWKJMQJIM-AWEZNQCLSA-N 1 1 369.421 4.067 20 30 FIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093870878 1083502874 /nfs/dbraw/zinc/50/28/74/1083502874.db2.gz WYRPDRABMJXENP-QGZVFWFLSA-N 1 1 356.539 4.427 20 30 FIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610788102 1083516928 /nfs/dbraw/zinc/51/69/28/1083516928.db2.gz UHNZDPRHWYNRGQ-NRFANRHFSA-N 1 1 358.445 4.364 20 30 FIEDMO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000535816033 1083708612 /nfs/dbraw/zinc/70/86/12/1083708612.db2.gz RTRITJHKDKSTCE-UHFFFAOYSA-N 1 1 361.536 4.051 20 30 FIEDMO C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000610830039 1083744905 /nfs/dbraw/zinc/74/49/05/1083744905.db2.gz YSRNERQHANIXIR-KRWDZBQOSA-N 1 1 351.469 4.055 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1OCCCC#N ZINC000092758283 1083794882 /nfs/dbraw/zinc/79/48/82/1083794882.db2.gz KATIVSSEQGTYGA-FQEVSTJZSA-N 1 1 365.477 4.064 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179885174 1083829192 /nfs/dbraw/zinc/82/91/92/1083829192.db2.gz JYESGNJZCNBZEZ-UHFFFAOYSA-N 1 1 350.853 4.244 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccoc1 ZINC000610943837 1083859334 /nfs/dbraw/zinc/85/93/34/1083859334.db2.gz LZHJUXLJSZFPCY-CQSZACIVSA-N 1 1 371.506 4.188 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610944671 1083860668 /nfs/dbraw/zinc/86/06/68/1083860668.db2.gz IOBGVEJQBCBUQJ-FQEVSTJZSA-N 1 1 363.461 4.123 20 30 FIEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610953124 1083876417 /nfs/dbraw/zinc/87/64/17/1083876417.db2.gz AKTDLRHNLLWXJQ-KNQAVFIVSA-N 1 1 350.462 4.167 20 30 FIEDMO COc1ccc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1C#N ZINC000610991190 1083933287 /nfs/dbraw/zinc/93/32/87/1083933287.db2.gz BRMUSEINOMQGRZ-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1C#N ZINC000610991190 1083933291 /nfs/dbraw/zinc/93/32/91/1083933291.db2.gz BRMUSEINOMQGRZ-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570318407 1084027813 /nfs/dbraw/zinc/02/78/13/1084027813.db2.gz GAMSWDDHNKXMSW-SFQUDFHCSA-N 1 1 365.433 4.018 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c(C#N)c1C ZINC001167505745 1084202559 /nfs/dbraw/zinc/20/25/59/1084202559.db2.gz VFOZOQDTJZSUDP-UHFFFAOYSA-N 1 1 369.534 4.393 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+](C)CC(C)(C)c2ccc(C)cc2)c(C#N)c1C ZINC001167505745 1084202565 /nfs/dbraw/zinc/20/25/65/1084202565.db2.gz VFOZOQDTJZSUDP-UHFFFAOYSA-N 1 1 369.534 4.393 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000071954844 1084392375 /nfs/dbraw/zinc/39/23/75/1084392375.db2.gz XJFXOKNHWNRJDA-MRXNPFEDSA-N 1 1 364.449 4.310 20 30 FIEDMO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1OCCCC#N ZINC000105498375 1084405247 /nfs/dbraw/zinc/40/52/47/1084405247.db2.gz SRUSJGXFYMSAKA-UHFFFAOYSA-N 1 1 373.522 4.422 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000173620467 1084660412 /nfs/dbraw/zinc/66/04/12/1084660412.db2.gz PUHRECUKMARUKT-MGPUTAFESA-N 1 1 351.425 4.109 20 30 FIEDMO CCN(CCC#N)C(=O)C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001167550601 1084673587 /nfs/dbraw/zinc/67/35/87/1084673587.db2.gz XZUDFTZPWNCNRZ-LEWJYISDSA-N 1 1 359.558 4.352 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccsc1 ZINC000582268344 1084817116 /nfs/dbraw/zinc/81/71/16/1084817116.db2.gz KFSXZNCXQGDOFH-UHFFFAOYSA-N 1 1 355.511 4.494 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccsc1 ZINC000582268344 1084817120 /nfs/dbraw/zinc/81/71/20/1084817120.db2.gz KFSXZNCXQGDOFH-UHFFFAOYSA-N 1 1 355.511 4.494 20 30 FIEDMO C=CCN(C(=O)CC[N@H+](C)C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000548719323 1084819694 /nfs/dbraw/zinc/81/96/94/1084819694.db2.gz CHJRBXMUINPMAG-UHFFFAOYSA-N 1 1 361.555 4.196 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000187731519 1084843073 /nfs/dbraw/zinc/84/30/73/1084843073.db2.gz HCNFHWUYKLDBRQ-MRXNPFEDSA-N 1 1 367.880 4.121 20 30 FIEDMO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135063519 1084934828 /nfs/dbraw/zinc/93/48/28/1084934828.db2.gz LNNLKHNWLBGWMM-NRFANRHFSA-N 1 1 357.856 4.276 20 30 FIEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000478380323 1084940391 /nfs/dbraw/zinc/94/03/91/1084940391.db2.gz VPBOUCPKXAQXRZ-HOTGVXAUSA-N 1 1 369.896 4.433 20 30 FIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000582505298 1085080010 /nfs/dbraw/zinc/08/00/10/1085080010.db2.gz FKMGOSKNFMVMPD-HXUWFJFHSA-N 1 1 369.472 4.132 20 30 FIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000511842161 1085121784 /nfs/dbraw/zinc/12/17/84/1085121784.db2.gz FYRPQCXQNWQOCQ-UHFFFAOYSA-N 1 1 350.491 4.363 20 30 FIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000511842161 1085121785 /nfs/dbraw/zinc/12/17/85/1085121785.db2.gz FYRPQCXQNWQOCQ-UHFFFAOYSA-N 1 1 350.491 4.363 20 30 FIEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400365 /nfs/dbraw/zinc/40/03/65/1085400365.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400392 /nfs/dbraw/zinc/40/03/92/1085400392.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400396 /nfs/dbraw/zinc/40/03/96/1085400396.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 1 1 353.535 4.443 20 30 FIEDMO Fc1ccccc1OCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451556 1085482052 /nfs/dbraw/zinc/48/20/52/1085482052.db2.gz QNJMKHWJSINNDY-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO Fc1ccccc1OCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451556 1085482057 /nfs/dbraw/zinc/48/20/57/1085482057.db2.gz QNJMKHWJSINNDY-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187765358 1085508508 /nfs/dbraw/zinc/50/85/08/1085508508.db2.gz HADYDRLGPIPJAK-SFHVURJKSA-N 1 1 352.331 4.089 20 30 FIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075745133 1085528963 /nfs/dbraw/zinc/52/89/63/1085528963.db2.gz TXLWJNXQOLGKFJ-INIZCTEOSA-N 1 1 350.447 4.315 20 30 FIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000075745133 1085528969 /nfs/dbraw/zinc/52/89/69/1085528969.db2.gz TXLWJNXQOLGKFJ-INIZCTEOSA-N 1 1 350.447 4.315 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380656 1085539569 /nfs/dbraw/zinc/53/95/69/1085539569.db2.gz HZIFTMODHZCZKB-RTBURBONSA-N 1 1 366.509 4.104 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000487354518 1085568882 /nfs/dbraw/zinc/56/88/82/1085568882.db2.gz GMSMIAXMDOWLOF-UHFFFAOYSA-N 1 1 355.432 4.088 20 30 FIEDMO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472253821 1085652503 /nfs/dbraw/zinc/65/25/03/1085652503.db2.gz ARRMBQZKBCFAMO-KRWDZBQOSA-N 1 1 357.457 4.184 20 30 FIEDMO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472253821 1085652506 /nfs/dbraw/zinc/65/25/06/1085652506.db2.gz ARRMBQZKBCFAMO-KRWDZBQOSA-N 1 1 357.457 4.184 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(C)(C)C ZINC000661759431 1085804216 /nfs/dbraw/zinc/80/42/16/1085804216.db2.gz GAGFUUYCUIEBIL-UHFFFAOYSA-N 1 1 354.498 4.104 20 30 FIEDMO C=CCC1([NH2+]Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CCCC1 ZINC000661851841 1085865510 /nfs/dbraw/zinc/86/55/10/1085865510.db2.gz GPJVZQDMXRKHPK-UHFFFAOYSA-N 1 1 356.495 4.077 20 30 FIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](COCC)C2)cc1OC ZINC000628175552 1085876867 /nfs/dbraw/zinc/87/68/67/1085876867.db2.gz BDFUNGNOTHPRTM-HNNXBMFYSA-N 1 1 353.890 4.162 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000582988969 1085998319 /nfs/dbraw/zinc/99/83/19/1085998319.db2.gz ZZCJZKWZTIWQJK-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000487372589 1086015423 /nfs/dbraw/zinc/01/54/23/1086015423.db2.gz ZHYWQBKATNMQRL-UHFFFAOYSA-N 1 1 367.537 4.102 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000662088046 1086120043 /nfs/dbraw/zinc/12/00/43/1086120043.db2.gz UFGWRGGTKLTVHL-HDICACEKSA-N 1 1 353.491 4.007 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000247036321 1086146042 /nfs/dbraw/zinc/14/60/42/1086146042.db2.gz FEUFFFPCZKQRMM-GVDBMIGSSA-N 1 1 374.554 4.180 20 30 FIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419091 1086261720 /nfs/dbraw/zinc/26/17/20/1086261720.db2.gz LNVFAMBNSBDTIN-KSSFIOAISA-N 1 1 356.293 4.320 20 30 FIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419091 1086261729 /nfs/dbraw/zinc/26/17/29/1086261729.db2.gz LNVFAMBNSBDTIN-KSSFIOAISA-N 1 1 356.293 4.320 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918718 1086304858 /nfs/dbraw/zinc/30/48/58/1086304858.db2.gz WONMPKLHCQOORN-IVZQSRNASA-N 1 1 373.431 4.242 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)cc1-c1ccnn1C ZINC000583275967 1086508304 /nfs/dbraw/zinc/50/83/04/1086508304.db2.gz FXFFTTMKZVAODM-UHFFFAOYSA-N 1 1 356.473 4.455 20 30 FIEDMO CCC1CCC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000725797364 1086546912 /nfs/dbraw/zinc/54/69/12/1086546912.db2.gz YEIWXIBWRNXTIO-GPANFISMSA-N 1 1 355.507 4.373 20 30 FIEDMO CCC1CCC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000725797364 1086546921 /nfs/dbraw/zinc/54/69/21/1086546921.db2.gz YEIWXIBWRNXTIO-GPANFISMSA-N 1 1 355.507 4.373 20 30 FIEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccncc1C#N)[C@H](C1CCCCC1)C2 ZINC001167667598 1086567217 /nfs/dbraw/zinc/56/72/17/1086567217.db2.gz IEYJTSNWNAHEIZ-QHCPKHFHSA-N 1 1 361.489 4.469 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](Cc1ccncc1C#N)[C@H](C1CCCCC1)C2 ZINC001167667598 1086567225 /nfs/dbraw/zinc/56/72/25/1086567225.db2.gz IEYJTSNWNAHEIZ-QHCPKHFHSA-N 1 1 361.489 4.469 20 30 FIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C(C)(C)c1ccccc1 ZINC000585754255 1086686207 /nfs/dbraw/zinc/68/62/07/1086686207.db2.gz BQBAFIJBZVOMLQ-UHFFFAOYSA-N 1 1 353.491 4.108 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCCC[C@@H]3CCO)c2)c1 ZINC000585767858 1086694054 /nfs/dbraw/zinc/69/40/54/1086694054.db2.gz OOQWWSMHAGYOBG-JOCHJYFZSA-N 1 1 364.489 4.264 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000585767922 1086695651 /nfs/dbraw/zinc/69/56/51/1086695651.db2.gz HDGPAZDCBHMWPG-HSZRJFAPSA-N 1 1 362.473 4.140 20 30 FIEDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1N[C@H]1CC[C@H](C#N)CC1)N=[N+]=[N-] ZINC001167842315 1086747327 /nfs/dbraw/zinc/74/73/27/1086747327.db2.gz HVFBROZNVWOGLZ-HKBWDPEPSA-N 1 1 368.441 4.407 20 30 FIEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458592283 1086798066 /nfs/dbraw/zinc/79/80/66/1086798066.db2.gz ZABOBHIMGIHCAA-PZJWPPBQSA-N 1 1 370.541 4.089 20 30 FIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)cc1 ZINC000157178179 1086860066 /nfs/dbraw/zinc/86/00/66/1086860066.db2.gz AHKHEIYBXZNPTJ-CYBMUJFWSA-N 1 1 351.903 4.191 20 30 FIEDMO C=C[C@@H](CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000536205870 1087144894 /nfs/dbraw/zinc/14/48/94/1087144894.db2.gz ZGXSGLFVAGKQAP-UNMCSNQZSA-N 1 1 362.517 4.469 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000052843169 1087190857 /nfs/dbraw/zinc/19/08/57/1087190857.db2.gz QOVVRFKKRUALIG-GOSISDBHSA-N 1 1 361.489 4.220 20 30 FIEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918714 1087459201 /nfs/dbraw/zinc/45/92/01/1087459201.db2.gz WONMPKLHCQOORN-QRQCRPRQSA-N 1 1 373.431 4.242 20 30 FIEDMO C=CCC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CCCC1 ZINC001125731261 1087564424 /nfs/dbraw/zinc/56/44/24/1087564424.db2.gz SOOQTNBIQWVOHG-UHFFFAOYSA-N 1 1 361.917 4.167 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000187789006 1087615445 /nfs/dbraw/zinc/61/54/45/1087615445.db2.gz LUCVRHQAISXBTG-GOSISDBHSA-N 1 1 352.331 4.089 20 30 FIEDMO COc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1OCCCC#N ZINC000424188738 1087832663 /nfs/dbraw/zinc/83/26/63/1087832663.db2.gz CCPYXHNLHJHNQL-SFTDATJTSA-N 1 1 354.425 4.105 20 30 FIEDMO COc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1OCCCC#N ZINC000424188736 1087833764 /nfs/dbraw/zinc/83/37/64/1087833764.db2.gz CCPYXHNLHJHNQL-NHCUHLMSSA-N 1 1 354.425 4.105 20 30 FIEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)nn1 ZINC000424291126 1087900969 /nfs/dbraw/zinc/90/09/69/1087900969.db2.gz CZUHITQEFAHLGG-KRWDZBQOSA-N 1 1 365.506 4.063 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180553811 1087970275 /nfs/dbraw/zinc/97/02/75/1087970275.db2.gz QXVZELAHZZWGSX-INIZCTEOSA-N 1 1 352.331 4.489 20 30 FIEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000549080735 1088043729 /nfs/dbraw/zinc/04/37/29/1088043729.db2.gz DWKULEXQRWJNGO-JLYLLQBASA-N 1 1 373.422 4.201 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000505017755 1088052730 /nfs/dbraw/zinc/05/27/30/1088052730.db2.gz YXQMGFOKXCRGNE-UHFFFAOYSA-N 1 1 364.493 4.299 20 30 FIEDMO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000424639271 1088117565 /nfs/dbraw/zinc/11/75/65/1088117565.db2.gz MBKJRTSOLIRKMA-UHFFFAOYSA-N 1 1 367.493 4.025 20 30 FIEDMO Cc1sc2nc(C[NH+](C)C)nc(N[C@@H](C)c3cccc(C#N)c3)c2c1C ZINC001167707179 1088321619 /nfs/dbraw/zinc/32/16/19/1088321619.db2.gz IIOBBPYYGMLZKE-ZDUSSCGKSA-N 1 1 365.506 4.415 20 30 FIEDMO CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000049802135 1088696074 /nfs/dbraw/zinc/69/60/74/1088696074.db2.gz GSILNTRRUDEMSM-UHFFFAOYSA-N 1 1 351.422 4.408 20 30 FIEDMO CCC(CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000514088761 1088731286 /nfs/dbraw/zinc/73/12/86/1088731286.db2.gz MMYJOXUZLUHGMU-QHCPKHFHSA-N 1 1 368.569 4.017 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000434675105 1088939223 /nfs/dbraw/zinc/93/92/23/1088939223.db2.gz XNQQWUUKFMWMME-UHFFFAOYSA-N 1 1 350.553 4.121 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC(C)(C)CC1 ZINC000434675105 1088939225 /nfs/dbraw/zinc/93/92/25/1088939225.db2.gz XNQQWUUKFMWMME-UHFFFAOYSA-N 1 1 350.553 4.121 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000376991187 1088973574 /nfs/dbraw/zinc/97/35/74/1088973574.db2.gz CXYKMAWGXXXXFP-GOSISDBHSA-N 1 1 362.562 4.002 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000434724885 1088975888 /nfs/dbraw/zinc/97/58/88/1088975888.db2.gz GSFAQPGLDNJFMV-AWEZNQCLSA-N 1 1 357.404 4.248 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434739121 1089007482 /nfs/dbraw/zinc/00/74/82/1089007482.db2.gz VFEVMFPSGRBHAI-ZHRRBRCNSA-N 1 1 365.477 4.067 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434739121 1089007499 /nfs/dbraw/zinc/00/74/99/1089007499.db2.gz VFEVMFPSGRBHAI-ZHRRBRCNSA-N 1 1 365.477 4.067 20 30 FIEDMO COc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000505526664 1089051384 /nfs/dbraw/zinc/05/13/84/1089051384.db2.gz OQLJEKWLMBTFEN-KRWDZBQOSA-N 1 1 350.462 4.246 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000425229752 1089097725 /nfs/dbraw/zinc/09/77/25/1089097725.db2.gz LNQDUBUFTKAYTG-RDTXWAMCSA-N 1 1 356.451 4.023 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)c1C#N ZINC000514630766 1089270722 /nfs/dbraw/zinc/27/07/22/1089270722.db2.gz MZSWNXFPRXIUHA-AWEZNQCLSA-N 1 1 362.404 4.488 20 30 FIEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123531 1089302289 /nfs/dbraw/zinc/30/22/89/1089302289.db2.gz HJMRIHPSZRAVRM-HXUWFJFHSA-N 1 1 351.498 4.259 20 30 FIEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236658848 1089740952 /nfs/dbraw/zinc/74/09/52/1089740952.db2.gz FRNVURHOZMWJFU-GOSISDBHSA-N 1 1 351.494 4.107 20 30 FIEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000515121819 1089799028 /nfs/dbraw/zinc/79/90/28/1089799028.db2.gz PWEUTYPYPABANL-FQEVSTJZSA-N 1 1 361.445 4.165 20 30 FIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000515121819 1089799036 /nfs/dbraw/zinc/79/90/36/1089799036.db2.gz PWEUTYPYPABANL-FQEVSTJZSA-N 1 1 361.445 4.165 20 30 FIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472879064 1089865711 /nfs/dbraw/zinc/86/57/11/1089865711.db2.gz VIHBMXDYBSGTTA-WIYYLYMNSA-N 1 1 361.489 4.033 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000435760587 1089923356 /nfs/dbraw/zinc/92/33/56/1089923356.db2.gz KZEORMGLMDAYIJ-HKBOAZHASA-N 1 1 355.526 4.351 20 30 FIEDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000515268052 1089928234 /nfs/dbraw/zinc/92/82/34/1089928234.db2.gz LRADTBBPQAUDRA-YADHBBJMSA-N 1 1 356.473 4.438 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(Br)c1 ZINC000481121122 1090196060 /nfs/dbraw/zinc/19/60/60/1090196060.db2.gz TZTUOBSLJAJSMV-GOSISDBHSA-N 1 1 370.294 4.397 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(Br)c1 ZINC000481121122 1090196064 /nfs/dbraw/zinc/19/60/64/1090196064.db2.gz TZTUOBSLJAJSMV-GOSISDBHSA-N 1 1 370.294 4.397 20 30 FIEDMO C#CCCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000236686678 1090553762 /nfs/dbraw/zinc/55/37/62/1090553762.db2.gz GLBPBNAREURNRY-CWAQXLGLSA-N 1 1 374.528 4.374 20 30 FIEDMO C#CCCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000236686678 1090553767 /nfs/dbraw/zinc/55/37/67/1090553767.db2.gz GLBPBNAREURNRY-CWAQXLGLSA-N 1 1 374.528 4.374 20 30 FIEDMO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855785 1090774203 /nfs/dbraw/zinc/77/42/03/1090774203.db2.gz XUWROVWZAIWGJN-UHFFFAOYSA-N 1 1 373.431 4.435 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855785 1090774216 /nfs/dbraw/zinc/77/42/16/1090774216.db2.gz XUWROVWZAIWGJN-UHFFFAOYSA-N 1 1 373.431 4.435 20 30 FIEDMO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c(Cl)cccc1Cl)CC2 ZINC001203416539 1091338249 /nfs/dbraw/zinc/33/82/49/1091338249.db2.gz OVGJUFJWQYKDJG-UHFFFAOYSA-N 1 1 369.292 4.214 20 30 FIEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330246375 1091403486 /nfs/dbraw/zinc/40/34/86/1091403486.db2.gz LEKICOYTKSWLOX-UKRRQHHQSA-N 1 1 359.495 4.021 20 30 FIEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330246375 1091403492 /nfs/dbraw/zinc/40/34/92/1091403492.db2.gz LEKICOYTKSWLOX-UKRRQHHQSA-N 1 1 359.495 4.021 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511757127 1091623299 /nfs/dbraw/zinc/62/32/99/1091623299.db2.gz CBWMTCGFPJUKJZ-HKBOAZHASA-N 1 1 352.865 4.216 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c(C#N)c1C ZINC000438870195 1092324205 /nfs/dbraw/zinc/32/42/05/1092324205.db2.gz AQRZUQCFRANKFR-UHFFFAOYSA-N 1 1 369.440 4.291 20 30 FIEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000521291058 1092620884 /nfs/dbraw/zinc/62/08/84/1092620884.db2.gz JYKFBPGYCMVHRD-NRFANRHFSA-N 1 1 370.541 4.134 20 30 FIEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000512541959 1092697076 /nfs/dbraw/zinc/69/70/76/1092697076.db2.gz JOZMSDPTXOENBH-UHFFFAOYSA-N 1 1 354.498 4.179 20 30 FIEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000521701408 1092874529 /nfs/dbraw/zinc/87/45/29/1092874529.db2.gz IHBNUOKSXHIKLK-UHFFFAOYSA-N 1 1 364.396 4.227 20 30 FIEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000521701408 1092874544 /nfs/dbraw/zinc/87/45/44/1092874544.db2.gz IHBNUOKSXHIKLK-UHFFFAOYSA-N 1 1 364.396 4.227 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCC2(CC2)C1 ZINC000473440786 1092878862 /nfs/dbraw/zinc/87/88/62/1092878862.db2.gz UWRICWXLCIODGM-CQSZACIVSA-N 1 1 357.523 4.092 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCC2(CC2)C1 ZINC000473440786 1092878870 /nfs/dbraw/zinc/87/88/70/1092878870.db2.gz UWRICWXLCIODGM-CQSZACIVSA-N 1 1 357.523 4.092 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000443067040 1092927207 /nfs/dbraw/zinc/92/72/07/1092927207.db2.gz KVPFHVYMRNCBGO-QGZVFWFLSA-N 1 1 365.477 4.115 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000521822150 1092940529 /nfs/dbraw/zinc/94/05/29/1092940529.db2.gz BDRCMLQHKTUOKN-SJCJKPOMSA-N 1 1 356.297 4.041 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000521822150 1092940533 /nfs/dbraw/zinc/94/05/33/1092940533.db2.gz BDRCMLQHKTUOKN-SJCJKPOMSA-N 1 1 356.297 4.041 20 30 FIEDMO N#Cc1cc(C(F)(F)F)ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432918553 1092952405 /nfs/dbraw/zinc/95/24/05/1092952405.db2.gz PROCDNPPAYUGQN-UHFFFAOYSA-N 1 1 374.410 4.494 20 30 FIEDMO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C#N)cc1F ZINC000512637009 1093055548 /nfs/dbraw/zinc/05/55/48/1093055548.db2.gz QNYODSIDIKNBGX-GFCCVEGCSA-N 1 1 360.816 4.363 20 30 FIEDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000614179591 1093073176 /nfs/dbraw/zinc/07/31/76/1093073176.db2.gz SQTFILISKUQQNL-GOSISDBHSA-N 1 1 356.853 4.242 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614191609 1093117900 /nfs/dbraw/zinc/11/79/00/1093117900.db2.gz VYOCWYIETTUWPL-XXBNENTESA-N 1 1 361.533 4.488 20 30 FIEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614191609 1093117902 /nfs/dbraw/zinc/11/79/02/1093117902.db2.gz VYOCWYIETTUWPL-XXBNENTESA-N 1 1 361.533 4.488 20 30 FIEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000433032802 1093137474 /nfs/dbraw/zinc/13/74/74/1093137474.db2.gz SELUPMINBSGVCP-GOSISDBHSA-N 1 1 350.397 4.400 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000433056335 1093166117 /nfs/dbraw/zinc/16/61/17/1093166117.db2.gz YRBTUICQUDBFIO-KRWDZBQOSA-N 1 1 353.491 4.055 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000433056335 1093166120 /nfs/dbraw/zinc/16/61/20/1093166120.db2.gz YRBTUICQUDBFIO-KRWDZBQOSA-N 1 1 353.491 4.055 20 30 FIEDMO N#Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000151634534 1093266042 /nfs/dbraw/zinc/26/60/42/1093266042.db2.gz DYIOYWQVUJAYKL-UNMCSNQZSA-N 1 1 374.488 4.077 20 30 FIEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000727430150 1093362687 /nfs/dbraw/zinc/36/26/87/1093362687.db2.gz OFOMCGHZHXWBSX-VGSWGCGISA-N 1 1 367.489 4.481 20 30 FIEDMO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl ZINC000512826024 1093403717 /nfs/dbraw/zinc/40/37/17/1093403717.db2.gz BHGKTHFULUMICL-UHFFFAOYSA-N 1 1 374.843 4.403 20 30 FIEDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)sc1C ZINC000411663897 1093409096 /nfs/dbraw/zinc/40/90/96/1093409096.db2.gz ZYZUOEXUQKVNHY-HNNXBMFYSA-N 1 1 361.511 4.239 20 30 FIEDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)sc1C ZINC000411663897 1093409102 /nfs/dbraw/zinc/40/91/02/1093409102.db2.gz ZYZUOEXUQKVNHY-HNNXBMFYSA-N 1 1 361.511 4.239 20 30 FIEDMO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000512908887 1093543179 /nfs/dbraw/zinc/54/31/79/1093543179.db2.gz NHJVNZIIJVLNJN-QFIPXVFZSA-N 1 1 372.472 4.112 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433301959 1093556747 /nfs/dbraw/zinc/55/67/47/1093556747.db2.gz HQHDKJOHRKVJEI-GOSISDBHSA-N 1 1 367.880 4.076 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433301959 1093556752 /nfs/dbraw/zinc/55/67/52/1093556752.db2.gz HQHDKJOHRKVJEI-GOSISDBHSA-N 1 1 367.880 4.076 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308477 1093573080 /nfs/dbraw/zinc/57/30/80/1093573080.db2.gz YEZWRTPWSWVCJT-KRWDZBQOSA-N 1 1 353.853 4.030 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](c4cccc(Cl)c4)C3)o2)c1 ZINC000433309510 1093575981 /nfs/dbraw/zinc/57/59/81/1093575981.db2.gz ALLJLSZYKDDLSP-KRWDZBQOSA-N 1 1 364.836 4.251 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)o2)c1 ZINC000433309510 1093575986 /nfs/dbraw/zinc/57/59/86/1093575986.db2.gz ALLJLSZYKDDLSP-KRWDZBQOSA-N 1 1 364.836 4.251 20 30 FIEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC001141814837 1093583948 /nfs/dbraw/zinc/58/39/48/1093583948.db2.gz QSNQZAUIJZDYDA-UHFFFAOYSA-N 1 1 359.267 4.004 20 30 FIEDMO C[NH+](C)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1Cl ZINC000474214305 1093587081 /nfs/dbraw/zinc/58/70/81/1093587081.db2.gz ROOONSHJWGUQNM-PXNSSMCTSA-N 1 1 369.896 4.146 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000052825602 1093663751 /nfs/dbraw/zinc/66/37/51/1093663751.db2.gz LJZKIDBIHJJBTM-UHFFFAOYSA-N 1 1 373.403 4.010 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000052825602 1093663754 /nfs/dbraw/zinc/66/37/54/1093663754.db2.gz LJZKIDBIHJJBTM-UHFFFAOYSA-N 1 1 373.403 4.010 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C#N)c3ccccc3n2)cc1 ZINC000433415181 1093677068 /nfs/dbraw/zinc/67/70/68/1093677068.db2.gz QULDLHNXEMSPID-OAHLLOKOSA-N 1 1 353.429 4.196 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000419353834 1093724887 /nfs/dbraw/zinc/72/48/87/1093724887.db2.gz QEYJQZOKKQYXTN-FQEVSTJZSA-N 1 1 365.477 4.295 20 30 FIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1coc3ccc(F)cc13)CCO2 ZINC001141852591 1093773120 /nfs/dbraw/zinc/77/31/20/1093773120.db2.gz JYZAIVBHELYHSG-DYESRHJHSA-N 1 1 359.441 4.146 20 30 FIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1coc3ccc(F)cc13)CCO2 ZINC001141852591 1093773126 /nfs/dbraw/zinc/77/31/26/1093773126.db2.gz JYZAIVBHELYHSG-DYESRHJHSA-N 1 1 359.441 4.146 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000398053729 1093806971 /nfs/dbraw/zinc/80/69/71/1093806971.db2.gz YQGYYZPPVFNNBZ-KKSFZXQISA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053729 1093806973 /nfs/dbraw/zinc/80/69/73/1093806973.db2.gz YQGYYZPPVFNNBZ-KKSFZXQISA-N 1 1 353.897 4.212 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000614397639 1093815269 /nfs/dbraw/zinc/81/52/69/1093815269.db2.gz LKJHARCRBVOTLJ-MOPGFXCFSA-N 1 1 361.272 4.264 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000614402926 1093821573 /nfs/dbraw/zinc/82/15/73/1093821573.db2.gz QWGADUHMKHKYLW-OAQYLSRUSA-N 1 1 362.477 4.043 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000614406849 1093828749 /nfs/dbraw/zinc/82/87/49/1093828749.db2.gz CBOQENQCFRSLKY-HXUWFJFHSA-N 1 1 363.509 4.412 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000614406849 1093828755 /nfs/dbraw/zinc/82/87/55/1093828755.db2.gz CBOQENQCFRSLKY-HXUWFJFHSA-N 1 1 363.509 4.412 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000614406849 1093828762 /nfs/dbraw/zinc/82/87/62/1093828762.db2.gz CBOQENQCFRSLKY-HXUWFJFHSA-N 1 1 363.509 4.412 20 30 FIEDMO COCCOCc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000576551801 1093949075 /nfs/dbraw/zinc/94/90/75/1093949075.db2.gz OMYNWFQFDQWXSF-DHIUTWEWSA-N 1 1 364.489 4.121 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000729268097 1093954728 /nfs/dbraw/zinc/95/47/28/1093954728.db2.gz LJSZXRZKCMETNX-HXUWFJFHSA-N 1 1 371.525 4.416 20 30 FIEDMO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000513191482 1093998461 /nfs/dbraw/zinc/99/84/61/1093998461.db2.gz OAZDLMYTMUPRDQ-FQEVSTJZSA-N 1 1 367.880 4.087 20 30 FIEDMO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000513226468 1094021897 /nfs/dbraw/zinc/02/18/97/1094021897.db2.gz QCXOHQIUKBRCNN-ZWKOTPCHSA-N 1 1 361.489 4.075 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237235 1094031316 /nfs/dbraw/zinc/03/13/16/1094031316.db2.gz WOKKFFQCMBNKRH-LIRRHRJNSA-N 1 1 353.853 4.233 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237233 1094031636 /nfs/dbraw/zinc/03/16/36/1094031636.db2.gz WOKKFFQCMBNKRH-IFXJQAMLSA-N 1 1 353.853 4.233 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000513430567 1094119498 /nfs/dbraw/zinc/11/94/98/1094119498.db2.gz VPBWAHXJQYCAMU-UHFFFAOYSA-N 1 1 352.503 4.002 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000280337325 1094330209 /nfs/dbraw/zinc/33/02/09/1094330209.db2.gz RRFOTEKEQMWCOS-AWEZNQCLSA-N 1 1 360.788 4.115 20 30 FIEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC001126562004 1094414490 /nfs/dbraw/zinc/41/44/90/1094414490.db2.gz LTEVOCQIMOSBQE-OAQYLSRUSA-N 1 1 354.538 4.494 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000501234182 1094573494 /nfs/dbraw/zinc/57/34/94/1094573494.db2.gz NSKFVXQVLRRXKD-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329097272 1094737070 /nfs/dbraw/zinc/73/70/70/1094737070.db2.gz LOSMMALXGQAIPG-GUGJDKNPSA-N 1 1 370.537 4.316 20 30 FIEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC12CCC2 ZINC000329161004 1094761188 /nfs/dbraw/zinc/76/11/88/1094761188.db2.gz YRNFGUWSVMGXFL-HNNXBMFYSA-N 1 1 355.482 4.254 20 30 FIEDMO COc1cccc(NC2CC[NH+](CC(=O)NC3CCCCCC3)CC2)c1 ZINC000329201873 1094778959 /nfs/dbraw/zinc/77/89/59/1094778959.db2.gz CAEMGEPPDYKMIY-UHFFFAOYSA-N 1 1 359.514 4.251 20 30 FIEDMO CC1(C)C[N@H+](C2(CNC(=O)CC[C@H]3CCCCO3)CCCCC2)CCO1 ZINC000329230187 1094790520 /nfs/dbraw/zinc/79/05/20/1094790520.db2.gz JVMUMZQBGCZRGI-GOSISDBHSA-N 1 1 366.546 4.106 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001141902884 1094801361 /nfs/dbraw/zinc/80/13/61/1094801361.db2.gz HTRJIDQZFZGLLG-HNNXBMFYSA-N 1 1 359.242 4.449 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CN(CCC#N)c1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000237207597 1105063248 /nfs/dbraw/zinc/06/32/48/1105063248.db2.gz PJIZFGWVGQUPNM-UHFFFAOYSA-N 1 1 362.502 4.450 20 30 FIEDMO C=CC[N@H+](CCCn1ccnc1C)Cc1cc(Br)ccc1F ZINC000536477113 1105162122 /nfs/dbraw/zinc/16/21/22/1105162122.db2.gz OJZBJIIQTUULOO-UHFFFAOYSA-N 1 1 366.278 4.171 20 30 FIEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000438649054 1105203215 /nfs/dbraw/zinc/20/32/15/1105203215.db2.gz RXQLVCVGKNPLKY-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000438649054 1105203220 /nfs/dbraw/zinc/20/32/20/1105203220.db2.gz RXQLVCVGKNPLKY-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO CC1(C#N)CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428075127 1105365035 /nfs/dbraw/zinc/36/50/35/1105365035.db2.gz JSASFSHWUGRYAV-UHFFFAOYSA-N 1 1 362.399 4.076 20 30 FIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000783579939 1106883411 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366.896 4.018 20 30 FIEDMO C=CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001126870584 1112238964 /nfs/dbraw/zinc/23/89/64/1112238964.db2.gz UKXBWTCIOVFEGA-GOTSBHOMSA-N 1 1 362.517 4.469 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000567392421 1112425173 /nfs/dbraw/zinc/42/51/73/1112425173.db2.gz QEZWSTVHTBGLPM-UHFFFAOYSA-N 1 1 357.454 4.028 20 30 FIEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000480563875 1112480182 /nfs/dbraw/zinc/48/01/82/1112480182.db2.gz OZBCSUJFFUFCDB-RBUKOAKNSA-N 1 1 362.464 4.351 20 30 FIEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000480563875 1112480185 /nfs/dbraw/zinc/48/01/85/1112480185.db2.gz OZBCSUJFFUFCDB-RBUKOAKNSA-N 1 1 362.464 4.351 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000554847499 1112527375 /nfs/dbraw/zinc/52/73/75/1112527375.db2.gz WBNSSWSGMPWSED-KRWDZBQOSA-N 1 1 352.400 4.382 20 30 FIEDMO 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C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488625478 1113962956 /nfs/dbraw/zinc/96/29/56/1113962956.db2.gz KCFRPOCVRDSNGA-RBUKOAKNSA-N 1 1 365.468 4.096 20 30 FIEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488625478 1113962959 /nfs/dbraw/zinc/96/29/59/1113962959.db2.gz KCFRPOCVRDSNGA-RBUKOAKNSA-N 1 1 365.468 4.096 20 30 FIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000488747116 1113988858 /nfs/dbraw/zinc/98/88/58/1113988858.db2.gz HWFNDHNSTKHWDO-FQEVSTJZSA-N 1 1 374.444 4.126 20 30 FIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000488747116 1113988861 /nfs/dbraw/zinc/98/88/61/1113988861.db2.gz HWFNDHNSTKHWDO-FQEVSTJZSA-N 1 1 374.444 4.126 20 30 FIEDMO CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488766654 1113991477 /nfs/dbraw/zinc/99/14/77/1113991477.db2.gz VSYUQNRGBNZRTJ-VGSWGCGISA-N 1 1 351.494 4.105 20 30 FIEDMO 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N#Cc1cccc(C(=O)CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574877643 1115512409 /nfs/dbraw/zinc/51/24/09/1115512409.db2.gz RFPSPRMDLWSFET-HXUWFJFHSA-N 1 1 350.487 4.139 20 30 FIEDMO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595335671 1115523159 /nfs/dbraw/zinc/52/31/59/1115523159.db2.gz UUHPZCHENCRJPK-HMXCVIKNSA-N 1 1 367.537 4.043 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000593000392 1115534954 /nfs/dbraw/zinc/53/49/54/1115534954.db2.gz FHDNXKQLAAZUJM-TZIWHRDSSA-N 1 1 365.433 4.066 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000595549778 1115541897 /nfs/dbraw/zinc/54/18/97/1115541897.db2.gz MRXRKRONQDRKRX-IFXJQAMLSA-N 1 1 351.475 4.054 20 30 FIEDMO N#CCCN(C(=O)C[NH+]1CCC(c2ccco2)CC1)c1cccc(Cl)c1 ZINC000595617761 1115550902 /nfs/dbraw/zinc/55/09/02/1115550902.db2.gz KGNQHUOLRXZCTH-UHFFFAOYSA-N 1 1 371.868 4.059 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595675461 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/nfs/dbraw/zinc/60/52/37/1123605237.db2.gz CHPCQBOQEPECQA-SYVPYPDPSA-N 1 1 352.478 4.122 20 30 FIEDMO FC(F)(F)c1ccc(C#CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134936982 1123696478 /nfs/dbraw/zinc/69/64/78/1123696478.db2.gz VNBLBNBXQCFRTQ-XLIONFOSSA-N 1 1 362.439 4.006 20 30 FIEDMO CC(C)C[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000609431075 1123712640 /nfs/dbraw/zinc/71/26/40/1123712640.db2.gz GTOBUKBADREIRK-UHFFFAOYSA-N 1 1 355.526 4.103 20 30 FIEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000135097314 1123716525 /nfs/dbraw/zinc/71/65/25/1123716525.db2.gz XBVSWBFMKOMXKF-UHFFFAOYSA-N 1 1 350.462 4.063 20 30 FIEDMO C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135264249 1123731076 /nfs/dbraw/zinc/73/10/76/1123731076.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 1 1 361.533 4.442 20 30 FIEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135264249 1123731080 /nfs/dbraw/zinc/73/10/80/1123731080.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 1 1 361.533 4.442 20 30 FIEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135264249 1123731084 /nfs/dbraw/zinc/73/10/84/1123731084.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000135264249 1123731089 /nfs/dbraw/zinc/73/10/89/1123731089.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000135264249 1123731093 /nfs/dbraw/zinc/73/10/93/1123731093.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 1 1 361.533 4.442 20 30 FIEDMO CC(C)(C)[N@H+]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000609560712 1123750874 /nfs/dbraw/zinc/75/08/74/1123750874.db2.gz YOYNWTXLOGARFM-UHFFFAOYSA-N 1 1 360.864 4.210 20 30 FIEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000135870823 1123809326 /nfs/dbraw/zinc/80/93/26/1123809326.db2.gz JDXPWRXPCONWDQ-GHTZIAJQSA-N 1 1 356.558 4.252 20 30 FIEDMO CCCC[C@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609761470 1123834275 /nfs/dbraw/zinc/83/42/75/1123834275.db2.gz MCIQNQYKUHMXHM-IBGZPJMESA-N 1 1 355.526 4.199 20 30 FIEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000609801431 1123838954 /nfs/dbraw/zinc/83/89/54/1123838954.db2.gz SSNIIAXGHYHJAN-JOCHJYFZSA-N 1 1 361.489 4.100 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000610133142 1123950050 /nfs/dbraw/zinc/95/00/50/1123950050.db2.gz ULVOYKDESWBNSD-IBGZPJMESA-N 1 1 366.461 4.181 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc(OC)c1O ZINC000137083843 1123960949 /nfs/dbraw/zinc/96/09/49/1123960949.db2.gz ZVSCOVUIAIHPJD-SFHVURJKSA-N 1 1 357.450 4.206 20 30 FIEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000615456386 1124014624 /nfs/dbraw/zinc/01/46/24/1124014624.db2.gz HJCYSQAIHDODFS-UHFFFAOYSA-N 1 1 372.896 4.043 20 30 FIEDMO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1F ZINC000179627070 1124014835 /nfs/dbraw/zinc/01/48/35/1124014835.db2.gz PYCWVZZBBWZBAC-MRXNPFEDSA-N 1 1 363.795 4.169 20 30 FIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179800514 1124081449 /nfs/dbraw/zinc/08/14/49/1124081449.db2.gz MRWYTPCAAOZZRQ-GTNSWQLSSA-N 1 1 361.392 4.114 20 30 FIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1F ZINC000553878292 1124138591 /nfs/dbraw/zinc/13/85/91/1124138591.db2.gz KFDHMKLINQZJOO-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000763473018 1124208595 /nfs/dbraw/zinc/20/85/95/1124208595.db2.gz LRXSDBYYXXPQIS-INIZCTEOSA-N 1 1 368.868 4.197 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301293163 1124211801 /nfs/dbraw/zinc/21/18/01/1124211801.db2.gz OHWLGYYKLBOQRG-LSDHHAIUSA-N 1 1 366.431 4.063 20 30 FIEDMO Cc1ccc(N2CCC(Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)[nH+]c1 ZINC000301393107 1124226718 /nfs/dbraw/zinc/22/67/18/1124226718.db2.gz IWMBBGZKTFZQPQ-UHFFFAOYSA-N 1 1 360.383 4.361 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2snc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000301415970 1124228541 /nfs/dbraw/zinc/22/85/41/1124228541.db2.gz LZDMPCYIORGUIW-ZWNOBZJWSA-N 1 1 352.916 4.225 20 30 FIEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000301424681 1124229500 /nfs/dbraw/zinc/22/95/00/1124229500.db2.gz KPSCDMDCDVEIIA-MSOLQXFVSA-N 1 1 352.457 4.006 20 30 FIEDMO N#Cc1cnc2ccccc2c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301441056 1124230849 /nfs/dbraw/zinc/23/08/49/1124230849.db2.gz XYFZANBEIFJRGQ-LJQANCHMSA-N 1 1 356.473 4.083 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3snc(Cl)c3C#N)c2)C[C@H](C)O1 ZINC000301948155 1124271553 /nfs/dbraw/zinc/27/15/53/1124271553.db2.gz DQQIGLLMBZIXNH-TXEJJXNPSA-N 1 1 362.886 4.021 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3snc(Cl)c3C#N)c2)C[C@H](C)O1 ZINC000301948155 1124271561 /nfs/dbraw/zinc/27/15/61/1124271561.db2.gz DQQIGLLMBZIXNH-TXEJJXNPSA-N 1 1 362.886 4.021 20 30 FIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1snc(Cl)c1C#N ZINC000301952600 1124272371 /nfs/dbraw/zinc/27/23/71/1124272371.db2.gz IQEJMZYWRFJCIC-HNNXBMFYSA-N 1 1 360.914 4.017 20 30 FIEDMO COc1cccc([C@@H]2[C@@H](Nc3ccc(Cl)c(C#N)n3)CC[N@H+]2C2CC2)c1 ZINC000302018310 1124277425 /nfs/dbraw/zinc/27/74/25/1124277425.db2.gz CVAYFTKTVJVCGV-FXAWDEMLSA-N 1 1 368.868 4.005 20 30 FIEDMO COc1cccc([C@@H]2[C@H](Nc3snc(Cl)c3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302035378 1124278951 /nfs/dbraw/zinc/27/89/51/1124278951.db2.gz JTYQUMDMIWLOFZ-HZPDHXFCSA-N 1 1 374.897 4.067 20 30 FIEDMO COc1cccc([C@@H]2[C@H](Nc3snc(Cl)c3C#N)CC[N@H+]2C2CC2)c1 ZINC000302035378 1124278953 /nfs/dbraw/zinc/27/89/53/1124278953.db2.gz JTYQUMDMIWLOFZ-HZPDHXFCSA-N 1 1 374.897 4.067 20 30 FIEDMO Cc1ccc(CNc2ccc(Br)cc2C#N)c(N2CCCC2)[nH+]1 ZINC000302109388 1124283761 /nfs/dbraw/zinc/28/37/61/1124283761.db2.gz YYRNDJOJBJVSRF-UHFFFAOYSA-N 1 1 371.282 4.237 20 30 FIEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000302181077 1124293357 /nfs/dbraw/zinc/29/33/57/1124293357.db2.gz QRVXWNLUXLYEAQ-AWEZNQCLSA-N 1 1 370.840 4.003 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000302191311 1124294194 /nfs/dbraw/zinc/29/41/94/1124294194.db2.gz ZCMKTSGIGJSZAI-MRXNPFEDSA-N 1 1 364.449 4.453 20 30 FIEDMO N#Cc1cccc(C#N)c1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000302878318 1124363281 /nfs/dbraw/zinc/36/32/81/1124363281.db2.gz GZUGSDALUILBLM-GOSISDBHSA-N 1 1 370.378 4.135 20 30 FIEDMO C[N@H+]1CC[C@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302890148 1124364181 /nfs/dbraw/zinc/36/41/81/1124364181.db2.gz PHFKZRPYEBIEBP-UZLBHIALSA-N 1 1 368.843 4.327 20 30 FIEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000617042198 1124439774 /nfs/dbraw/zinc/43/97/74/1124439774.db2.gz OPTITEBSMQPUAA-CJNGLKHVSA-N 1 1 360.408 4.070 20 30 FIEDMO CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000091541816 1124458974 /nfs/dbraw/zinc/45/89/74/1124458974.db2.gz SPYWAWCLVSFGIF-SFHVURJKSA-N 1 1 370.518 4.114 20 30 FIEDMO CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000091541816 1124458982 /nfs/dbraw/zinc/45/89/82/1124458982.db2.gz SPYWAWCLVSFGIF-SFHVURJKSA-N 1 1 370.518 4.114 20 30 FIEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246618761 1124541865 /nfs/dbraw/zinc/54/18/65/1124541865.db2.gz GCIFSMCYDUSQRE-HUUCEWRRSA-N 1 1 365.568 4.093 20 30 FIEDMO N#Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110596619 1124761564 /nfs/dbraw/zinc/76/15/64/1124761564.db2.gz FGMGIFZNCGDMRC-YQQQUEKLSA-N 1 1 362.433 4.074 20 30 FIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075679953 1124915261 /nfs/dbraw/zinc/91/52/61/1124915261.db2.gz NOVBAXZECWVPRY-UHFFFAOYSA-N 1 1 368.440 4.436 20 30 FIEDMO CC(C)[N@H+](Cc1ccccc1C#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000517897812 1124932012 /nfs/dbraw/zinc/93/20/12/1124932012.db2.gz BZWMRKWZEDSIOZ-JOCHJYFZSA-N 1 1 374.484 4.362 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F ZINC000007910983 1124941566 /nfs/dbraw/zinc/94/15/66/1124941566.db2.gz QXQMFUMBKAXMSD-UHFFFAOYSA-N 1 1 371.481 4.098 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](CC)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528032 1125046003 /nfs/dbraw/zinc/04/60/03/1125046003.db2.gz BOFHFZHXFAXRLD-SFTDATJTSA-N 1 1 352.453 4.024 20 30 FIEDMO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181624355 1125076440 /nfs/dbraw/zinc/07/64/40/1125076440.db2.gz BFJPKMOVEUMWDW-INIZCTEOSA-N 1 1 363.433 4.213 20 30 FIEDMO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000670216000 1125095063 /nfs/dbraw/zinc/09/50/63/1125095063.db2.gz RVMXXSVEQZVHQI-HXUWFJFHSA-N 1 1 373.589 4.145 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000113171106 1125104625 /nfs/dbraw/zinc/10/46/25/1125104625.db2.gz GBRFYAGGHFUYKP-AWEZNQCLSA-N 1 1 371.868 4.242 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000113171106 1125104632 /nfs/dbraw/zinc/10/46/32/1125104632.db2.gz GBRFYAGGHFUYKP-AWEZNQCLSA-N 1 1 371.868 4.242 20 30 FIEDMO Cc1cnc([C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)s1 ZINC000181820226 1125143868 /nfs/dbraw/zinc/14/38/68/1125143868.db2.gz AUKPZHJTTGJDAE-HXUWFJFHSA-N 1 1 366.534 4.029 20 30 FIEDMO CCC(CC)c1cc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000181821179 1125143878 /nfs/dbraw/zinc/14/38/78/1125143878.db2.gz ZRSGGHPPYKDACL-UHFFFAOYSA-N 1 1 366.509 4.204 20 30 FIEDMO N#Cc1csc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000093005420 1125257974 /nfs/dbraw/zinc/25/79/74/1125257974.db2.gz WSPXFMYEQZKHAN-UHFFFAOYSA-N 1 1 351.450 4.399 20 30 FIEDMO C[C@@H]1[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000312026801 1125258868 /nfs/dbraw/zinc/25/88/68/1125258868.db2.gz XSJWJODRLYIWIZ-CJNGLKHVSA-N 1 1 360.383 4.047 20 30 FIEDMO Cc1c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000618804783 1125284944 /nfs/dbraw/zinc/28/49/44/1125284944.db2.gz MLAXWAFPIABANK-BTYIYWSLSA-N 1 1 357.461 4.094 20 30 FIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000602442018 567978442 /nfs/dbraw/zinc/97/84/42/567978442.db2.gz ISYZAGMJNSKDQA-KRWDZBQOSA-N 1 1 365.477 4.114 20 30 FIEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)n2)cc1 ZINC000602643001 568003456 /nfs/dbraw/zinc/00/34/56/568003456.db2.gz KHDNOPRVRZWYGO-HZPDHXFCSA-N 1 1 368.481 4.049 20 30 FIEDMO C[C@H](CCC#N)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000602628593 568007320 /nfs/dbraw/zinc/00/73/20/568007320.db2.gz HITRMKIRTCTEAU-OAHLLOKOSA-N 1 1 365.315 4.370 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H]2COc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000568591675 568077475 /nfs/dbraw/zinc/07/74/75/568077475.db2.gz YJLJTSYPZUDPIH-NRFANRHFSA-N 1 1 372.472 4.002 20 30 FIEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000603840572 568154038 /nfs/dbraw/zinc/15/40/38/568154038.db2.gz MFTDMRAISXBRKY-GGAORHGYSA-N 1 1 364.489 4.110 20 30 FIEDMO COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000481928395 568189510 /nfs/dbraw/zinc/18/95/10/568189510.db2.gz RPADALZRAQYHRH-UHFFFAOYSA-N 1 1 360.413 4.237 20 30 FIEDMO N#Cc1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000481988807 568215825 /nfs/dbraw/zinc/21/58/25/568215825.db2.gz GXGGAFAUHLGAKZ-AZUAARDMSA-N 1 1 366.896 4.098 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303637114 568268139 /nfs/dbraw/zinc/26/81/39/568268139.db2.gz ZYAHAVOACBEIMP-UGKGYDQZSA-N 1 1 351.494 4.144 20 30 FIEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633365 1125470906 /nfs/dbraw/zinc/47/09/06/1125470906.db2.gz ULMUIUHEQKCTBR-SJORKVTESA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633365 1125470913 /nfs/dbraw/zinc/47/09/13/1125470913.db2.gz ULMUIUHEQKCTBR-SJORKVTESA-N 1 1 352.400 4.019 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619755368 1125680785 /nfs/dbraw/zinc/68/07/85/1125680785.db2.gz FZNPDCBFSRJXJP-IERDGZPVSA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 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FIEDMO C=CCCn1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)nn1 ZINC000657339044 1084637526 /nfs/dbraw/zinc/63/75/26/1084637526.db2.gz KCWLUQHTAMWLOD-UHFFFAOYSA-N 1 1 374.488 4.136 20 30 FIEDMO COc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)ccc1C#N ZINC000582330498 1084686286 /nfs/dbraw/zinc/68/62/86/1084686286.db2.gz UZIVQJXWRFCAOM-UHFFFAOYSA-N 1 1 351.233 4.172 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000539924198 1084698602 /nfs/dbraw/zinc/69/86/02/1084698602.db2.gz SXQBQIGYDLNHFR-UHFFFAOYSA-N 1 1 354.457 4.342 20 30 FIEDMO N#CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)cc1 ZINC000178165111 1084781694 /nfs/dbraw/zinc/78/16/94/1084781694.db2.gz UIIGAOUXEJLBDC-UHFFFAOYSA-N 1 1 365.658 4.295 20 30 FIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167558739 1084808538 /nfs/dbraw/zinc/80/85/38/1084808538.db2.gz RNWDTTSOHGDMLO-SFHVURJKSA-N 1 1 351.535 4.285 20 30 FIEDMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892234709 1084808644 /nfs/dbraw/zinc/80/86/44/1084808644.db2.gz OYOZARYBJOPSNS-UHFFFAOYSA-N 1 1 373.547 4.198 20 30 FIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180250167 1084952140 /nfs/dbraw/zinc/95/21/40/1084952140.db2.gz UTQNLBGEXCZYRR-RBUKOAKNSA-N 1 1 354.523 4.065 20 30 FIEDMO CN(C)c1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc[nH+]1 ZINC000479019020 1085067040 /nfs/dbraw/zinc/06/70/40/1085067040.db2.gz PXEWCKLNRBUYHV-UHFFFAOYSA-N 1 1 358.401 4.064 20 30 FIEDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC001167603022 1085436724 /nfs/dbraw/zinc/43/67/24/1085436724.db2.gz SUSSEWKDCJQNSF-LRXVAGHRSA-N 1 1 361.489 4.401 20 30 FIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075750733 1085529988 /nfs/dbraw/zinc/52/99/88/1085529988.db2.gz FEEFTJBHEVBIPN-APWZRJJASA-N 1 1 358.445 4.295 20 30 FIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075861612 1085538113 /nfs/dbraw/zinc/53/81/13/1085538113.db2.gz HYPNZXZYXFDIPQ-UHFFFAOYSA-N 1 1 360.461 4.326 20 30 FIEDMO C=CCn1c(C2CC2)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000582753508 1085664845 /nfs/dbraw/zinc/66/48/45/1085664845.db2.gz HBMLJJIVNGPBJP-YLJYHZDGSA-N 1 1 365.525 4.003 20 30 FIEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526559 1085668923 /nfs/dbraw/zinc/66/89/23/1085668923.db2.gz IYUUOMIAKNIWNN-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526559 1085668928 /nfs/dbraw/zinc/66/89/28/1085668928.db2.gz IYUUOMIAKNIWNN-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000582861437 1085843000 /nfs/dbraw/zinc/84/30/00/1085843000.db2.gz BGQXMPKKUNHLNB-QZTJIDSGSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000582861437 1085843006 /nfs/dbraw/zinc/84/30/06/1085843006.db2.gz BGQXMPKKUNHLNB-QZTJIDSGSA-N 1 1 374.271 4.040 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000092786110 1085852384 /nfs/dbraw/zinc/85/23/84/1085852384.db2.gz XGEMSRDAQGCZDX-MRXNPFEDSA-N 1 1 356.445 4.385 20 30 FIEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000092786239 1085854927 /nfs/dbraw/zinc/85/49/27/1085854927.db2.gz PBPBHJBGTGQBIP-OAHLLOKOSA-N 1 1 368.437 4.188 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000662086320 1086109904 /nfs/dbraw/zinc/10/99/04/1086109904.db2.gz QYWAKJOKMQKPKQ-HDICACEKSA-N 1 1 353.491 4.240 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(Br)cc1Cl ZINC000662085721 1086110916 /nfs/dbraw/zinc/11/09/16/1086110916.db2.gz JCABZMPXDZSCCY-BETUJISGSA-N 1 1 369.690 4.224 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Br)cc1Cl ZINC000662085721 1086110928 /nfs/dbraw/zinc/11/09/28/1086110928.db2.gz JCABZMPXDZSCCY-BETUJISGSA-N 1 1 369.690 4.224 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 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UFXYTWKPTBUHGY-UHFFFAOYSA-N 1 1 352.469 4.406 20 30 FIEDMO C=CCN(CC1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511236747 1086560220 /nfs/dbraw/zinc/56/02/20/1086560220.db2.gz XFUDWQUEKZBOTG-UYAOXDASSA-N 1 1 361.574 4.417 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000583384091 1086632608 /nfs/dbraw/zinc/63/26/08/1086632608.db2.gz FZWFGAFJKSIHNJ-UHFFFAOYSA-N 1 1 371.824 4.163 20 30 FIEDMO COc1ccc(C[N@H+](Cc2nc(C#N)cs2)C2CCCCC2)cc1OC ZINC000583413326 1086663455 /nfs/dbraw/zinc/66/34/55/1086663455.db2.gz XFFIWGLYPOZRHY-UHFFFAOYSA-N 1 1 371.506 4.367 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2nc(C#N)cs2)C2CCCCC2)cc1OC ZINC000583413326 1086663458 /nfs/dbraw/zinc/66/34/58/1086663458.db2.gz XFFIWGLYPOZRHY-UHFFFAOYSA-N 1 1 371.506 4.367 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000583456005 1086699963 /nfs/dbraw/zinc/69/99/63/1086699963.db2.gz KAAYZWKPVXTMFP-JTQLQIEISA-N 1 1 360.177 4.001 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000512057812 1086718932 /nfs/dbraw/zinc/71/89/32/1086718932.db2.gz LZDAXSHWGHBOAH-UHFFFAOYSA-N 1 1 358.388 4.356 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246364919 1086916540 /nfs/dbraw/zinc/91/65/40/1086916540.db2.gz NOQLQHBEFBPTHM-BVSLBCMMSA-N 1 1 367.537 4.352 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000246757038 1086952955 /nfs/dbraw/zinc/95/29/55/1086952955.db2.gz QNYKDLIKQPZGBL-GVDBMIGSSA-N 1 1 359.539 4.245 20 30 FIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000246787411 1086957256 /nfs/dbraw/zinc/95/72/56/1086957256.db2.gz QKBPBFZQOKTUEW-UYAOXDASSA-N 1 1 355.503 4.238 20 30 FIEDMO CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329576589 1087053803 /nfs/dbraw/zinc/05/38/03/1087053803.db2.gz SHSYCHIYHBAYSH-ZBFHGGJFSA-N 1 1 351.878 4.080 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187785523 1087305639 /nfs/dbraw/zinc/30/56/39/1087305639.db2.gz PWHPBDXWPUVEHN-SZNDQCEHSA-N 1 1 374.431 4.058 20 30 FIEDMO C[C@H]1SCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000118421358 1087379821 /nfs/dbraw/zinc/37/98/21/1087379821.db2.gz OXDUVDZBJNNCHM-IIBYNOLFSA-N 1 1 365.502 4.065 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000165910591 1087510327 /nfs/dbraw/zinc/51/03/27/1087510327.db2.gz WRKAAKGUUZHADR-SFHVURJKSA-N 1 1 367.880 4.247 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000685653891 1087660074 /nfs/dbraw/zinc/66/00/74/1087660074.db2.gz GESUUMRRYPKFHR-UHFFFAOYSA-N 1 1 364.493 4.431 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424121951 1087778289 /nfs/dbraw/zinc/77/82/89/1087778289.db2.gz IRLYEIVFBJSLFV-YRISNDGFSA-N 1 1 363.461 4.047 20 30 FIEDMO N#CCCn1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c(-c2ccccc2)n1 ZINC000424204275 1087844331 /nfs/dbraw/zinc/84/43/31/1087844331.db2.gz VGYVESCRNJLVKV-RBBKRZOGSA-N 1 1 360.436 4.191 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)nn1 ZINC000424297036 1087903444 /nfs/dbraw/zinc/90/34/44/1087903444.db2.gz PPZUVHXHUWBILN-LBPRGKRZSA-N 1 1 373.913 4.400 20 30 FIEDMO COc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001143473045 1087956671 /nfs/dbraw/zinc/95/66/71/1087956671.db2.gz KUSBQDVLBXTJJM-ZDUSSCGKSA-N 1 1 359.285 4.438 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001143473045 1087956675 /nfs/dbraw/zinc/95/66/75/1087956675.db2.gz KUSBQDVLBXTJJM-ZDUSSCGKSA-N 1 1 359.285 4.438 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000505001437 1088030254 /nfs/dbraw/zinc/03/02/54/1088030254.db2.gz TTXCPBAXGQZTAA-WIYYLYMNSA-N 1 1 353.510 4.286 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000505057514 1088085805 /nfs/dbraw/zinc/08/58/05/1088085805.db2.gz JOYYCFVSPDZXSV-UHFFFAOYSA-N 1 1 363.505 4.197 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000180970659 1088200328 /nfs/dbraw/zinc/20/03/28/1088200328.db2.gz XNSWEYINYXFXSW-LBPRGKRZSA-N 1 1 352.331 4.489 20 30 FIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000181227359 1088268788 /nfs/dbraw/zinc/26/87/88/1088268788.db2.gz TUPARDDQEPZPBD-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO COc1cc2[nH+]c(N[C@@H](C)c3cccc(C#N)c3)ccc2c(OC)c1OC ZINC001167707162 1088325220 /nfs/dbraw/zinc/32/52/20/1088325220.db2.gz HNVONSHWVYVKCO-ZDUSSCGKSA-N 1 1 363.417 4.305 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000189202055 1088456791 /nfs/dbraw/zinc/45/67/91/1088456791.db2.gz MSFQLKDTAFMYQP-PBHICJAKSA-N 1 1 368.868 4.018 20 30 FIEDMO Cc1ccc2cc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000189602296 1088523355 /nfs/dbraw/zinc/52/33/55/1088523355.db2.gz PNMZMSAZCUSKAT-UHFFFAOYSA-N 1 1 370.500 4.123 20 30 FIEDMO Cc1ccc2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000189602296 1088523366 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20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000425229750 1089098175 /nfs/dbraw/zinc/09/81/75/1089098175.db2.gz LNQDUBUFTKAYTG-KSSFIOAISA-N 1 1 356.451 4.023 20 30 FIEDMO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1[nH+]ccn1-c1ccccc1 ZINC000565705209 1089225961 /nfs/dbraw/zinc/22/59/61/1089225961.db2.gz PSAWOOQEFZJTSA-UHFFFAOYSA-N 1 1 374.831 4.069 20 30 FIEDMO C=C(C)CN1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892880816 1089229008 /nfs/dbraw/zinc/22/90/08/1089229008.db2.gz KMBRVBAUPXANGG-UHFFFAOYSA-N 1 1 365.543 4.225 20 30 FIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(F)c1 ZINC000435134139 1089317289 /nfs/dbraw/zinc/31/72/89/1089317289.db2.gz VOWUMOHDHHUQMC-UHFFFAOYSA-N 1 1 363.440 4.020 20 30 FIEDMO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccc(OC)cc1 ZINC000659850947 1089591329 /nfs/dbraw/zinc/59/13/29/1089591329.db2.gz WYMJEUXBJRNVCS-HXUWFJFHSA-N 1 1 368.502 4.186 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000435763332 1089924173 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FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550409738 1104787824 /nfs/dbraw/zinc/78/78/24/1104787824.db2.gz XJEWZFRIGATMOU-WBVHZDCISA-N 1 1 357.523 4.141 20 30 FIEDMO Cc1ccc(C)c([C@@H]2C[N@H+](CCOc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000441476077 1104845768 /nfs/dbraw/zinc/84/57/68/1104845768.db2.gz OYSLAKOKZSHVEC-AVRDEDQJSA-N 1 1 350.462 4.016 20 30 FIEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](CCOc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000441476077 1104845773 /nfs/dbraw/zinc/84/57/73/1104845773.db2.gz OYSLAKOKZSHVEC-AVRDEDQJSA-N 1 1 350.462 4.016 20 30 FIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441661057 1105074317 /nfs/dbraw/zinc/07/43/17/1105074317.db2.gz JMTSFYRKQBACAV-QGZVFWFLSA-N 1 1 359.539 4.338 20 30 FIEDMO COc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507803754 1105134541 /nfs/dbraw/zinc/13/45/41/1105134541.db2.gz KGXLVVHWEYAGFC-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000105022165 1106917222 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FIEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000025363648 1107787245 /nfs/dbraw/zinc/78/72/45/1107787245.db2.gz PBDZTGFACQTQOB-QHCPKHFHSA-N 1 1 356.473 4.311 20 30 FIEDMO C[C@@H]1C[C@H](N(C)c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000609964812 1107805933 /nfs/dbraw/zinc/80/59/33/1107805933.db2.gz QIWOLNDHVFSHGM-CRAIPNDOSA-N 1 1 354.885 4.096 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000444593844 1108004327 /nfs/dbraw/zinc/00/43/27/1108004327.db2.gz ILFNQWHGCWOSHD-UHFFFAOYSA-N 1 1 361.917 4.208 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000444663944 1108067578 /nfs/dbraw/zinc/06/75/78/1108067578.db2.gz ZKRHHAPRGDMFKZ-QGZVFWFLSA-N 1 1 374.504 4.379 20 30 FIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)c1cccc(Br)c1 ZINC000444675504 1108078097 /nfs/dbraw/zinc/07/80/97/1108078097.db2.gz RNFUPUNMXVCYCD-MRXNPFEDSA-N 1 1 353.304 4.134 20 30 FIEDMO CC(C)[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccccc1 ZINC000444811160 1108184163 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369.534 4.111 20 30 FIEDMO COc1ccc2nc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)sc2c1 ZINC000475698535 1108816004 /nfs/dbraw/zinc/81/60/04/1108816004.db2.gz WDFUUNPGBKMGEO-UHFFFAOYSA-N 1 1 361.470 4.466 20 30 FIEDMO COc1ccc2nc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)sc2c1 ZINC000475698535 1108816011 /nfs/dbraw/zinc/81/60/11/1108816011.db2.gz WDFUUNPGBKMGEO-UHFFFAOYSA-N 1 1 361.470 4.466 20 30 FIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000440825424 1108937302 /nfs/dbraw/zinc/93/73/02/1108937302.db2.gz RDEQCGLYNXHZIX-LBPRGKRZSA-N 1 1 355.385 4.283 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000524365472 1108976363 /nfs/dbraw/zinc/97/63/63/1108976363.db2.gz IQXOPNDXNWGIOU-PZJWPPBQSA-N 1 1 367.489 4.001 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939829 1109090666 /nfs/dbraw/zinc/09/06/66/1109090666.db2.gz WGTFTZXXJPKZMC-OXJNMPFZSA-N 1 1 373.456 4.260 20 30 FIEDMO 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1 361.489 4.314 20 30 FIEDMO C=CCN1CCC([NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527858240 1109840954 /nfs/dbraw/zinc/84/09/54/1109840954.db2.gz IPRWSZCHYGPLQG-NSHDSACASA-N 1 1 359.258 4.028 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528407416 1109984475 /nfs/dbraw/zinc/98/44/75/1109984475.db2.gz PSZRATZJMYBUTR-XYPHTWIQSA-N 1 1 352.400 4.143 20 30 FIEDMO CCC[C@H](CC(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000449157965 1109987637 /nfs/dbraw/zinc/98/76/37/1109987637.db2.gz RPXRKOGSRBXWCC-OAQYLSRUSA-N 1 1 355.526 4.055 20 30 FIEDMO CCC[C@H](CC(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000449157965 1109987639 /nfs/dbraw/zinc/98/76/39/1109987639.db2.gz RPXRKOGSRBXWCC-OAQYLSRUSA-N 1 1 355.526 4.055 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC000449368377 1110044288 /nfs/dbraw/zinc/04/42/88/1110044288.db2.gz HXJZPUOEURUZMI-UHFFFAOYSA-N 1 1 350.315 4.375 20 30 FIEDMO C[C@@]12C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449453525 1110075808 /nfs/dbraw/zinc/07/58/08/1110075808.db2.gz WXGVIPNFTYVNFD-ANZJIFDASA-N 1 1 358.489 4.108 20 30 FIEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000528743449 1110098972 /nfs/dbraw/zinc/09/89/72/1110098972.db2.gz SOMGFGWVWGNGLA-KRWDZBQOSA-N 1 1 371.481 4.356 20 30 FIEDMO Cc1oc(-c2ccccc2)nc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528784476 1110112251 /nfs/dbraw/zinc/11/22/51/1110112251.db2.gz UGCXGVJQMHESSQ-UHFFFAOYSA-N 1 1 373.456 4.317 20 30 FIEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000449621220 1110128092 /nfs/dbraw/zinc/12/80/92/1110128092.db2.gz ZCWYGOHOEHHVBM-OAQYLSRUSA-N 1 1 364.489 4.120 20 30 FIEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000528901718 1110150079 /nfs/dbraw/zinc/15/00/79/1110150079.db2.gz SJFNOWTYGVCYPV-IBGZPJMESA-N 1 1 354.498 4.016 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000538724692 1111274771 /nfs/dbraw/zinc/27/47/71/1111274771.db2.gz WRYPUEPVXIIXMD-GOTSBHOMSA-N 1 1 356.473 4.453 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000538724692 1111274775 /nfs/dbraw/zinc/27/47/75/1111274775.db2.gz WRYPUEPVXIIXMD-GOTSBHOMSA-N 1 1 356.473 4.453 20 30 FIEDMO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(Cl)cc1C#N ZINC000461950922 1111437329 /nfs/dbraw/zinc/43/73/29/1111437329.db2.gz ZAUSYWZGSDAGRV-SUMWQHHRSA-N 1 1 360.914 4.472 20 30 FIEDMO C=CCC[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000539121533 1111441706 /nfs/dbraw/zinc/44/17/06/1111441706.db2.gz VPLPMACKTIKSOW-HNNXBMFYSA-N 1 1 361.287 4.069 20 30 FIEDMO CCNc1ccc(C#N)cc1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000552104429 1111587074 /nfs/dbraw/zinc/58/70/74/1111587074.db2.gz FTWYQCLWCXVNDA-UHFFFAOYSA-N 1 1 364.493 4.473 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1OC ZINC000478034146 1111647328 /nfs/dbraw/zinc/64/73/28/1111647328.db2.gz PIBUDUQLMYCBMZ-UHFFFAOYSA-N 1 1 374.868 4.227 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC000478034591 1111648069 /nfs/dbraw/zinc/64/80/69/1111648069.db2.gz ANOPROGXSGEWTD-UHFFFAOYSA-N 1 1 353.853 4.209 20 30 FIEDMO Cc1cc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145408 1111917750 /nfs/dbraw/zinc/91/77/50/1111917750.db2.gz VVEDPXMJIDBQRV-AUUYWEPGSA-N 1 1 358.848 4.159 20 30 FIEDMO C=CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553173413 1111920846 /nfs/dbraw/zinc/92/08/46/1111920846.db2.gz KRNUDAINORSCJW-UKILVPOCSA-N 1 1 374.528 4.471 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520348 1111998362 /nfs/dbraw/zinc/99/83/62/1111998362.db2.gz XGGHSVZPVHWWNY-MOPGFXCFSA-N 1 1 362.502 4.420 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520348 1111998367 /nfs/dbraw/zinc/99/83/67/1111998367.db2.gz XGGHSVZPVHWWNY-MOPGFXCFSA-N 1 1 362.502 4.420 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000479404616 1112008380 /nfs/dbraw/zinc/00/83/80/1112008380.db2.gz DKNQBIWSUDACCQ-NRFANRHFSA-N 1 1 351.425 4.003 20 30 FIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000553885255 1112123566 /nfs/dbraw/zinc/12/35/66/1112123566.db2.gz HNCRNAFNRBWPMZ-CYBMUJFWSA-N 1 1 359.267 4.089 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554253117 1112263399 /nfs/dbraw/zinc/26/33/99/1112263399.db2.gz GQVXFOFCHKROKP-FQEVSTJZSA-N 1 1 361.917 4.099 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262648 1112271109 /nfs/dbraw/zinc/27/11/09/1112271109.db2.gz CFZCZEXGQRWVTG-BEFAXECRSA-N 1 1 360.379 4.415 20 30 FIEDMO C=CCC1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000480621044 1112513278 /nfs/dbraw/zinc/51/32/78/1112513278.db2.gz DDNYAGHKUWGGAZ-UHFFFAOYSA-N 1 1 352.522 4.248 20 30 FIEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554879429 1112550175 /nfs/dbraw/zinc/55/01/75/1112550175.db2.gz RZOGHQZBLAAWQQ-HSZRJFAPSA-N 1 1 364.489 4.264 20 30 FIEDMO C[NH+](C)C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 ZINC000554938224 1112579923 /nfs/dbraw/zinc/57/99/23/1112579923.db2.gz OGPWMNOUSGCVIP-OAQYLSRUSA-N 1 1 371.912 4.415 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(Cl)cccc3C2)cc1Cl ZINC000554954130 1112589410 /nfs/dbraw/zinc/58/94/10/1112589410.db2.gz NSKKQCVLBMOGMF-UHFFFAOYSA-N 1 1 374.271 4.252 20 30 FIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1I ZINC000480785643 1112606615 /nfs/dbraw/zinc/60/66/15/1112606615.db2.gz MDKNMKDHKYDVEX-LBPRGKRZSA-N 1 1 362.214 4.014 20 30 FIEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000481267015 1112841372 /nfs/dbraw/zinc/84/13/72/1112841372.db2.gz FSYCGEHDHSGNMK-IBGZPJMESA-N 1 1 353.422 4.091 20 30 FIEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000481267015 1112841378 /nfs/dbraw/zinc/84/13/78/1112841378.db2.gz FSYCGEHDHSGNMK-IBGZPJMESA-N 1 1 353.422 4.091 20 30 FIEDMO COc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OCCCC#N ZINC000600182497 1112918146 /nfs/dbraw/zinc/91/81/46/1112918146.db2.gz DKXZOYDZHHJBEN-GASCZTMLSA-N 1 1 352.425 4.101 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000481615383 1112996815 /nfs/dbraw/zinc/99/68/15/1112996815.db2.gz XEXGPOIKKDKZEU-BFUOFWGJSA-N 1 1 360.404 4.207 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000481618337 1112998074 /nfs/dbraw/zinc/99/80/74/1112998074.db2.gz AAWPSJHVEQXVCE-APPDUMDISA-N 1 1 365.811 4.247 20 30 FIEDMO COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000160440200 1113379827 /nfs/dbraw/zinc/37/98/27/1113379827.db2.gz AIBGEWLWLJBYOE-UHFFFAOYSA-N 1 1 374.488 4.112 20 30 FIEDMO C=C(C)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000483305372 1113483862 /nfs/dbraw/zinc/48/38/62/1113483862.db2.gz LZDNBPCVEUSCTR-GMBSWORKSA-N 1 1 365.468 4.096 20 30 FIEDMO C=CCSc1ccccc1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000486232259 1113531601 /nfs/dbraw/zinc/53/16/01/1113531601.db2.gz QDNIMXZLFAVKBT-UHFFFAOYSA-N 1 1 367.518 4.067 20 30 FIEDMO C=CCSc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000486555261 1113593560 /nfs/dbraw/zinc/59/35/60/1113593560.db2.gz HUUJNGFFCKJQHG-YLJYHZDGSA-N 1 1 366.530 4.215 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000488185733 1113874835 /nfs/dbraw/zinc/87/48/35/1113874835.db2.gz VZDJAWROKUMAOK-AWEZNQCLSA-N 1 1 358.436 4.451 20 30 FIEDMO CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488320078 1113907409 /nfs/dbraw/zinc/90/74/09/1113907409.db2.gz DCVMPVCKKSYAIQ-CYBMUJFWSA-N 1 1 359.857 4.271 20 30 FIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000488320078 1113907412 /nfs/dbraw/zinc/90/74/12/1113907412.db2.gz DCVMPVCKKSYAIQ-CYBMUJFWSA-N 1 1 359.857 4.271 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1cccs1 ZINC000570169823 1113937360 /nfs/dbraw/zinc/93/73/60/1113937360.db2.gz YFKRWCZCEYTGRK-QFBILLFUSA-N 1 1 368.506 4.019 20 30 FIEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488625475 1113962796 /nfs/dbraw/zinc/96/27/96/1113962796.db2.gz KCFRPOCVRDSNGA-MOPGFXCFSA-N 1 1 365.468 4.096 20 30 FIEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488625475 1113962800 /nfs/dbraw/zinc/96/28/00/1113962800.db2.gz KCFRPOCVRDSNGA-MOPGFXCFSA-N 1 1 365.468 4.096 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488625352 1113962883 /nfs/dbraw/zinc/96/28/83/1113962883.db2.gz JFIZBPXBAIVWQW-TZIWHRDSSA-N 1 1 357.542 4.285 20 30 FIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000489428688 1114107210 /nfs/dbraw/zinc/10/72/10/1114107210.db2.gz NQTMXSMKXYTTCR-XLIONFOSSA-N 1 1 358.482 4.133 20 30 FIEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000489428688 1114107213 /nfs/dbraw/zinc/10/72/13/1114107213.db2.gz NQTMXSMKXYTTCR-XLIONFOSSA-N 1 1 358.482 4.133 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C2(C)CCCC2)c1C#N ZINC000489842127 1114176665 /nfs/dbraw/zinc/17/66/65/1114176665.db2.gz KWMNYWCVVZWWIB-UHFFFAOYSA-N 1 1 356.514 4.295 20 30 FIEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000490222903 1114238806 /nfs/dbraw/zinc/23/88/06/1114238806.db2.gz QJLUQQWOTAIHCW-MRXNPFEDSA-N 1 1 366.465 4.202 20 30 FIEDMO N#CCCN1CC[NH+](Cc2cccc(SCc3ccccc3)c2)CC1 ZINC000588203885 1114555131 /nfs/dbraw/zinc/55/51/31/1114555131.db2.gz NRHSYEOZLCYQRF-UHFFFAOYSA-N 1 1 351.519 4.010 20 30 FIEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000590951679 1114996221 /nfs/dbraw/zinc/99/62/21/1114996221.db2.gz BDPNVSVPJUANNS-GHTZIAJQSA-N 1 1 365.433 4.066 20 30 FIEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000590951679 1114996222 /nfs/dbraw/zinc/99/62/22/1114996222.db2.gz BDPNVSVPJUANNS-GHTZIAJQSA-N 1 1 365.433 4.066 20 30 FIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000590954071 1114996248 /nfs/dbraw/zinc/99/62/48/1114996248.db2.gz GTKQJUIBKOHLQC-KRWDZBQOSA-N 1 1 360.417 4.327 20 30 FIEDMO C=CCOc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1Cl ZINC000573022857 1115001354 /nfs/dbraw/zinc/00/13/54/1115001354.db2.gz ADYFELBLTUVBIU-UHFFFAOYSA-N 1 1 367.880 4.357 20 30 FIEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000057800351 1115007061 /nfs/dbraw/zinc/00/70/61/1115007061.db2.gz LKBORHDEAWKJKV-LBPRGKRZSA-N 1 1 370.503 4.251 20 30 FIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c(OC)c1 ZINC000046089100 1115186019 /nfs/dbraw/zinc/18/60/19/1115186019.db2.gz GPFXVAQAVQCGSR-RTBURBONSA-N 1 1 373.518 4.062 20 30 FIEDMO COc1cc([C@H](C)[NH2+]Cc2ccncc2C#N)ccc1OCCC(C)C ZINC000592091690 1115202728 /nfs/dbraw/zinc/20/27/28/1115202728.db2.gz BBGTUFNEGCIXRP-INIZCTEOSA-N 1 1 353.466 4.238 20 30 FIEDMO N#CC[C@]1(O)CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000592148939 1115205912 /nfs/dbraw/zinc/20/59/12/1115205912.db2.gz FROPXLJSZDLRFB-QFIPXVFZSA-N 1 1 370.443 4.227 20 30 FIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186102 1115206324 /nfs/dbraw/zinc/20/63/24/1115206324.db2.gz BIXDDIBJVDNNSP-UYAOXDASSA-N 1 1 363.505 4.111 20 30 FIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186102 1115206328 /nfs/dbraw/zinc/20/63/28/1115206328.db2.gz BIXDDIBJVDNNSP-UYAOXDASSA-N 1 1 363.505 4.111 20 30 FIEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000592143520 1115207943 /nfs/dbraw/zinc/20/79/43/1115207943.db2.gz GNYCWQHHSLBEQL-FQEVSTJZSA-N 1 1 371.481 4.185 20 30 FIEDMO CC(C)[C@H]1[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC12CC=CC2 ZINC000592528593 1115241046 /nfs/dbraw/zinc/24/10/46/1115241046.db2.gz UGJFGNFJYYCKLI-OAQYLSRUSA-N 1 1 361.493 4.035 20 30 FIEDMO CC(C)(C)Oc1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1C#N ZINC000574038205 1115286594 /nfs/dbraw/zinc/28/65/94/1115286594.db2.gz FRFKMZUPYWQHEN-UHFFFAOYSA-N 1 1 372.513 4.074 20 30 FIEDMO CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000167820067 1115337792 /nfs/dbraw/zinc/33/77/92/1115337792.db2.gz GVEFCXNUNWNBMK-GOSISDBHSA-N 1 1 370.518 4.114 20 30 FIEDMO CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000167820067 1115337798 /nfs/dbraw/zinc/33/77/98/1115337798.db2.gz GVEFCXNUNWNBMK-GOSISDBHSA-N 1 1 370.518 4.114 20 30 FIEDMO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594511450 1115456489 /nfs/dbraw/zinc/45/64/89/1115456489.db2.gz NIQRFCRNEFFCNC-NRFANRHFSA-N 1 1 358.489 4.295 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)c1C ZINC000594535114 1115461020 /nfs/dbraw/zinc/46/10/20/1115461020.db2.gz TYOIUCCRGRZXRJ-HNNXBMFYSA-N 1 1 363.465 4.124 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc(C[C@H](CC#N)c3ccccc3)n2)c1C ZINC000594535544 1115461656 /nfs/dbraw/zinc/46/16/56/1115461656.db2.gz YEOQDVYYBHZNSD-IBGZPJMESA-N 1 1 363.465 4.146 20 30 FIEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccnc2)no1 ZINC000594929096 1115490363 /nfs/dbraw/zinc/49/03/63/1115490363.db2.gz YQFGIPCEWYBOTN-LJQANCHMSA-N 1 1 373.460 4.174 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000574892010 1115513305 /nfs/dbraw/zinc/51/33/05/1115513305.db2.gz PSMUIVUBEQJXTO-CQSZACIVSA-N 1 1 369.415 4.043 20 30 FIEDMO CCc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000046721781 1115514769 /nfs/dbraw/zinc/51/47/69/1115514769.db2.gz KPCFILJRNSQRQN-UHFFFAOYSA-N 1 1 353.491 4.175 20 30 FIEDMO CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000595295764 1115521218 /nfs/dbraw/zinc/52/12/18/1115521218.db2.gz RHNSQLFJAFHKFE-QRWLVFNGSA-N 1 1 365.502 4.444 20 30 FIEDMO N#Cc1ccc(CC[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000595438875 1115535824 /nfs/dbraw/zinc/53/58/24/1115535824.db2.gz IVKSDXCHHZYKMC-UHFFFAOYSA-N 1 1 364.489 4.051 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621449 1115551615 /nfs/dbraw/zinc/55/16/15/1115551615.db2.gz VASMPQLJIKYUGF-PXNSSMCTSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621449 1115551618 /nfs/dbraw/zinc/55/16/18/1115551618.db2.gz VASMPQLJIKYUGF-PXNSSMCTSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621452 1115551689 /nfs/dbraw/zinc/55/16/89/1115551689.db2.gz VASMPQLJIKYUGF-YLJYHZDGSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621452 1115551691 /nfs/dbraw/zinc/55/16/91/1115551691.db2.gz VASMPQLJIKYUGF-YLJYHZDGSA-N 1 1 358.445 4.452 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593085574 1115552203 /nfs/dbraw/zinc/55/22/03/1115552203.db2.gz ZUWOXHGEYZJBCR-KRWDZBQOSA-N 1 1 371.481 4.185 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000595614706 1115553407 /nfs/dbraw/zinc/55/34/07/1115553407.db2.gz MTCHZVRZNDOXTP-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000595614706 1115553408 /nfs/dbraw/zinc/55/34/08/1115553408.db2.gz MTCHZVRZNDOXTP-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613395 1115553899 /nfs/dbraw/zinc/55/38/99/1115553899.db2.gz CJOYTWCUTVOBRC-QUCCMNQESA-N 1 1 361.489 4.230 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613395 1115553901 /nfs/dbraw/zinc/55/39/01/1115553901.db2.gz CJOYTWCUTVOBRC-QUCCMNQESA-N 1 1 361.489 4.230 20 30 FIEDMO Cn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 ZINC000595640623 1115554372 /nfs/dbraw/zinc/55/43/72/1115554372.db2.gz RVLPMUZWVZNJHE-UHFFFAOYSA-N 1 1 365.868 4.032 20 30 FIEDMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595615754 1115554411 /nfs/dbraw/zinc/55/44/11/1115554411.db2.gz NQYSAWRDCQAVIO-GHTZIAJQSA-N 1 1 367.537 4.273 20 30 FIEDMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595615754 1115554414 /nfs/dbraw/zinc/55/44/14/1115554414.db2.gz NQYSAWRDCQAVIO-GHTZIAJQSA-N 1 1 367.537 4.273 20 30 FIEDMO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595800987 1115562115 /nfs/dbraw/zinc/56/21/15/1115562115.db2.gz PJDMUDICLSEFIR-GOSISDBHSA-N 1 1 351.498 4.047 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Br)c1 ZINC000595789319 1115563191 /nfs/dbraw/zinc/56/31/91/1115563191.db2.gz QUMIQXFSWYZSLM-SJLPKXTDSA-N 1 1 363.299 4.102 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(C(F)(F)F)c1 ZINC000595786276 1115563245 /nfs/dbraw/zinc/56/32/45/1115563245.db2.gz HIUWKGBWNTYZDV-WMZOPIPTSA-N 1 1 352.400 4.358 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000595845652 1115563744 /nfs/dbraw/zinc/56/37/44/1115563744.db2.gz SAVXSDPZFJLWHG-CALCHBBNSA-N 1 1 352.434 4.201 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595837703 1115563833 /nfs/dbraw/zinc/56/38/33/1115563833.db2.gz RQSXXLLQUULAMD-SJLPKXTDSA-N 1 1 371.550 4.389 20 30 FIEDMO COc1cccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCC2)c1 ZINC000595855757 1115564674 /nfs/dbraw/zinc/56/46/74/1115564674.db2.gz ZNBKUYPGQRKSJG-UHFFFAOYSA-N 1 1 371.278 4.498 20 30 FIEDMO Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596101510 1115572476 /nfs/dbraw/zinc/57/24/76/1115572476.db2.gz MACBFRXSQWRGGO-HNNXBMFYSA-N 1 1 370.478 4.161 20 30 FIEDMO Cc1cc(NCC(C)(C)CCC#N)c(C#N)c(NCC(C)(C)CCC#N)[nH+]1 ZINC000596235106 1115580142 /nfs/dbraw/zinc/58/01/42/1115580142.db2.gz HJKOGQBLQWDWGF-UHFFFAOYSA-N 1 1 366.513 4.167 20 30 FIEDMO CC(C)c1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596693532 1115608093 /nfs/dbraw/zinc/60/80/93/1115608093.db2.gz IANFOOMKRSHDPH-UHFFFAOYSA-N 1 1 361.489 4.030 20 30 FIEDMO CC(C)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596693532 1115608096 /nfs/dbraw/zinc/60/80/96/1115608096.db2.gz IANFOOMKRSHDPH-UHFFFAOYSA-N 1 1 361.489 4.030 20 30 FIEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000596736921 1115611487 /nfs/dbraw/zinc/61/14/87/1115611487.db2.gz XOSBKOKIDIOXCZ-OAHLLOKOSA-N 1 1 362.543 4.323 20 30 FIEDMO Cc1c(Br)cncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000596979036 1115630770 /nfs/dbraw/zinc/63/07/70/1115630770.db2.gz FTVAIEPVABOZRK-UHFFFAOYSA-N 1 1 356.267 4.189 20 30 FIEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCN(c2ccccn2)CC1 ZINC000597014374 1115633153 /nfs/dbraw/zinc/63/31/53/1115633153.db2.gz NKNVWTAQGUUFKW-UHFFFAOYSA-N 1 1 374.532 4.375 20 30 FIEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597156022 1115644654 /nfs/dbraw/zinc/64/46/54/1115644654.db2.gz KEHILQISCIULHV-IERDGZPVSA-N 1 1 350.437 4.343 20 30 FIEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597156022 1115644656 /nfs/dbraw/zinc/64/46/56/1115644656.db2.gz KEHILQISCIULHV-IERDGZPVSA-N 1 1 350.437 4.343 20 30 FIEDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469269 1115645292 /nfs/dbraw/zinc/64/52/92/1115645292.db2.gz VGEYYJLIKINDSO-MRXNPFEDSA-N 1 1 353.422 4.318 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597174581 1115646956 /nfs/dbraw/zinc/64/69/56/1115646956.db2.gz RIJIRPBVQQUGFP-GOSISDBHSA-N 1 1 357.461 4.060 20 30 FIEDMO COc1ccc2c(c1)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000597211966 1115648351 /nfs/dbraw/zinc/64/83/51/1115648351.db2.gz PPCXYHJSAJMWPT-UHFFFAOYSA-N 1 1 372.472 4.031 20 30 FIEDMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602908241 1115731559 /nfs/dbraw/zinc/73/15/59/1115731559.db2.gz BJYHTDDCJPQKDL-INIZCTEOSA-N 1 1 373.460 4.252 20 30 FIEDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)ccc1Br ZINC000598612548 1115739722 /nfs/dbraw/zinc/73/97/22/1115739722.db2.gz WVDOWHHOZLWWOX-RDJZCZTQSA-N 1 1 365.315 4.195 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599259908 1115803495 /nfs/dbraw/zinc/80/34/95/1115803495.db2.gz RKBABVJICCZAOO-UKRRQHHQSA-N 1 1 371.308 4.058 20 30 FIEDMO CC(C)c1nc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593722090 1115805160 /nfs/dbraw/zinc/80/51/60/1115805160.db2.gz PNPBLNQTTZWHFN-INIZCTEOSA-N 1 1 368.550 4.453 20 30 FIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000599508598 1115820661 /nfs/dbraw/zinc/82/06/61/1115820661.db2.gz UIPPWGVEFPJCIZ-UHFFFAOYSA-N 1 1 368.456 4.193 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890247 1115826612 /nfs/dbraw/zinc/82/66/12/1115826612.db2.gz VZVBYDKBULWQEE-APWZRJJASA-N 1 1 372.472 4.246 20 30 FIEDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000603892619 1115826911 /nfs/dbraw/zinc/82/69/11/1115826911.db2.gz RZXQCZQKBOTCGD-UHFFFAOYSA-N 1 1 367.518 4.002 20 30 FIEDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000603892619 1115826915 /nfs/dbraw/zinc/82/69/15/1115826915.db2.gz RZXQCZQKBOTCGD-UHFFFAOYSA-N 1 1 367.518 4.002 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000599653928 1115835735 /nfs/dbraw/zinc/83/57/35/1115835735.db2.gz XUZIQLCUSDUCRP-CZUORRHYSA-N 1 1 356.267 4.094 20 30 FIEDMO COC[C@H](C)[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000599681045 1115837488 /nfs/dbraw/zinc/83/74/88/1115837488.db2.gz BISLTTYYGWISJK-RXVVDRJESA-N 1 1 356.510 4.111 20 30 FIEDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)o1 ZINC000604435501 1115865385 /nfs/dbraw/zinc/86/53/85/1115865385.db2.gz OGYJXSGDEBEGFO-UHFFFAOYSA-N 1 1 357.841 4.106 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000604492710 1115867846 /nfs/dbraw/zinc/86/78/46/1115867846.db2.gz REWSIRYSBKRGJT-UHFFFAOYSA-N 1 1 374.488 4.281 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000062485856 1115927210 /nfs/dbraw/zinc/92/72/10/1115927210.db2.gz CSTQCEGAPONRCV-UHFFFAOYSA-N 1 1 357.542 4.081 20 30 FIEDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594031843 1115965523 /nfs/dbraw/zinc/96/55/23/1115965523.db2.gz LETJQXJVEYIRHG-UHFFFAOYSA-N 1 1 365.433 4.423 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3nc4ccccc4n3C(F)F)CCC2)cc1 ZINC000594032585 1115967460 /nfs/dbraw/zinc/96/74/60/1115967460.db2.gz JPXVSLJORLJTHC-UHFFFAOYSA-N 1 1 352.388 4.472 20 30 FIEDMO CC1CCC(N(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)C2CC2)CC1 ZINC001168423507 1116060071 /nfs/dbraw/zinc/06/00/71/1116060071.db2.gz LOHWEUIIOJQPJK-UHFFFAOYSA-N 1 1 365.521 4.092 20 30 FIEDMO CC1CCC(N(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C2CC2)CC1 ZINC001168423507 1116060072 /nfs/dbraw/zinc/06/00/72/1116060072.db2.gz LOHWEUIIOJQPJK-UHFFFAOYSA-N 1 1 365.521 4.092 20 30 FIEDMO N#CCCCCN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000608832229 1116130789 /nfs/dbraw/zinc/13/07/89/1116130789.db2.gz DHLKDRSEAOAZKU-UHFFFAOYSA-N 1 1 357.498 4.366 20 30 FIEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000608919352 1116136254 /nfs/dbraw/zinc/13/62/54/1116136254.db2.gz DGGJGXQSBGSVNP-INIZCTEOSA-N 1 1 366.465 4.202 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000534128705 1116162851 /nfs/dbraw/zinc/16/28/51/1116162851.db2.gz OVKHUASBAGCYDD-NRFANRHFSA-N 1 1 361.489 4.374 20 30 FIEDMO Cc1c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)nnn1-c1ccc(C)cc1 ZINC000594517548 1116207954 /nfs/dbraw/zinc/20/79/54/1116207954.db2.gz YNWAHTQBMFARNS-KRWDZBQOSA-N 1 1 371.488 4.486 20 30 FIEDMO C=CCC[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000457667964 1116297710 /nfs/dbraw/zinc/29/77/10/1116297710.db2.gz RLIMEGMALQPWHV-MRXNPFEDSA-N 1 1 351.372 4.034 20 30 FIEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)c2ccccc21 ZINC000462353973 1116337664 /nfs/dbraw/zinc/33/76/64/1116337664.db2.gz UBXOPNKMUCEYOU-RBZFPXEDSA-N 1 1 363.848 4.242 20 30 FIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000539587414 1116349464 /nfs/dbraw/zinc/34/94/64/1116349464.db2.gz CZVKVKBBYPHDPT-HNNXBMFYSA-N 1 1 368.262 4.368 20 30 FIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000462467149 1116357384 /nfs/dbraw/zinc/35/73/84/1116357384.db2.gz RXXZGXCHLOVRQU-KRWDZBQOSA-N 1 1 353.535 4.428 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC4(CCCC4)C3)c2)c1 ZINC000539820713 1116385157 /nfs/dbraw/zinc/38/51/57/1116385157.db2.gz HOXSWUKDQAPQOT-UHFFFAOYSA-N 1 1 362.473 4.282 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)cc1Cl ZINC000539827461 1116387091 /nfs/dbraw/zinc/38/70/91/1116387091.db2.gz BTLKSRIOZAOVNW-LJQANCHMSA-N 1 1 361.869 4.079 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)cc1Cl ZINC000539827460 1116387314 /nfs/dbraw/zinc/38/73/14/1116387314.db2.gz BTLKSRIOZAOVNW-IBGZPJMESA-N 1 1 361.869 4.079 20 30 FIEDMO C=CCOc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1Cl ZINC000462861067 1117821036 /nfs/dbraw/zinc/82/10/36/1117821036.db2.gz QSONTPSHVKFZOE-LJQANCHMSA-N 1 1 372.896 4.084 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)nnc3ccccc32)[C@H]1c1cccs1 ZINC000462882381 1117838356 /nfs/dbraw/zinc/83/83/56/1117838356.db2.gz DNZNEJREWGJWKA-XOBRGWDASA-N 1 1 363.490 4.058 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1Cl ZINC000463035179 1117928440 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ZINC000119239196 1082047789 /nfs/dbraw/zinc/04/77/89/1082047789.db2.gz UHUKLCVANDTIMN-UHFFFAOYSA-N 1 1 355.290 4.311 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000119239196 1082047796 /nfs/dbraw/zinc/04/77/96/1082047796.db2.gz UHUKLCVANDTIMN-UHFFFAOYSA-N 1 1 355.290 4.311 20 30 FIEDMO CCCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000084091478 1082248880 /nfs/dbraw/zinc/24/88/80/1082248880.db2.gz VSWLFCRJZLTIJE-LJQANCHMSA-N 1 1 367.518 4.137 20 30 FIEDMO C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000581203385 1082367568 /nfs/dbraw/zinc/36/75/68/1082367568.db2.gz QXLPNXDFNOOBOV-INIZCTEOSA-N 1 1 371.554 4.066 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000157022454 1082431107 /nfs/dbraw/zinc/43/11/07/1082431107.db2.gz MYBRMCVSFOSIGV-UTKZUKDTSA-N 1 1 351.469 4.182 20 30 FIEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1sccc1C#N)c1ccc(Cl)cc1 ZINC000581301450 1082444247 /nfs/dbraw/zinc/44/42/47/1082444247.db2.gz BHDVCMMGLWCRFE-INIZCTEOSA-N 1 1 361.898 4.086 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c(C(F)(F)F)c1 ZINC000581494332 1082621103 /nfs/dbraw/zinc/62/11/03/1082621103.db2.gz IMKHKXZHGZMSRY-FQEVSTJZSA-N 1 1 374.406 4.449 20 30 FIEDMO C#CCC1([NH2+]Cc2csc(N(C(C)=O)c3ccccc3F)n2)CCC1 ZINC000933304058 1082657460 /nfs/dbraw/zinc/65/74/60/1082657460.db2.gz YFOMNDVDMCGONQ-UHFFFAOYSA-N 1 1 357.454 4.002 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000559074212 1082884658 /nfs/dbraw/zinc/88/46/58/1082884658.db2.gz YEMVJQGBKKGYGF-UHFFFAOYSA-N 1 1 356.473 4.455 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178215942 1082987189 /nfs/dbraw/zinc/98/71/89/1082987189.db2.gz SNMXNOUFHQXMBV-SFHVURJKSA-N 1 1 368.525 4.375 20 30 FIEDMO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000430701349 1083097190 /nfs/dbraw/zinc/09/71/90/1083097190.db2.gz DQHBJMNMCLVGBU-IBGZPJMESA-N 1 1 371.550 4.077 20 30 FIEDMO COc1ccc(Cl)cc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510506472 1083123011 /nfs/dbraw/zinc/12/30/11/1083123011.db2.gz QREIGDOZPUFHNF-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000430768392 1083161997 /nfs/dbraw/zinc/16/19/97/1083161997.db2.gz KVOCLFCALFSORT-TWOQFEAHSA-N 1 1 365.901 4.063 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1Cl ZINC000430768392 1083162005 /nfs/dbraw/zinc/16/20/05/1083162005.db2.gz KVOCLFCALFSORT-TWOQFEAHSA-N 1 1 365.901 4.063 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000610613759 1083266110 /nfs/dbraw/zinc/26/61/10/1083266110.db2.gz GKINJJTWZOZKRD-IBGZPJMESA-N 1 1 358.388 4.123 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000610613759 1083266113 /nfs/dbraw/zinc/26/61/13/1083266113.db2.gz GKINJJTWZOZKRD-IBGZPJMESA-N 1 1 358.388 4.123 20 30 FIEDMO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(OC)cc1 ZINC000092217568 1083354002 /nfs/dbraw/zinc/35/40/02/1083354002.db2.gz YYEXDDKFNKEHEX-UHFFFAOYSA-N 1 1 351.475 4.402 20 30 FIEDMO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(OC)cc1 ZINC000092217568 1083354005 /nfs/dbraw/zinc/35/40/05/1083354005.db2.gz YYEXDDKFNKEHEX-UHFFFAOYSA-N 1 1 351.475 4.402 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510949656 1083526092 /nfs/dbraw/zinc/52/60/92/1083526092.db2.gz LCZUEMBWYVUJDO-UHFFFAOYSA-N 1 1 355.441 4.443 20 30 FIEDMO N#CC1(F)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000510965066 1083547104 /nfs/dbraw/zinc/54/71/04/1083547104.db2.gz DYHHCYGATLDTJK-UHFFFAOYSA-N 1 1 360.436 4.367 20 30 FIEDMO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccc(C)o1 ZINC000610932489 1083856360 /nfs/dbraw/zinc/85/63/60/1083856360.db2.gz YUJWNGXTTNPVAH-HNNXBMFYSA-N 1 1 357.454 4.471 20 30 FIEDMO CCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccc(C)o1 ZINC000610932489 1083856364 /nfs/dbraw/zinc/85/63/64/1083856364.db2.gz YUJWNGXTTNPVAH-HNNXBMFYSA-N 1 1 357.454 4.471 20 30 FIEDMO C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(C#N)cc1 ZINC000548936020 1083883709 /nfs/dbraw/zinc/88/37/09/1083883709.db2.gz GZAZHYYUJDCZDZ-HNNXBMFYSA-N 1 1 360.436 4.223 20 30 FIEDMO Cn1cc(C[N@@H+](Cc2ccco2)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179930446 1083905597 /nfs/dbraw/zinc/90/55/97/1083905597.db2.gz SFHKKRNOQJXOLI-UHFFFAOYSA-N 1 1 360.461 4.497 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CCCCC2)cc1OC ZINC000610993552 1083940319 /nfs/dbraw/zinc/94/03/19/1083940319.db2.gz UMWCXVWGSDORTO-UHFFFAOYSA-N 1 1 365.477 4.305 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC001167691406 1084129184 /nfs/dbraw/zinc/12/91/84/1084129184.db2.gz WVPIGVYOHWNOQS-HXUWFJFHSA-N 1 1 373.456 4.365 20 30 FIEDMO N#Cc1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1F ZINC000380734951 1084161081 /nfs/dbraw/zinc/16/10/81/1084161081.db2.gz LFQGODDSNCZHNI-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO N#Cc1cc(Br)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380899571 1084276580 /nfs/dbraw/zinc/27/65/80/1084276580.db2.gz NTLSFAMJGIARAO-KRWDZBQOSA-N 1 1 356.267 4.007 20 30 FIEDMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000613130211 1084374187 /nfs/dbraw/zinc/37/41/87/1084374187.db2.gz AMXFOXBJQMODJU-IBGZPJMESA-N 1 1 359.395 4.146 20 30 FIEDMO N#CCCC[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000458805864 1084436703 /nfs/dbraw/zinc/43/67/03/1084436703.db2.gz VNJJIKJCGAVKDG-NRFANRHFSA-N 1 1 368.525 4.081 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC001167534480 1084479004 /nfs/dbraw/zinc/47/90/04/1084479004.db2.gz SCFJPIAICOVKKK-GASCZTMLSA-N 1 1 356.514 4.293 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC001167534480 1084479008 /nfs/dbraw/zinc/47/90/08/1084479008.db2.gz SCFJPIAICOVKKK-GASCZTMLSA-N 1 1 356.514 4.293 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCCC3)o2)cc1 ZINC000173321602 1084613172 /nfs/dbraw/zinc/61/31/72/1084613172.db2.gz KHRFJNGMIXFTRF-UHFFFAOYSA-N 1 1 362.408 4.306 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000173620481 1084659967 /nfs/dbraw/zinc/65/99/67/1084659967.db2.gz PUHRECUKMARUKT-QRWLVFNGSA-N 1 1 351.425 4.109 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000582459303 1084695677 /nfs/dbraw/zinc/69/56/77/1084695677.db2.gz IINNYWOIBFJDJN-HXUWFJFHSA-N 1 1 361.489 4.475 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000551709680 1084703405 /nfs/dbraw/zinc/70/34/05/1084703405.db2.gz PBZIKFSOEKUNBJ-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO Fc1ccc(C#CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001167553397 1084738904 /nfs/dbraw/zinc/73/89/04/1084738904.db2.gz FSBPQHDBAKTXOM-DEOSSOPVSA-N 1 1 362.492 4.165 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000375683731 1084808960 /nfs/dbraw/zinc/80/89/60/1084808960.db2.gz VRSHQIQWNZQSRZ-RZUBCFFCSA-N 1 1 367.537 4.187 20 30 FIEDMO C[C@@H](c1cccc(NCc2ccc(Cl)cc2C#N)c1)[NH+]1CCOCC1 ZINC000478371344 1084944895 /nfs/dbraw/zinc/94/48/95/1084944895.db2.gz PUCYKFNLAIBNHK-HNNXBMFYSA-N 1 1 355.869 4.217 20 30 FIEDMO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000478420444 1084946668 /nfs/dbraw/zinc/94/66/68/1084946668.db2.gz XIQQTVCSHLUSML-OAQYLSRUSA-N 1 1 370.518 4.195 20 30 FIEDMO C=CCCn1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)nn1 ZINC000657419522 1084968164 /nfs/dbraw/zinc/96/81/64/1084968164.db2.gz UXQQNRSSDCCHLE-QGZVFWFLSA-N 1 1 374.488 4.134 20 30 FIEDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000657422446 1084974694 /nfs/dbraw/zinc/97/46/94/1084974694.db2.gz VRIIGYGZRSTUQX-GFCCVEGCSA-N 1 1 369.284 4.361 20 30 FIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1C#N ZINC001167582277 1085103712 /nfs/dbraw/zinc/10/37/12/1085103712.db2.gz NGIOZHVNFOQUFS-XMMPIXPASA-N 1 1 374.484 4.215 20 30 FIEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000158676148 1085301439 /nfs/dbraw/zinc/30/14/39/1085301439.db2.gz FIUMKHKTGLZCKO-IBGZPJMESA-N 1 1 351.450 4.406 20 30 FIEDMO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245795 1085451968 /nfs/dbraw/zinc/45/19/68/1085451968.db2.gz WUZLQTBPJUVVKI-KRWDZBQOSA-N 1 1 357.457 4.357 20 30 FIEDMO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245795 1085451973 /nfs/dbraw/zinc/45/19/73/1085451973.db2.gz WUZLQTBPJUVVKI-KRWDZBQOSA-N 1 1 357.457 4.357 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000549541332 1085504584 /nfs/dbraw/zinc/50/45/84/1085504584.db2.gz OHZAFGQULUCVTB-INIZCTEOSA-N 1 1 358.432 4.172 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000549541332 1085504589 /nfs/dbraw/zinc/50/45/89/1085504589.db2.gz OHZAFGQULUCVTB-INIZCTEOSA-N 1 1 358.432 4.172 20 30 FIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000078335877 1085711831 /nfs/dbraw/zinc/71/18/31/1085711831.db2.gz GEPOLCAPMGDJNE-UHFFFAOYSA-N 1 1 366.852 4.444 20 30 FIEDMO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447761 1085720118 /nfs/dbraw/zinc/72/01/18/1085720118.db2.gz GTISYWMXXUYISZ-KGLIPLIRSA-N 1 1 373.312 4.241 20 30 FIEDMO Cc1cc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447761 1085720129 /nfs/dbraw/zinc/72/01/29/1085720129.db2.gz GTISYWMXXUYISZ-KGLIPLIRSA-N 1 1 373.312 4.241 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1OCC)c1ccc(F)c(F)c1 ZINC000187770681 1085844393 /nfs/dbraw/zinc/84/43/93/1085844393.db2.gz IDUDPBUXDPMRRY-HXUWFJFHSA-N 1 1 360.404 4.209 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000487365593 1085858199 /nfs/dbraw/zinc/85/81/99/1085858199.db2.gz WLNIXOAMDFXBLF-UHFFFAOYSA-N 1 1 367.537 4.102 20 30 FIEDMO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(C#N)ccc2Br)cc1 ZINC001167634885 1085887439 /nfs/dbraw/zinc/88/74/39/1085887439.db2.gz JMQJGHAXUWKSMO-QGZVFWFLSA-N 1 1 371.278 4.146 20 30 FIEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(C#N)ccc2Br)cc1 ZINC001167634885 1085887449 /nfs/dbraw/zinc/88/74/49/1085887449.db2.gz JMQJGHAXUWKSMO-QGZVFWFLSA-N 1 1 371.278 4.146 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)ccc1OC ZINC000092789015 1085979978 /nfs/dbraw/zinc/97/99/78/1085979978.db2.gz UYXIGHJEFDDSGM-KRWDZBQOSA-N 1 1 358.507 4.486 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cc(Br)cs2)no1 ZINC000662081344 1086100372 /nfs/dbraw/zinc/10/03/72/1086100372.db2.gz VYIXIPLMXBNETL-TXEJJXNPSA-N 1 1 366.284 4.244 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cc(Br)cs2)no1 ZINC000662081344 1086100382 /nfs/dbraw/zinc/10/03/82/1086100382.db2.gz VYIXIPLMXBNETL-TXEJJXNPSA-N 1 1 366.284 4.244 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000662080845 1086103200 /nfs/dbraw/zinc/10/32/00/1086103200.db2.gz RJGLXRUYQXHYRH-OKILXGFUSA-N 1 1 367.262 4.100 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093872333 1086240661 /nfs/dbraw/zinc/24/06/61/1086240661.db2.gz NXGJAPHCJQMEFM-NHCUHLMSSA-N 1 1 360.436 4.488 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093872333 1086240681 /nfs/dbraw/zinc/24/06/81/1086240681.db2.gz NXGJAPHCJQMEFM-NHCUHLMSSA-N 1 1 360.436 4.488 20 30 FIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419082 1086259031 /nfs/dbraw/zinc/25/90/31/1086259031.db2.gz LNVFAMBNSBDTIN-KBXCAEBGSA-N 1 1 356.293 4.320 20 30 FIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419082 1086259040 /nfs/dbraw/zinc/25/90/40/1086259040.db2.gz LNVFAMBNSBDTIN-KBXCAEBGSA-N 1 1 356.293 4.320 20 30 FIEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000236892931 1086322867 /nfs/dbraw/zinc/32/28/67/1086322867.db2.gz ZWZIELAAPBZHIJ-GOSISDBHSA-N 1 1 365.399 4.343 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000187779050 1086369611 /nfs/dbraw/zinc/36/96/11/1086369611.db2.gz MBEAUAHZDSHNCB-SGTLLEGYSA-N 1 1 373.403 4.280 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000066955190 1086481798 /nfs/dbraw/zinc/48/17/98/1086481798.db2.gz IIHWLJIORQHGOM-INIZCTEOSA-N 1 1 374.554 4.419 20 30 FIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000178528400 1086675470 /nfs/dbraw/zinc/67/54/70/1086675470.db2.gz CUASOGCWFCDRST-QGZVFWFLSA-N 1 1 371.525 4.177 20 30 FIEDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000583438707 1086683152 /nfs/dbraw/zinc/68/31/52/1086683152.db2.gz ZQTMDLCHXNGYNL-AWEZNQCLSA-N 1 1 358.873 4.391 20 30 FIEDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000583438708 1086683396 /nfs/dbraw/zinc/68/33/96/1086683396.db2.gz ZQTMDLCHXNGYNL-CQSZACIVSA-N 1 1 358.873 4.391 20 30 FIEDMO Cc1c(Br)cc(C[NH2+]CC(C)(C)C#N)cc1Br ZINC000585767211 1086692963 /nfs/dbraw/zinc/69/29/63/1086692963.db2.gz SBBPVTMAZZKHCS-UHFFFAOYSA-N 1 1 360.093 4.159 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(F)cc2C#N)C2CC2)CC1 ZINC000728570029 1086774994 /nfs/dbraw/zinc/77/49/94/1086774994.db2.gz UHUDAMXEBSCZRR-UHFFFAOYSA-N 1 1 373.472 4.061 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)s1 ZINC000278309104 1086787392 /nfs/dbraw/zinc/78/73/92/1086787392.db2.gz FCPGPKNAZFNSQC-UHFFFAOYSA-N 1 1 366.408 4.122 20 30 FIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(Br)c1 ZINC000090117704 1086894950 /nfs/dbraw/zinc/89/49/50/1086894950.db2.gz WAYIWDOHXUNFRP-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO C=CCOc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246195551 1086903762 /nfs/dbraw/zinc/90/37/62/1086903762.db2.gz VBZXKVXZXJFZRK-RTBURBONSA-N 1 1 371.525 4.370 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000052825785 1087188292 /nfs/dbraw/zinc/18/82/92/1087188292.db2.gz CRPWXKJTBVAZIT-UHFFFAOYSA-N 1 1 353.491 4.131 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000052825785 1087188295 /nfs/dbraw/zinc/18/82/95/1087188295.db2.gz CRPWXKJTBVAZIT-UHFFFAOYSA-N 1 1 353.491 4.131 20 30 FIEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201684 1087217343 /nfs/dbraw/zinc/21/73/43/1087217343.db2.gz GHJDPTDNOWERLR-INIZCTEOSA-N 1 1 353.432 4.035 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4ccoc4c3)CC2)cc1 ZINC000584449014 1087429441 /nfs/dbraw/zinc/42/94/41/1087429441.db2.gz YUJGMIJNVRMJSB-UHFFFAOYSA-N 1 1 374.444 4.044 20 30 FIEDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000611984184 1087681056 /nfs/dbraw/zinc/68/10/56/1087681056.db2.gz QKZLZXNUKUTGPH-OAQYLSRUSA-N 1 1 350.462 4.138 20 30 FIEDMO COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1OCCCC#N ZINC000093383813 1087689924 /nfs/dbraw/zinc/68/99/24/1087689924.db2.gz LNFIQZGWZMPNDU-UHFFFAOYSA-N 1 1 354.425 4.075 20 30 FIEDMO COc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1OCCCC#N ZINC000093383813 1087689926 /nfs/dbraw/zinc/68/99/26/1087689926.db2.gz LNFIQZGWZMPNDU-UHFFFAOYSA-N 1 1 354.425 4.075 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)nn1 ZINC000424291130 1087900718 /nfs/dbraw/zinc/90/07/18/1087900718.db2.gz CZUHITQEFAHLGG-QGZVFWFLSA-N 1 1 365.506 4.063 20 30 FIEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181105253 1088252806 /nfs/dbraw/zinc/25/28/06/1088252806.db2.gz LEAVFYQZBOYCLJ-INIZCTEOSA-N 1 1 351.288 4.102 20 30 FIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000181168649 1088263035 /nfs/dbraw/zinc/26/30/35/1088263035.db2.gz OYOZZGSJQCYTCY-UHFFFAOYSA-N 1 1 359.267 4.354 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181227564 1088268275 /nfs/dbraw/zinc/26/82/75/1088268275.db2.gz RAKQMMHITXBVCI-LLVKDONJSA-N 1 1 360.211 4.080 20 30 FIEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177527129 1088349386 /nfs/dbraw/zinc/34/93/86/1088349386.db2.gz BHGFKKQXILPJRL-AEFFLSMTSA-N 1 1 365.502 4.119 20 30 FIEDMO C=CCCOCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425038478 1088390456 /nfs/dbraw/zinc/39/04/56/1088390456.db2.gz LWWXFPYNIONGSN-UHFFFAOYSA-N 1 1 365.543 4.001 20 30 FIEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000549114598 1088788305 /nfs/dbraw/zinc/78/83/05/1088788305.db2.gz VWEUPVJKSTWOFP-UHFFFAOYSA-N 1 1 372.415 4.175 20 30 FIEDMO Cc1ccccc1C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000434823740 1089059978 /nfs/dbraw/zinc/05/99/78/1089059978.db2.gz VOSGZYLVNTXDIP-UHFFFAOYSA-N 1 1 365.502 4.214 20 30 FIEDMO Cc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000434823740 1089059993 /nfs/dbraw/zinc/05/99/93/1089059993.db2.gz VOSGZYLVNTXDIP-UHFFFAOYSA-N 1 1 365.502 4.214 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccc(Br)cc1 ZINC000281990102 1089092426 /nfs/dbraw/zinc/09/24/26/1089092426.db2.gz MTXLIBYTECEASN-UHFFFAOYSA-N 1 1 365.315 4.024 20 30 FIEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902726 1089123766 /nfs/dbraw/zinc/12/37/66/1089123766.db2.gz JGUBJFYEDHQNEE-KBXCAEBGSA-N 1 1 353.853 4.028 20 30 FIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000434906591 1089129910 /nfs/dbraw/zinc/12/99/10/1089129910.db2.gz OFZKMIQQDXQATR-NRFANRHFSA-N 1 1 367.518 4.293 20 30 FIEDMO Cc1csc([C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000892856838 1089195692 /nfs/dbraw/zinc/19/56/92/1089195692.db2.gz XIZWGQQVXWDHIA-OAHLLOKOSA-N 1 1 351.479 4.080 20 30 FIEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000892911689 1089273497 /nfs/dbraw/zinc/27/34/97/1089273497.db2.gz MLLGTCGNRWWRON-UHFFFAOYSA-N 1 1 361.442 4.396 20 30 FIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435125333 1089304858 /nfs/dbraw/zinc/30/48/58/1089304858.db2.gz WLAWZEITAFFKGE-PXNSSMCTSA-N 1 1 351.498 4.259 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccs1 ZINC000644218307 1089343624 /nfs/dbraw/zinc/34/36/24/1089343624.db2.gz PVQFBOLPMJINRP-UHFFFAOYSA-N 1 1 364.898 4.427 20 30 FIEDMO C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000480757404 1089348458 /nfs/dbraw/zinc/34/84/58/1089348458.db2.gz BPTPVAFJYMTZGD-AOMKIAJQSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000480757404 1089348474 /nfs/dbraw/zinc/34/84/74/1089348474.db2.gz BPTPVAFJYMTZGD-AOMKIAJQSA-N 1 1 351.469 4.259 20 30 FIEDMO C=CCCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472772320 1089411184 /nfs/dbraw/zinc/41/11/84/1089411184.db2.gz UOAUXKGZLMWNEY-YJBOKZPZSA-N 1 1 367.896 4.127 20 30 FIEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892973018 1089539236 /nfs/dbraw/zinc/53/92/36/1089539236.db2.gz MLEPGCKAEMLUBT-INIZCTEOSA-N 1 1 359.813 4.219 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000425365975 1089595650 /nfs/dbraw/zinc/59/56/50/1089595650.db2.gz NPHRMJAXJNVSAQ-HTAPYJJXSA-N 1 1 350.462 4.309 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000728715194 1089845549 /nfs/dbraw/zinc/84/55/49/1089845549.db2.gz OUSFRTTWGIARME-WMZHIEFXSA-N 1 1 363.505 4.294 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(OCC#N)cc1 ZINC000178622648 1089954395 /nfs/dbraw/zinc/95/43/95/1089954395.db2.gz LAOVSVMSTMGIQD-LBPRGKRZSA-N 1 1 363.230 4.341 20 30 FIEDMO C=CCC[C@@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000188066145 1090156688 /nfs/dbraw/zinc/15/66/88/1090156688.db2.gz NDMYCIJEWLSDAG-OAQYLSRUSA-N 1 1 363.505 4.225 20 30 FIEDMO C=CCC[C@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000188066128 1090156863 /nfs/dbraw/zinc/15/68/63/1090156863.db2.gz NDMYCIJEWLSDAG-NRFANRHFSA-N 1 1 363.505 4.225 20 30 FIEDMO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCCO1 ZINC000511544109 1090339340 /nfs/dbraw/zinc/33/93/40/1090339340.db2.gz WVMRITPMAHNOBX-QFIPXVFZSA-N 1 1 350.462 4.138 20 30 FIEDMO CC(C)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)c1ccccc1Cl ZINC000566241833 1090354923 /nfs/dbraw/zinc/35/49/23/1090354923.db2.gz AYWUNFUSOKYHMK-OAHLLOKOSA-N 1 1 367.884 4.474 20 30 FIEDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cc2ncc(C#N)cn2)c1 ZINC000584580779 1090513808 /nfs/dbraw/zinc/51/38/08/1090513808.db2.gz IQSBETKCAXMBPC-GMAHTHKFSA-N 1 1 370.456 4.088 20 30 FIEDMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2Cc2ncc(C#N)cn2)c1 ZINC000584580779 1090513812 /nfs/dbraw/zinc/51/38/12/1090513812.db2.gz IQSBETKCAXMBPC-GMAHTHKFSA-N 1 1 370.456 4.088 20 30 FIEDMO Cn1c2ccccc2nc1C(C#N)=C(O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000584581307 1090518317 /nfs/dbraw/zinc/51/83/17/1090518317.db2.gz LLKCAEIUCUFPRG-IBGZPJMESA-N 1 1 372.472 4.049 20 30 FIEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000236845636 1090521216 /nfs/dbraw/zinc/52/12/16/1090521216.db2.gz ZWZIELAAPBZHIJ-SFHVURJKSA-N 1 1 365.399 4.343 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000500185707 1091089870 /nfs/dbraw/zinc/08/98/70/1091089870.db2.gz KODJFZXSESQKFI-OAQYLSRUSA-N 1 1 369.896 4.157 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000500185707 1091089872 /nfs/dbraw/zinc/08/98/72/1091089872.db2.gz KODJFZXSESQKFI-OAQYLSRUSA-N 1 1 369.896 4.157 20 30 FIEDMO Cc1ccc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000541555029 1091253133 /nfs/dbraw/zinc/25/31/33/1091253133.db2.gz HANCGXATZSXJAV-OAQYLSRUSA-N 1 1 356.473 4.257 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000429799695 1091285702 /nfs/dbraw/zinc/28/57/02/1091285702.db2.gz PJPMPUKQIYWIHA-FQEVSTJZSA-N 1 1 363.461 4.049 20 30 FIEDMO Clc1ccccc1C#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511762515 1091640835 /nfs/dbraw/zinc/64/08/35/1091640835.db2.gz MKGYKHMOGRRKNP-SJBKTWHCSA-N 1 1 351.877 4.196 20 30 FIEDMO C=CCC(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000432094729 1091646609 /nfs/dbraw/zinc/64/66/09/1091646609.db2.gz OBXNOCPELSSXSF-IHWFROFDSA-N 1 1 355.526 4.084 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(Br)c1 ZINC000512188178 1091790182 /nfs/dbraw/zinc/79/01/82/1091790182.db2.gz WNTZCVDMGFMKOH-UHFFFAOYSA-N 1 1 350.256 4.113 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(Br)c1 ZINC000512188178 1091790191 /nfs/dbraw/zinc/79/01/91/1091790191.db2.gz WNTZCVDMGFMKOH-UHFFFAOYSA-N 1 1 350.256 4.113 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(Br)c1 ZINC000512187963 1091790415 /nfs/dbraw/zinc/79/04/15/1091790415.db2.gz UIAHAMATVAMTTB-UHFFFAOYSA-N 1 1 368.246 4.252 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(Br)c1 ZINC000512187963 1091790424 /nfs/dbraw/zinc/79/04/24/1091790424.db2.gz UIAHAMATVAMTTB-UHFFFAOYSA-N 1 1 368.246 4.252 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)c(C#N)c1C ZINC000512192330 1091853638 /nfs/dbraw/zinc/85/36/38/1091853638.db2.gz DLUPYJBTSXAGLX-AUUYWEPGSA-N 1 1 351.450 4.180 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)c(C#N)c1C ZINC000512192330 1091853649 /nfs/dbraw/zinc/85/36/49/1091853649.db2.gz DLUPYJBTSXAGLX-AUUYWEPGSA-N 1 1 351.450 4.180 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279404527 1091893060 /nfs/dbraw/zinc/89/30/60/1091893060.db2.gz MSTGGBSUXDREQP-UHFFFAOYSA-N 1 1 371.488 4.089 20 30 FIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000121003600 1092466036 /nfs/dbraw/zinc/46/60/36/1092466036.db2.gz CDBVYHMDSJBWFD-HNNXBMFYSA-N 1 1 355.869 4.103 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442304531 1092563210 /nfs/dbraw/zinc/56/32/10/1092563210.db2.gz YXIUMCLDRQSTOL-KRWDZBQOSA-N 1 1 369.431 4.060 20 30 FIEDMO CSc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000521196701 1092574992 /nfs/dbraw/zinc/57/49/92/1092574992.db2.gz VGLHRTCFPYPOBF-UHFFFAOYSA-N 1 1 353.491 4.129 20 30 FIEDMO CSc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000521196701 1092575004 /nfs/dbraw/zinc/57/50/04/1092575004.db2.gz VGLHRTCFPYPOBF-UHFFFAOYSA-N 1 1 353.491 4.129 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C)cc1 ZINC000521221662 1092584498 /nfs/dbraw/zinc/58/44/98/1092584498.db2.gz QSHVTCTXCMCJDM-UHFFFAOYSA-N 1 1 369.896 4.417 20 30 FIEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487416586 1092608939 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COc1cc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)ccc1C#N ZINC000442799462 1092773548 /nfs/dbraw/zinc/77/35/48/1092773548.db2.gz IIMOFVCFXRRHTQ-UHFFFAOYSA-N 1 1 374.488 4.310 20 30 FIEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487423052 1092916517 /nfs/dbraw/zinc/91/65/17/1092916517.db2.gz VRBOKPRMYPYIMC-GOSISDBHSA-N 1 1 364.489 4.299 20 30 FIEDMO CC(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000521822631 1092940458 /nfs/dbraw/zinc/94/04/58/1092940458.db2.gz ZZVOFFUWFPIZPD-UHFFFAOYSA-N 1 1 353.422 4.003 20 30 FIEDMO COCC[N@@H+](C)CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512623313 1093000430 /nfs/dbraw/zinc/00/04/30/1093000430.db2.gz FBEKVVIWFZKVCM-HTAPYJJXSA-N 1 1 369.484 4.058 20 30 FIEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159297 1093012731 /nfs/dbraw/zinc/01/27/31/1093012731.db2.gz DQEYWMZAZNDDLR-MRXNPFEDSA-N 1 1 370.518 4.084 20 30 FIEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159297 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361.445 4.084 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544190380 1093950280 /nfs/dbraw/zinc/95/02/80/1093950280.db2.gz MLKYLMDTAHONJN-HOTGVXAUSA-N 1 1 359.539 4.245 20 30 FIEDMO Cc1c(C#N)cccc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000513191483 1093998270 /nfs/dbraw/zinc/99/82/70/1093998270.db2.gz OAZDLMYTMUPRDQ-HXUWFJFHSA-N 1 1 367.880 4.087 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCOCC(F)(F)F)Cc2cccc(F)c2)cc1 ZINC000513412161 1094111380 /nfs/dbraw/zinc/11/13/80/1094111380.db2.gz VWDPRXOZRSTWPL-UHFFFAOYSA-N 1 1 366.358 4.278 20 30 FIEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000513515773 1094176959 /nfs/dbraw/zinc/17/69/59/1094176959.db2.gz QMEZQIIAFHHZLG-GBXCKJPGSA-N 1 1 372.468 4.288 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280299938 1094322937 /nfs/dbraw/zinc/32/29/37/1094322937.db2.gz XTDYTDINTNPBBP-MOPGFXCFSA-N 1 1 367.537 4.214 20 30 FIEDMO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329004064 1094709218 /nfs/dbraw/zinc/70/92/18/1094709218.db2.gz WUZNPQVKRNHIMN-KXBFYZLASA-N 1 1 354.498 4.481 20 30 FIEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000329021027 1094713851 /nfs/dbraw/zinc/71/38/51/1094713851.db2.gz SRGNZNJTWPIBEF-YTQUADARSA-N 1 1 363.546 4.380 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CCCCO1)C1CCCCC1 ZINC000329144098 1094755842 /nfs/dbraw/zinc/75/58/42/1094755842.db2.gz MRRVENMACQLAFQ-LJQANCHMSA-N 1 1 359.514 4.346 20 30 FIEDMO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2Cl)n[nH]1 ZINC000329174271 1094767480 /nfs/dbraw/zinc/76/74/80/1094767480.db2.gz BAHISHHQGJTJQW-KRWDZBQOSA-N 1 1 373.888 4.429 20 30 FIEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C[C@H]1CCCC(=O)N1 ZINC000329315314 1094837363 /nfs/dbraw/zinc/83/73/63/1094837363.db2.gz DRNHMVNGJMCWRY-MOPGFXCFSA-N 1 1 371.525 4.315 20 30 FIEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 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FJNQUUFSEKNMNQ-FQEVSTJZSA-N 1 1 352.482 4.391 20 30 FIEDMO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000330008907 1095347044 /nfs/dbraw/zinc/34/70/44/1095347044.db2.gz FVVHSDPLBUBEKG-MRXNPFEDSA-N 1 1 353.466 4.226 20 30 FIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330032835 1095357471 /nfs/dbraw/zinc/35/74/71/1095357471.db2.gz VEDCKYBRNYHPIP-KLHKWILBSA-N 1 1 363.546 4.379 20 30 FIEDMO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)sc1SCC#N ZINC000330147751 1095394167 /nfs/dbraw/zinc/39/41/67/1095394167.db2.gz UHZFBOPAHXADMK-ZDUSSCGKSA-N 1 1 350.513 4.062 20 30 FIEDMO O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330254205 1095437154 /nfs/dbraw/zinc/43/71/54/1095437154.db2.gz ATMJDPFIIIANOL-FQEVSTJZSA-N 1 1 369.509 4.067 20 30 FIEDMO C[C@H]1Oc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2NC1=O ZINC000330292112 1095456919 /nfs/dbraw/zinc/45/69/19/1095456919.db2.gz GYYPOAAUXKZRHE-CXAGYDPISA-N 1 1 357.454 4.441 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCN(c3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000475049001 1095467059 /nfs/dbraw/zinc/46/70/59/1095467059.db2.gz VWESGQZIYFLSAI-UHFFFAOYSA-N 1 1 360.486 4.004 20 30 FIEDMO Cc1cccc2nc(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)n(C)c21 ZINC000330300318 1095474689 /nfs/dbraw/zinc/47/46/89/1095474689.db2.gz NBDYNNXLFMOHMH-SFHVURJKSA-N 1 1 354.498 4.135 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000502508276 1095525083 /nfs/dbraw/zinc/52/50/83/1095525083.db2.gz QSFOOYWLWIFYMV-UHFFFAOYSA-N 1 1 370.456 4.330 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000281343527 1095531254 /nfs/dbraw/zinc/53/12/54/1095531254.db2.gz MQPCQMTYFDYNLP-PMACEKPBSA-N 1 1 360.473 4.078 20 30 FIEDMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502516274 1095553610 /nfs/dbraw/zinc/55/36/10/1095553610.db2.gz MQXDLPAWHMNNKH-UHFFFAOYSA-N 1 1 373.500 4.085 20 30 FIEDMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502516274 1095553624 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COc1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)ccc1C#N ZINC000440825249 1108937226 /nfs/dbraw/zinc/93/72/26/1108937226.db2.gz QFCGLPAHFLDIMJ-UHFFFAOYSA-N 1 1 363.505 4.233 20 30 FIEDMO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000440830998 1108939910 /nfs/dbraw/zinc/93/99/10/1108939910.db2.gz LNSKVZFFDFLPAK-GOSISDBHSA-N 1 1 363.505 4.089 20 30 FIEDMO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000440830998 1108939915 /nfs/dbraw/zinc/93/99/15/1108939915.db2.gz LNSKVZFFDFLPAK-GOSISDBHSA-N 1 1 363.505 4.089 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445858262 1109012258 /nfs/dbraw/zinc/01/22/58/1109012258.db2.gz CSHSLPLHBQFLSD-KRWDZBQOSA-N 1 1 357.473 4.117 20 30 FIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897657 1109036256 /nfs/dbraw/zinc/03/62/56/1109036256.db2.gz DCKSNOQKXBJYOL-GOSISDBHSA-N 1 1 371.278 4.471 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939833 1109090824 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FIEDMO COc1ccc(C(=O)C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000448261270 1109757939 /nfs/dbraw/zinc/75/79/39/1109757939.db2.gz OXDUSOJMSXLSHK-UHFFFAOYSA-N 1 1 367.876 4.295 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3ccccc3s2)c1C#N ZINC000527485296 1109759480 /nfs/dbraw/zinc/75/94/80/1109759480.db2.gz WJULYQBVDJGGSU-ZDUSSCGKSA-N 1 1 350.443 4.410 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(-c4ccco4)n3)CCOCC2)cc1 ZINC000527808472 1109827381 /nfs/dbraw/zinc/82/73/81/1109827381.db2.gz AIXCTEANXWLHIL-UHFFFAOYSA-N 1 1 365.458 4.070 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528407412 1109984562 /nfs/dbraw/zinc/98/45/62/1109984562.db2.gz PSZRATZJMYBUTR-XOKHGSTOSA-N 1 1 352.400 4.143 20 30 FIEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000528426015 1109990850 /nfs/dbraw/zinc/99/08/50/1109990850.db2.gz SPXAPFOUVFHAET-XOKHGSTOSA-N 1 1 352.400 4.143 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1OC ZINC000449456041 1110076109 /nfs/dbraw/zinc/07/61/09/1110076109.db2.gz RYEKVFUOYASPTQ-AQNXPRMDSA-N 1 1 359.510 4.166 20 30 FIEDMO CCCc1ncc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)o1 ZINC000449614610 1110124339 /nfs/dbraw/zinc/12/43/39/1110124339.db2.gz WDNOSRXIUITVPT-UHFFFAOYSA-N 1 1 361.445 4.368 20 30 FIEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000449621219 1110127964 /nfs/dbraw/zinc/12/79/64/1110127964.db2.gz ZCWYGOHOEHHVBM-NRFANRHFSA-N 1 1 364.489 4.120 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1OC ZINC000538728857 1111266498 /nfs/dbraw/zinc/26/64/98/1111266498.db2.gz CIGSLNSFMCPAOH-JOCHJYFZSA-N 1 1 353.462 4.142 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1OC ZINC000538728857 1111266501 /nfs/dbraw/zinc/26/65/01/1111266501.db2.gz CIGSLNSFMCPAOH-JOCHJYFZSA-N 1 1 353.462 4.142 20 30 FIEDMO Cc1nc(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(Cl)cc1C#N ZINC000461779234 1111349394 /nfs/dbraw/zinc/34/93/94/1111349394.db2.gz UTOHCCZOIVXWJH-AWEZNQCLSA-N 1 1 356.857 4.052 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C)c(C#N)cc2Cl)cc1F ZINC000461778091 1111351452 /nfs/dbraw/zinc/35/14/52/1111351452.db2.gz GZZHDAPAQALHJJ-UHFFFAOYSA-N 1 1 355.804 4.160 20 30 FIEDMO Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)cc1C#N ZINC000461782492 1111354806 /nfs/dbraw/zinc/35/48/06/1111354806.db2.gz DHIAARNXKOCRQZ-AWEZNQCLSA-N 1 1 360.914 4.301 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539294795 1111505791 /nfs/dbraw/zinc/50/57/91/1111505791.db2.gz HLHJDHBPCPOSML-HNNXBMFYSA-N 1 1 374.419 4.195 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000462198506 1111539486 /nfs/dbraw/zinc/53/94/86/1111539486.db2.gz JSIKBTOQUBZSOD-HZPDHXFCSA-N 1 1 358.445 4.033 20 30 FIEDMO C=C(C)C[N@H+](C/C(C)=C\c1ccccc1COC)Cc1ccc(CO)o1 ZINC000552243949 1111634924 /nfs/dbraw/zinc/63/49/24/1111634924.db2.gz POVJUXQVOUHNMU-WQRHYEAKSA-N 1 1 355.478 4.400 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000478973262 1111924468 /nfs/dbraw/zinc/92/44/68/1111924468.db2.gz SSDBIBLUZYQALP-IBGZPJMESA-N 1 1 365.502 4.327 20 30 FIEDMO C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000479860729 1112166256 /nfs/dbraw/zinc/16/62/56/1112166256.db2.gz FVLBHFYPMQIHAK-JOCHJYFZSA-N 1 1 352.522 4.248 20 30 FIEDMO C[NH+](C)C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 ZINC000554938216 1112579907 /nfs/dbraw/zinc/57/99/07/1112579907.db2.gz OGPWMNOUSGCVIP-NRFANRHFSA-N 1 1 371.912 4.415 20 30 FIEDMO C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000480757410 1112589618 /nfs/dbraw/zinc/58/96/18/1112589618.db2.gz BPTPVAFJYMTZGD-ZHRRBRCNSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000480757410 1112589621 /nfs/dbraw/zinc/58/96/21/1112589621.db2.gz BPTPVAFJYMTZGD-ZHRRBRCNSA-N 1 1 351.469 4.259 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)o1 ZINC000600182947 1112918215 /nfs/dbraw/zinc/91/82/15/1112918215.db2.gz IUZMGGNFSPUVAV-UHFFFAOYSA-N 1 1 354.454 4.037 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(CC)s1)c1ccc(F)c(F)c1 ZINC000481582821 1112989451 /nfs/dbraw/zinc/98/94/51/1112989451.db2.gz VEYLGLWTXIVRRQ-LJQANCHMSA-N 1 1 364.461 4.112 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000481601185 1112989965 /nfs/dbraw/zinc/98/99/65/1112989965.db2.gz CCYRKENXSCQTFU-YCRPNKLZSA-N 1 1 358.432 4.391 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccc(F)c(F)c1 ZINC000481592952 1112990635 /nfs/dbraw/zinc/99/06/35/1112990635.db2.gz OQBQWXUVVNARGA-KPZWWZAWSA-N 1 1 355.388 4.319 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccc(F)c(F)c1 ZINC000481603301 1112996122 /nfs/dbraw/zinc/99/61/22/1112996122.db2.gz VRFDMTPRJBJRIY-FQEVSTJZSA-N 1 1 374.456 4.311 20 30 FIEDMO CC(C)[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000159769884 1113235213 /nfs/dbraw/zinc/23/52/13/1113235213.db2.gz LEKFQBSRLKJYOW-UHFFFAOYSA-N 1 1 360.461 4.451 20 30 FIEDMO COc1ccc(C[N@H+](CC#Cc2ccc(F)cc2)CCc2ccccn2)cc1 ZINC000483073317 1113435046 /nfs/dbraw/zinc/43/50/46/1113435046.db2.gz XRUOYDHZRICFIQ-UHFFFAOYSA-N 1 1 374.459 4.326 20 30 FIEDMO CCCOc1ccc(C[N@@H+](CCC)Cc2cc(C#N)n(C)c2)cc1OC ZINC000483171505 1113460719 /nfs/dbraw/zinc/46/07/19/1113460719.db2.gz VUDWJAPETBMFEJ-UHFFFAOYSA-N 1 1 355.482 4.106 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000613252335 1113617862 /nfs/dbraw/zinc/61/78/62/1113617862.db2.gz VZPQNNWZJKRFNJ-IKGGRYGDSA-N 1 1 372.488 4.133 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488012574 1113840559 /nfs/dbraw/zinc/84/05/59/1113840559.db2.gz HZQXSODWDCKFED-ROUUACIJSA-N 1 1 367.896 4.220 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488012574 1113840564 /nfs/dbraw/zinc/84/05/64/1113840564.db2.gz HZQXSODWDCKFED-ROUUACIJSA-N 1 1 367.896 4.220 20 30 FIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)[C@H]1c1cccs1 ZINC000570169821 1113937553 /nfs/dbraw/zinc/93/75/53/1113937553.db2.gz YFKRWCZCEYTGRK-APWZRJJASA-N 1 1 368.506 4.019 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488625349 1113962991 /nfs/dbraw/zinc/96/29/91/1113962991.db2.gz JFIZBPXBAIVWQW-CTNGQTDRSA-N 1 1 357.542 4.285 20 30 FIEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H](C)C1 ZINC000488737942 1113984403 /nfs/dbraw/zinc/98/44/03/1113984403.db2.gz YDRSAEFERQJVSH-DCGLDWPTSA-N 1 1 372.875 4.065 20 30 FIEDMO CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488766653 1113991513 /nfs/dbraw/zinc/99/15/13/1113991513.db2.gz VSYUQNRGBNZRTJ-VGOFRKELSA-N 1 1 351.494 4.105 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489602030 1114142569 /nfs/dbraw/zinc/14/25/69/1114142569.db2.gz DMFAAOAOORQLPQ-UHFFFAOYSA-N 1 1 363.411 4.476 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489602030 1114142571 /nfs/dbraw/zinc/14/25/71/1114142571.db2.gz DMFAAOAOORQLPQ-UHFFFAOYSA-N 1 1 363.411 4.476 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489747472 1114168222 /nfs/dbraw/zinc/16/82/22/1114168222.db2.gz XLMYQLVGEWTMHT-CZUORRHYSA-N 1 1 362.399 4.251 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590604231 1114295475 /nfs/dbraw/zinc/29/54/75/1114295475.db2.gz DQKYUQCBZUXJMG-FQEVSTJZSA-N 1 1 355.526 4.055 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1cccc(Br)c1 ZINC000913117008 1114300337 /nfs/dbraw/zinc/30/03/37/1114300337.db2.gz TYKQTYMIDCKVNX-INIZCTEOSA-N 1 1 352.297 4.232 20 30 FIEDMO Cn1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490582839 1114304113 /nfs/dbraw/zinc/30/41/13/1114304113.db2.gz AUJQKGOSXZBLPP-UHFFFAOYSA-N 1 1 356.473 4.252 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054718132 1114384612 /nfs/dbraw/zinc/38/46/12/1114384612.db2.gz NCDBCDVFCCPMRH-HKUYNNGSSA-N 1 1 369.534 4.281 20 30 FIEDMO N#Cc1cc(Cl)cc(Br)c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587309759 1114436329 /nfs/dbraw/zinc/43/63/29/1114436329.db2.gz PMCNSQFUYRIQFM-QWHCGFSZSA-N 1 1 354.679 4.013 20 30 FIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(O)c(OC)c1 ZINC000164413517 1114494792 /nfs/dbraw/zinc/49/47/92/1114494792.db2.gz RVFHJHYOGRUNIW-HXUWFJFHSA-N 1 1 367.489 4.168 20 30 FIEDMO CC[N@@H+]1CC[C@@H](NC(=O)CCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588666038 1114586873 /nfs/dbraw/zinc/58/68/73/1114586873.db2.gz PXDLCRYVUHVNLN-IEBWSBKVSA-N 1 1 365.880 4.205 20 30 FIEDMO CC[N@H+]1CC[C@@H](NC(=O)CCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588666038 1114586879 /nfs/dbraw/zinc/58/68/79/1114586879.db2.gz PXDLCRYVUHVNLN-IEBWSBKVSA-N 1 1 365.880 4.205 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000588980507 1114684758 /nfs/dbraw/zinc/68/47/58/1114684758.db2.gz PNEQBDAQAXYMSJ-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO CO[C@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000588979056 1114684808 /nfs/dbraw/zinc/68/48/08/1114684808.db2.gz ZEGWUFXEYGKXAW-HXUWFJFHSA-N 1 1 358.869 4.048 20 30 FIEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000588986785 1114685078 /nfs/dbraw/zinc/68/50/78/1114685078.db2.gz VQWHQMQYPVXSQW-GASCZTMLSA-N 1 1 374.410 4.071 20 30 FIEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1Cc1ccnc(C#N)c1 ZINC000588986785 1114685082 /nfs/dbraw/zinc/68/50/82/1114685082.db2.gz VQWHQMQYPVXSQW-GASCZTMLSA-N 1 1 374.410 4.071 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC(F)F)c1 ZINC000589743964 1114832587 /nfs/dbraw/zinc/83/25/87/1114832587.db2.gz SZAJDYUZFRSAJO-RCCFBDPRSA-N 1 1 364.436 4.065 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000589951222 1114866959 /nfs/dbraw/zinc/86/69/59/1114866959.db2.gz SDIGEGNVRKETCR-GOOCMWNKSA-N 1 1 364.474 4.472 20 30 FIEDMO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000590013651 1114873881 /nfs/dbraw/zinc/87/38/81/1114873881.db2.gz UVNZRRWPEUOLBH-UHFFFAOYSA-N 1 1 360.486 4.004 20 30 FIEDMO N#CCCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000590257800 1114912138 /nfs/dbraw/zinc/91/21/38/1114912138.db2.gz FGHDRKAKDQDQOH-MOPGFXCFSA-N 1 1 372.465 4.069 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1 ZINC000057432491 1114930010 /nfs/dbraw/zinc/93/00/10/1114930010.db2.gz XPJOGVTXRLJKHZ-UHFFFAOYSA-N 1 1 350.466 4.467 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(C#N)c(Cl)s1 ZINC000590573380 1114949943 /nfs/dbraw/zinc/94/99/43/1114949943.db2.gz XYVGUMDIEABBIF-ZDUSSCGKSA-N 1 1 360.914 4.077 20 30 FIEDMO COc1cc(C[N@@H+]2CCC[C@@H]2CF)ccc1OCc1cccc(C#N)c1 ZINC000573342914 1115092635 /nfs/dbraw/zinc/09/26/35/1115092635.db2.gz QNUYBZSGXXRBFZ-LJQANCHMSA-N 1 1 354.425 4.080 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@@H]2CF)ccc1OCc1cccc(C#N)c1 ZINC000573342914 1115092638 /nfs/dbraw/zinc/09/26/38/1115092638.db2.gz QNUYBZSGXXRBFZ-LJQANCHMSA-N 1 1 354.425 4.080 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573721517 1115177460 /nfs/dbraw/zinc/17/74/60/1115177460.db2.gz LEXBOZBIAWWGCH-XBXGTLAGSA-N 1 1 373.806 4.203 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000573732680 1115178561 /nfs/dbraw/zinc/17/85/61/1115178561.db2.gz MBZMDLRHCBDEHG-QZTJIDSGSA-N 1 1 368.308 4.089 20 30 FIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccncc2C#N)ccc1OCCC(C)C ZINC000592091691 1115202498 /nfs/dbraw/zinc/20/24/98/1115202498.db2.gz BBGTUFNEGCIXRP-MRXNPFEDSA-N 1 1 353.466 4.238 20 30 FIEDMO Cc1sc(NC(=O)C[NH2+]C2(c3ccccc3Cl)CC2)c(C#N)c1C ZINC000592137742 1115206742 /nfs/dbraw/zinc/20/67/42/1115206742.db2.gz OPFPTNISBHPCES-UHFFFAOYSA-N 1 1 359.882 4.107 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000592187101 1115207091 /nfs/dbraw/zinc/20/70/91/1115207091.db2.gz KHFDIBVCBQFHPU-HSZRJFAPSA-N 1 1 371.484 4.327 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000592187101 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C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542021 1124356595 /nfs/dbraw/zinc/35/65/95/1124356595.db2.gz BWNVHYJBXVYLTR-XQBPLPMBSA-N 1 1 363.505 4.293 20 30 FIEDMO N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000303067190 1124392526 /nfs/dbraw/zinc/39/25/26/1124392526.db2.gz WDVFPKMOBUZHGB-KRWDZBQOSA-N 1 1 353.853 4.062 20 30 FIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617219513 1124494734 /nfs/dbraw/zinc/49/47/34/1124494734.db2.gz HVRNHYCYZUXVAQ-GWCFXTLKSA-N 1 1 361.205 4.484 20 30 FIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617219513 1124494741 /nfs/dbraw/zinc/49/47/41/1124494741.db2.gz HVRNHYCYZUXVAQ-GWCFXTLKSA-N 1 1 361.205 4.484 20 30 FIEDMO N#CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246486815 1124513875 /nfs/dbraw/zinc/51/38/75/1124513875.db2.gz GWGAJUXMFLXNBW-FCHUYYIVSA-N 1 1 361.489 4.060 20 30 FIEDMO CSc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405192 1124564569 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C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000311592404 1125193869 /nfs/dbraw/zinc/19/38/69/1125193869.db2.gz GUBKSSNVHNXUDW-QFIPXVFZSA-N 1 1 350.506 4.253 20 30 FIEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311592404 1125193871 /nfs/dbraw/zinc/19/38/71/1125193871.db2.gz GUBKSSNVHNXUDW-QFIPXVFZSA-N 1 1 350.506 4.253 20 30 FIEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311592404 1125193874 /nfs/dbraw/zinc/19/38/74/1125193874.db2.gz GUBKSSNVHNXUDW-QFIPXVFZSA-N 1 1 350.506 4.253 20 30 FIEDMO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000182099597 1125235988 /nfs/dbraw/zinc/23/59/88/1125235988.db2.gz YHSQYFRQPXLBSO-HNNXBMFYSA-N 1 1 355.432 4.152 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cc1F ZINC000618805596 1125284361 /nfs/dbraw/zinc/28/43/61/1125284361.db2.gz ITBXGHRNAXTGIF-MGPLVRAMSA-N 1 1 360.230 4.193 20 30 FIEDMO Cc1oc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000182193521 1125286262 /nfs/dbraw/zinc/28/62/62/1125286262.db2.gz LAAMKVFAQNVBOU-UHFFFAOYSA-N 1 1 373.456 4.260 20 30 FIEDMO N#Cc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000922086226 1125301066 /nfs/dbraw/zinc/30/10/66/1125301066.db2.gz FGNLCBXOUSKCAO-CQSZACIVSA-N 1 1 360.788 4.115 20 30 FIEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093478388 1125412915 /nfs/dbraw/zinc/41/29/15/1125412915.db2.gz SMEBGLIQPLIEFN-QFIPXVFZSA-N 1 1 350.462 4.251 20 30 FIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093478388 1125412920 /nfs/dbraw/zinc/41/29/20/1125412920.db2.gz SMEBGLIQPLIEFN-QFIPXVFZSA-N 1 1 350.462 4.251 20 30 FIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1ccccc1 ZINC000619068838 1125442911 /nfs/dbraw/zinc/44/29/11/1125442911.db2.gz YTLBLVYILZMZIK-JOCHJYFZSA-N 1 1 371.488 4.442 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc(OC)c1O ZINC000093593210 1125452859 /nfs/dbraw/zinc/45/28/59/1125452859.db2.gz QIAMQDNLSMFWJD-SFHVURJKSA-N 1 1 353.462 4.127 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000108974803 206042534 /nfs/dbraw/zinc/04/25/34/206042534.db2.gz OSSOOYYSZWKCNI-LBPRGKRZSA-N 1 1 359.882 4.437 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000108974803 206042539 /nfs/dbraw/zinc/04/25/39/206042539.db2.gz OSSOOYYSZWKCNI-LBPRGKRZSA-N 1 1 359.882 4.437 20 30 FIEDMO Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cc1C ZINC000122502665 206112560 /nfs/dbraw/zinc/11/25/60/206112560.db2.gz MKNJGPHMZZBZCL-GOSISDBHSA-N 1 1 353.491 4.402 20 30 FIEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(OC3CCC3)CC2)cc1OC ZINC000628314398 567936666 /nfs/dbraw/zinc/93/66/66/567936666.db2.gz YKCLDQPXSZLZKW-UHFFFAOYSA-N 1 1 365.901 4.447 20 30 FIEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000602590499 567994956 /nfs/dbraw/zinc/99/49/56/567994956.db2.gz VBAPIGSREHTNQW-QGZVFWFLSA-N 1 1 369.534 4.117 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000481536986 568032489 /nfs/dbraw/zinc/03/24/89/568032489.db2.gz APHSWABIYAUMQL-INIZCTEOSA-N 1 1 369.440 4.115 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000481536986 568032490 /nfs/dbraw/zinc/03/24/90/568032490.db2.gz APHSWABIYAUMQL-INIZCTEOSA-N 1 1 369.440 4.115 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602795422 568035115 /nfs/dbraw/zinc/03/51/15/568035115.db2.gz MVLPNBIXSULNKM-PKOBYXMFSA-N 1 1 365.481 4.211 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC000568458036 568040101 /nfs/dbraw/zinc/04/01/01/568040101.db2.gz SZSQCWWSOHYANP-QGZVFWFLSA-N 1 1 367.880 4.105 20 30 FIEDMO N#Cc1c(C(F)F)cccc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000568476545 568042513 /nfs/dbraw/zinc/04/25/13/568042513.db2.gz ZHSREVAYMJHOLQ-UHFFFAOYSA-N 1 1 359.395 4.347 20 30 FIEDMO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000481662320 568082094 /nfs/dbraw/zinc/08/20/94/568082094.db2.gz CWLNFGCSMIGXAB-TZYHBYERSA-N 1 1 369.553 4.052 20 30 FIEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000603840506 568153799 /nfs/dbraw/zinc/15/37/99/568153799.db2.gz CKYZXZCCXJNKHM-MHJFOBGBSA-N 1 1 358.526 4.029 20 30 FIEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000330316549 568234633 /nfs/dbraw/zinc/23/46/33/568234633.db2.gz ZJQXAFWCUCKGLT-OXJNMPFZSA-N 1 1 367.497 4.082 20 30 FIEDMO Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330321346 568238289 /nfs/dbraw/zinc/23/82/89/568238289.db2.gz FXPYSHWXXJSJDC-UYAOXDASSA-N 1 1 350.466 4.010 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303637113 568268165 /nfs/dbraw/zinc/26/81/65/568268165.db2.gz ZYAHAVOACBEIMP-SIKLNZKXSA-N 1 1 351.494 4.144 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303637139 568268183 /nfs/dbraw/zinc/26/81/83/568268183.db2.gz ZYVOSIXGOJBAEN-AVRDEDQJSA-N 1 1 369.484 4.283 20 30 FIEDMO N#Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000436687142 568279775 /nfs/dbraw/zinc/27/97/75/568279775.db2.gz QNTSGCTXEJXMLJ-FCHUYYIVSA-N 1 1 354.457 4.033 20 30 FIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2C1 ZINC000563145734 568295180 /nfs/dbraw/zinc/29/51/80/568295180.db2.gz VDWAGJJTMUMKFL-QFIPXVFZSA-N 1 1 351.494 4.461 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(CC)o1 ZINC000605187459 568615014 /nfs/dbraw/zinc/61/50/14/568615014.db2.gz YYOHHKCQTPCOKH-UYAOXDASSA-N 1 1 355.478 4.147 20 30 FIEDMO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+]C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000330193026 571327942 /nfs/dbraw/zinc/32/79/42/571327942.db2.gz AFDAOAMVBPCDOX-KRWDZBQOSA-N 1 1 370.472 4.002 20 30 FIEDMO N#CC1(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)CCC1 ZINC001164618571 719077598 /nfs/dbraw/zinc/07/75/98/719077598.db2.gz BBLZUTLFQVNXAC-RBBKRZOGSA-N 1 1 372.516 4.128 20 30 FIEDMO C[N@H+](Cc1ccc(Br)c(Br)c1)CC(C)(C)C#N ZINC000552315108 1111674364 /nfs/dbraw/zinc/67/43/64/1111674364.db2.gz FSWKNKUXOQNUOU-UHFFFAOYSA-N 1 1 360.093 4.193 20 30 FIEDMO C[N@@H+](Cc1ccc(Br)c(Br)c1)CC(C)(C)C#N ZINC000552315108 1111674365 /nfs/dbraw/zinc/67/43/65/1111674365.db2.gz FSWKNKUXOQNUOU-UHFFFAOYSA-N 1 1 360.093 4.193 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000619620294 1125641915 /nfs/dbraw/zinc/64/19/15/1125641915.db2.gz KDJNAVQLBKBQKF-SFTDATJTSA-N 1 1 356.510 4.187 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000619620289 1125642059 /nfs/dbraw/zinc/64/20/59/1125642059.db2.gz KDJNAVQLBKBQKF-LEWJYISDSA-N 1 1 356.510 4.187 20 30 FIEDMO N#Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000619698919 1125658659 /nfs/dbraw/zinc/65/86/59/1125658659.db2.gz RBNCQEKITFIDPQ-MRXNPFEDSA-N 1 1 357.461 4.023 20 30 FIEDMO COc1cccc([C@H]2[C@@H](Nc3ncc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000182980937 1125708909 /nfs/dbraw/zinc/70/89/09/1125708909.db2.gz GJDGUJRFFUVJPS-OALUTQOASA-N 1 1 368.868 4.005 20 30 FIEDMO COc1cccc([C@@H]2[C@H](Nc3ncc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000182980878 1125708966 /nfs/dbraw/zinc/70/89/66/1125708966.db2.gz GJDGUJRFFUVJPS-RTBURBONSA-N 1 1 368.868 4.005 20 30 FIEDMO C=C(C)CN(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183221624 1125785249 /nfs/dbraw/zinc/78/52/49/1125785249.db2.gz MCXAFUOOBXSAIM-UHFFFAOYSA-N 1 1 370.324 4.175 20 30 FIEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)n2c1 ZINC000430195606 1079856874 /nfs/dbraw/zinc/85/68/74/1079856874.db2.gz ONOCLLKTOFERMG-SFHVURJKSA-N 1 1 368.893 4.226 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000728197112 1079946687 /nfs/dbraw/zinc/94/66/87/1079946687.db2.gz RFEDLNGFZRIKDA-LJQANCHMSA-N 1 1 368.550 4.413 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000728197112 1079946689 /nfs/dbraw/zinc/94/66/89/1079946689.db2.gz RFEDLNGFZRIKDA-LJQANCHMSA-N 1 1 368.550 4.413 20 30 FIEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000610215226 1079981647 /nfs/dbraw/zinc/98/16/47/1079981647.db2.gz BZUJNRWCEQVFMT-FQEVSTJZSA-N 1 1 353.510 4.207 20 30 FIEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000610215267 1079982613 /nfs/dbraw/zinc/98/26/13/1079982613.db2.gz NUXVQPRPOGRLKX-QFIPXVFZSA-N 1 1 361.489 4.469 20 30 FIEDMO C[N@@H+](CCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000547732391 1080296323 /nfs/dbraw/zinc/29/63/23/1080296323.db2.gz RFIFDKHNSAHGAG-KRWDZBQOSA-N 1 1 367.415 4.041 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000120627319 1080328801 /nfs/dbraw/zinc/32/88/01/1080328801.db2.gz DKFSGJDVWBYKSD-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000120627319 1080328804 /nfs/dbraw/zinc/32/88/04/1080328804.db2.gz DKFSGJDVWBYKSD-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000748098739 1080683854 /nfs/dbraw/zinc/68/38/54/1080683854.db2.gz LSYRJRZOJHFNLL-UHFFFAOYSA-N 1 1 363.770 4.148 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCc1ccccc1)CC(C)C ZINC001167192957 1080819707 /nfs/dbraw/zinc/81/97/07/1080819707.db2.gz QHZBRHOQAHIDMV-UHFFFAOYSA-N 1 1 352.478 4.146 20 30 FIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC001167240441 1080896093 /nfs/dbraw/zinc/89/60/93/1080896093.db2.gz FNKYLZZEIMKXAE-UHFFFAOYSA-N 1 1 353.441 4.184 20 30 FIEDMO C=CC[C@H]1N(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1(C)C ZINC000683457742 1081029789 /nfs/dbraw/zinc/02/97/89/1081029789.db2.gz JPCUMCSXBOXSCN-LJQANCHMSA-N 1 1 355.526 4.200 20 30 FIEDMO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccc(C#N)s3)cc2)C1 ZINC000176948733 1081170908 /nfs/dbraw/zinc/17/09/08/1081170908.db2.gz KZBNLIITFRXALN-IRXDYDNUSA-N 1 1 353.535 4.387 20 30 FIEDMO Cc1ccc2ncc(C#N)c(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2c1 ZINC000578950856 1081356997 /nfs/dbraw/zinc/35/69/97/1081356997.db2.gz SYSKBGMMBRADMD-KRWDZBQOSA-N 1 1 371.488 4.332 20 30 FIEDMO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000177645257 1081394763 /nfs/dbraw/zinc/39/47/63/1081394763.db2.gz BOVMVQDLFCMLNK-KRWDZBQOSA-N 1 1 366.509 4.113 20 30 FIEDMO C[C@@H](CN1CCOCC1)[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC001167329862 1081440537 /nfs/dbraw/zinc/44/05/37/1081440537.db2.gz NLHCOTBCEVUKDD-NRFANRHFSA-N 1 1 369.553 4.073 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cc(C#N)cs3)cc2)C1 ZINC000177685946 1081531422 /nfs/dbraw/zinc/53/14/22/1081531422.db2.gz IVTUNDPWEKVSDS-CALCHBBNSA-N 1 1 353.535 4.387 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cc(C#N)cs3)cc2)C1 ZINC000177685946 1081531424 /nfs/dbraw/zinc/53/14/24/1081531424.db2.gz IVTUNDPWEKVSDS-CALCHBBNSA-N 1 1 353.535 4.387 20 30 FIEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167350835 1081577424 /nfs/dbraw/zinc/57/74/24/1081577424.db2.gz TXHKXLZOQPQPBF-FQEVSTJZSA-N 1 1 374.525 4.091 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)C1 ZINC000580395652 1081921261 /nfs/dbraw/zinc/92/12/61/1081921261.db2.gz HLSCNJUZNQNJRW-VGOFRKELSA-N 1 1 351.494 4.331 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000581098517 1082311999 /nfs/dbraw/zinc/31/19/99/1082311999.db2.gz BKSHCEGBJKETPG-UHFFFAOYSA-N 1 1 362.370 4.413 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000160798421 1082360468 /nfs/dbraw/zinc/36/04/68/1082360468.db2.gz GDTUODPHPMFOAC-AWEZNQCLSA-N 1 1 359.267 4.372 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000581231530 1082392137 /nfs/dbraw/zinc/39/21/37/1082392137.db2.gz OPPVPHRNPFYDBV-JTSKRJEESA-N 1 1 351.494 4.474 20 30 FIEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133600 1082734762 /nfs/dbraw/zinc/73/47/62/1082734762.db2.gz RTPHKJGXXYTYNJ-IFMALSPDSA-N 1 1 350.462 4.037 20 30 FIEDMO COc1cc(OC)c(C2CC[NH+](Cc3csc(C#N)c3)CC2)c(OC)c1 ZINC000891554318 1082932806 /nfs/dbraw/zinc/93/28/06/1082932806.db2.gz VBVOVHLLFFSRFQ-UHFFFAOYSA-N 1 1 372.490 4.025 20 30 FIEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000134664766 1082983389 /nfs/dbraw/zinc/98/33/89/1082983389.db2.gz RDVOVIASYSNPNC-YJBOKZPZSA-N 1 1 362.901 4.069 20 30 FIEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000134664766 1082983391 /nfs/dbraw/zinc/98/33/91/1082983391.db2.gz RDVOVIASYSNPNC-YJBOKZPZSA-N 1 1 362.901 4.069 20 30 FIEDMO C=C(C)C[N@H+](CC/C=C\c1cncc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000581941090 1083086727 /nfs/dbraw/zinc/08/67/27/1083086727.db2.gz PNSRZTXZSMNOLA-VURMDHGXSA-N 1 1 354.498 4.349 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(C#N)cc1F ZINC000510503178 1083100100 /nfs/dbraw/zinc/10/01/00/1083100100.db2.gz SFQZJEUJEDRLNC-UHFFFAOYSA-N 1 1 366.415 4.291 20 30 FIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610581225 1083210084 /nfs/dbraw/zinc/21/00/84/1083210084.db2.gz NTELGPGVXIWTBJ-KNQAVFIVSA-N 1 1 373.456 4.133 20 30 FIEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610581225 1083210087 /nfs/dbraw/zinc/21/00/87/1083210087.db2.gz NTELGPGVXIWTBJ-KNQAVFIVSA-N 1 1 373.456 4.133 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000610613845 1083266132 /nfs/dbraw/zinc/26/61/32/1083266132.db2.gz QZISXQCYCQQTPE-GOSISDBHSA-N 1 1 360.429 4.450 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000610613845 1083266135 /nfs/dbraw/zinc/26/61/35/1083266135.db2.gz QZISXQCYCQQTPE-GOSISDBHSA-N 1 1 360.429 4.450 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320259 1083377241 /nfs/dbraw/zinc/37/72/41/1083377241.db2.gz RSHSKVVUEYHFRD-MRXNPFEDSA-N 1 1 353.422 4.296 20 30 FIEDMO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865468 1083390863 /nfs/dbraw/zinc/39/08/63/1083390863.db2.gz NIDZIPQGWUYQBS-OAHLLOKOSA-N 1 1 370.294 4.462 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000092436864 1083407109 /nfs/dbraw/zinc/40/71/09/1083407109.db2.gz VHUBRARJWZVHFZ-LJQANCHMSA-N 1 1 357.450 4.034 20 30 FIEDMO C=CCOc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000092436864 1083407112 /nfs/dbraw/zinc/40/71/12/1083407112.db2.gz VHUBRARJWZVHFZ-LJQANCHMSA-N 1 1 357.450 4.034 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)cc1Cl ZINC000092707453 1083473940 /nfs/dbraw/zinc/47/39/40/1083473940.db2.gz FDXRZDDQGZZMJQ-QGZVFWFLSA-N 1 1 364.917 4.033 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200474 1083546627 /nfs/dbraw/zinc/54/66/27/1083546627.db2.gz RFFBDLNTZKSWKA-CEWLAPEOSA-N 1 1 351.519 4.010 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200474 1083546638 /nfs/dbraw/zinc/54/66/38/1083546638.db2.gz RFFBDLNTZKSWKA-CEWLAPEOSA-N 1 1 351.519 4.010 20 30 FIEDMO C=CCC(CC=C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535695688 1083584834 /nfs/dbraw/zinc/58/48/34/1083584834.db2.gz GFGZCBFWIGDHNV-UHFFFAOYSA-N 1 1 352.522 4.270 20 30 FIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000628232524 1083590925 /nfs/dbraw/zinc/59/09/25/1083590925.db2.gz BNAPBNDNZDGNOM-SFHVURJKSA-N 1 1 365.901 4.304 20 30 FIEDMO COc1ccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)cc1C#N ZINC000375830406 1083658621 /nfs/dbraw/zinc/65/86/21/1083658621.db2.gz OCXXCEFGWFZNDX-IBGZPJMESA-N 1 1 350.466 4.046 20 30 FIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000451975574 1083748703 /nfs/dbraw/zinc/74/87/03/1083748703.db2.gz VSEPDEODBTYHFG-IBGZPJMESA-N 1 1 362.408 4.393 20 30 FIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000451975574 1083748712 /nfs/dbraw/zinc/74/87/12/1083748712.db2.gz VSEPDEODBTYHFG-IBGZPJMESA-N 1 1 362.408 4.393 20 30 FIEDMO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365139922 1083794981 /nfs/dbraw/zinc/79/49/81/1083794981.db2.gz QJJPMKDUNMLOIW-MRXNPFEDSA-N 1 1 359.477 4.423 20 30 FIEDMO CCO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610930463 1083849866 /nfs/dbraw/zinc/84/98/66/1083849866.db2.gz LCUJWNAMEYDPPG-QFIPXVFZSA-N 1 1 350.462 4.138 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)[N@H+](C)C1 ZINC000329027065 1084209421 /nfs/dbraw/zinc/20/94/21/1084209421.db2.gz VVQUMTBINUJUAO-TTYHFUOFSA-N 1 1 360.498 4.089 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)[N@@H+](C)C1 ZINC000329027065 1084209425 /nfs/dbraw/zinc/20/94/25/1084209425.db2.gz VVQUMTBINUJUAO-TTYHFUOFSA-N 1 1 360.498 4.089 20 30 FIEDMO C[N@@H+](CCCNC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000431777013 1084507669 /nfs/dbraw/zinc/50/76/69/1084507669.db2.gz VVAXKFSWVKEVSH-OAQYLSRUSA-N 1 1 370.541 4.375 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(Cl)c1 ZINC000463435935 1084606967 /nfs/dbraw/zinc/60/69/67/1084606967.db2.gz LXAJJAZLDDZZRV-NRFANRHFSA-N 1 1 354.881 4.029 20 30 FIEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000551427485 1084643954 /nfs/dbraw/zinc/64/39/54/1084643954.db2.gz LNNVTESJXRGUNZ-NRFANRHFSA-N 1 1 361.489 4.106 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119880294 1084679778 /nfs/dbraw/zinc/67/97/78/1084679778.db2.gz ZWLRLSSEJNOMBZ-DLBZAZTESA-N 1 1 366.461 4.082 20 30 FIEDMO N#C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCCC1 ZINC000332823154 1084889898 /nfs/dbraw/zinc/88/98/98/1084889898.db2.gz FFCZRAMMUSNJCW-UYAOXDASSA-N 1 1 368.525 4.082 20 30 FIEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000511104164 1084917415 /nfs/dbraw/zinc/91/74/15/1084917415.db2.gz APYYEXDJGHCUNM-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000511104164 1084917416 /nfs/dbraw/zinc/91/74/16/1084917416.db2.gz APYYEXDJGHCUNM-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO COC(=O)C[N@H+](CCCC(C)(C)C#N)CCc1ccc(Cl)cc1Cl ZINC000472229029 1085091986 /nfs/dbraw/zinc/09/19/86/1085091986.db2.gz HZMDXWSAIGLEMQ-UHFFFAOYSA-N 1 1 371.308 4.341 20 30 FIEDMO COC(=O)C[N@@H+](CCCC(C)(C)C#N)CCc1ccc(Cl)cc1Cl ZINC000472229029 1085091991 /nfs/dbraw/zinc/09/19/91/1085091991.db2.gz HZMDXWSAIGLEMQ-UHFFFAOYSA-N 1 1 371.308 4.341 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400198 /nfs/dbraw/zinc/40/01/98/1085400198.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400236 /nfs/dbraw/zinc/40/02/36/1085400236.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400242 /nfs/dbraw/zinc/40/02/42/1085400242.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 1 1 353.535 4.443 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786266 1085857641 /nfs/dbraw/zinc/85/76/41/1085857641.db2.gz SCUYVTPKPHTXKX-MRXNPFEDSA-N 1 1 356.445 4.385 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000662082946 1086115620 /nfs/dbraw/zinc/11/56/20/1086115620.db2.gz YPTPFBRESWONKF-LVCYWYKZSA-N 1 1 352.503 4.137 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4cccc(F)c4)CC3)o2)cc1 ZINC000378003270 1086137288 /nfs/dbraw/zinc/13/72/88/1086137288.db2.gz RFPIZSFFXGCNGH-UHFFFAOYSA-N 1 1 362.408 4.127 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247036342 1086146394 /nfs/dbraw/zinc/14/63/94/1086146394.db2.gz FEUFFFPCZKQRMM-ZACQAIPSSA-N 1 1 374.554 4.180 20 30 FIEDMO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000599636466 1086223690 /nfs/dbraw/zinc/22/36/90/1086223690.db2.gz OVMTYEJSSYSEAP-NVXWUHKLSA-N 1 1 365.315 4.195 20 30 FIEDMO C=CCC[C@@H](C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000188221524 1086255402 /nfs/dbraw/zinc/25/54/02/1086255402.db2.gz VZWREUVXZSPWKP-OAQYLSRUSA-N 1 1 363.505 4.225 20 30 FIEDMO Cc1nnc([C@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)s1 ZINC000278895558 1086548746 /nfs/dbraw/zinc/54/87/46/1086548746.db2.gz UTQWYNASSUCAIC-INIZCTEOSA-N 1 1 362.502 4.397 20 30 FIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000105495655 1086559802 /nfs/dbraw/zinc/55/98/02/1086559802.db2.gz DYEALNSAGHZAMB-UHFFFAOYSA-N 1 1 367.518 4.348 20 30 FIEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccncc1C#N)[C@@H](C1CCCCC1)C2 ZINC001167667597 1086567889 /nfs/dbraw/zinc/56/78/89/1086567889.db2.gz IEYJTSNWNAHEIZ-HSZRJFAPSA-N 1 1 361.489 4.469 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](Cc1ccncc1C#N)[C@@H](C1CCCCC1)C2 ZINC001167667597 1086567897 /nfs/dbraw/zinc/56/78/97/1086567897.db2.gz IEYJTSNWNAHEIZ-HSZRJFAPSA-N 1 1 361.489 4.469 20 30 FIEDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000583345265 1086587061 /nfs/dbraw/zinc/58/70/61/1086587061.db2.gz WLKVUSNLFHVTJC-LJQANCHMSA-N 1 1 371.868 4.242 20 30 FIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000583345265 1086587065 /nfs/dbraw/zinc/58/70/65/1086587065.db2.gz WLKVUSNLFHVTJC-LJQANCHMSA-N 1 1 371.868 4.242 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000548793600 1086587930 /nfs/dbraw/zinc/58/79/30/1086587930.db2.gz LLXWDJYIWSRTHC-UHFFFAOYSA-N 1 1 372.447 4.340 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000512054459 1086714014 /nfs/dbraw/zinc/71/40/14/1086714014.db2.gz VRFKYIUVWLBWQT-UHFFFAOYSA-N 1 1 363.461 4.188 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCc1ccccc1 ZINC000536083470 1086843450 /nfs/dbraw/zinc/84/34/50/1086843450.db2.gz FVAALZGWAVVGGF-SFHVURJKSA-N 1 1 367.468 4.025 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512165166 1086863581 /nfs/dbraw/zinc/86/35/81/1086863581.db2.gz GALUETNQRVWTQD-QGZVFWFLSA-N 1 1 353.224 4.217 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(-n2ccnc2)cs1 ZINC000583839732 1086988682 /nfs/dbraw/zinc/98/86/82/1086988682.db2.gz VHFLAJWUKJEBIF-UHFFFAOYSA-N 1 1 355.511 4.290 20 30 FIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)c(OC)c1 ZINC000248400007 1087137140 /nfs/dbraw/zinc/13/71/40/1087137140.db2.gz PQLPZEVMMPDWRL-ROUUACIJSA-N 1 1 373.518 4.062 20 30 FIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805680 1087178504 /nfs/dbraw/zinc/17/85/04/1087178504.db2.gz MAOVZFHGWUYATB-HNNXBMFYSA-N 1 1 355.507 4.064 20 30 FIEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC001125725868 1087558613 /nfs/dbraw/zinc/55/86/13/1087558613.db2.gz BXUFXODTDPYOCG-YLJYHZDGSA-N 1 1 365.452 4.184 20 30 FIEDMO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548851650 1087663325 /nfs/dbraw/zinc/66/33/25/1087663325.db2.gz ZEISXOUOMNFNIH-UHFFFAOYSA-N 1 1 373.570 4.058 20 30 FIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCC1 ZINC001167681431 1087725994 /nfs/dbraw/zinc/72/59/94/1087725994.db2.gz ZTPAHTAIYKUIMC-CQSZACIVSA-N 1 1 359.539 4.336 20 30 FIEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000424555846 1088052810 /nfs/dbraw/zinc/05/28/10/1088052810.db2.gz GPSANIKTQXGHRD-UHFFFAOYSA-N 1 1 368.443 4.342 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181227549 1088269157 /nfs/dbraw/zinc/26/91/57/1088269157.db2.gz RAKQMMHITXBVCI-NSHDSACASA-N 1 1 360.211 4.080 20 30 FIEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177527100 1088350049 /nfs/dbraw/zinc/35/00/49/1088350049.db2.gz BHGFKKQXILPJRL-SJLPKXTDSA-N 1 1 365.502 4.119 20 30 FIEDMO C[N@H+]1CC[C@H](CNC(=O)CCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588162847 1088400972 /nfs/dbraw/zinc/40/09/72/1088400972.db2.gz JYSCQMIRZXTXHX-BEFAXECRSA-N 1 1 365.880 4.062 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000376594670 1088641350 /nfs/dbraw/zinc/64/13/50/1088641350.db2.gz GLZSQSNIUYBACF-UHFFFAOYSA-N 1 1 360.486 4.262 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000514123298 1088791517 /nfs/dbraw/zinc/79/15/17/1088791517.db2.gz AVKNPKNEZGOQLA-OAQYLSRUSA-N 1 1 354.881 4.220 20 30 FIEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 ZINC000027776995 1088833667 /nfs/dbraw/zinc/83/36/67/1088833667.db2.gz NMRNPZCYVDFYTD-HSZRJFAPSA-N 1 1 366.505 4.197 20 30 FIEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 ZINC000027776995 1088833693 /nfs/dbraw/zinc/83/36/93/1088833693.db2.gz NMRNPZCYVDFYTD-HSZRJFAPSA-N 1 1 366.505 4.197 20 30 FIEDMO COc1ccc(C[N@@H+](CCOc2ccccc2C#N)[C@H](C)C2CC2)cc1 ZINC000505526734 1089052170 /nfs/dbraw/zinc/05/21/70/1089052170.db2.gz PRBQZDGCJHMDLK-QGZVFWFLSA-N 1 1 350.462 4.246 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1C#N ZINC000549166710 1089097282 /nfs/dbraw/zinc/09/72/82/1089097282.db2.gz RYIWUWJUARLHIK-NRFANRHFSA-N 1 1 351.469 4.088 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000434899521 1089117604 /nfs/dbraw/zinc/11/76/04/1089117604.db2.gz IJRYYEGCNVGPQR-PBHICJAKSA-N 1 1 353.491 4.053 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000434899521 1089117609 /nfs/dbraw/zinc/11/76/09/1089117609.db2.gz IJRYYEGCNVGPQR-PBHICJAKSA-N 1 1 353.491 4.053 20 30 FIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCC(C)(C)CC1 ZINC000435125306 1089305526 /nfs/dbraw/zinc/30/55/26/1089305526.db2.gz WBQRMYPIAQMZPB-UHFFFAOYSA-N 1 1 351.498 4.259 20 30 FIEDMO CC(C)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000435131191 1089313629 /nfs/dbraw/zinc/31/36/29/1089313629.db2.gz BGPGISYJGQQGGS-UHFFFAOYSA-N 1 1 351.498 4.259 20 30 FIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435129863 1089313970 /nfs/dbraw/zinc/31/39/70/1089313970.db2.gz OSHUYGOFLJYNIE-QFIPXVFZSA-N 1 1 373.504 4.312 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1OC ZINC000425372685 1089623724 /nfs/dbraw/zinc/62/37/24/1089623724.db2.gz NYOSRFYDIBIAKR-QFIPXVFZSA-N 1 1 371.521 4.431 20 30 FIEDMO CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000515134911 1089814253 /nfs/dbraw/zinc/81/42/53/1089814253.db2.gz MWBAYUNGUHQSLW-KRWDZBQOSA-N 1 1 367.468 4.129 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000728715192 1089844511 /nfs/dbraw/zinc/84/45/11/1089844511.db2.gz OUSFRTTWGIARME-AUSIDOKSSA-N 1 1 363.505 4.294 20 30 FIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472879058 1089867030 /nfs/dbraw/zinc/86/70/30/1089867030.db2.gz VIHBMXDYBSGTTA-GHTZIAJQSA-N 1 1 361.489 4.033 20 30 FIEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157804 1089907718 /nfs/dbraw/zinc/90/77/18/1089907718.db2.gz PQQGXFZZVCQXPX-XMSQKQJNSA-N 1 1 368.477 4.088 20 30 FIEDMO C=CCC[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000435763333 1089923801 /nfs/dbraw/zinc/92/38/01/1089923801.db2.gz LLCJORKQNYEASV-OAQYLSRUSA-N 1 1 355.526 4.354 20 30 FIEDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480889361 1090000894 /nfs/dbraw/zinc/00/08/94/1090000894.db2.gz NCSWFJZNIDBSRL-CQSZACIVSA-N 1 1 374.868 4.096 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000481078838 1090154053 /nfs/dbraw/zinc/15/40/53/1090154053.db2.gz RLBTXFPNCCTHHU-JKSUJKDBSA-N 1 1 351.313 4.181 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000481078838 1090154059 /nfs/dbraw/zinc/15/40/59/1090154059.db2.gz RLBTXFPNCCTHHU-JKSUJKDBSA-N 1 1 351.313 4.181 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc(C#N)cc1 ZINC000549404396 1090236991 /nfs/dbraw/zinc/23/69/91/1090236991.db2.gz NLUBSAAFJXLLIZ-UHFFFAOYSA-N 1 1 350.491 4.431 20 30 FIEDMO Cc1[nH+]c2c(n1CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CCCC2 ZINC000582073792 1090474950 /nfs/dbraw/zinc/47/49/50/1090474950.db2.gz PUGLGKDYFOGLQV-AWEZNQCLSA-N 1 1 368.506 4.103 20 30 FIEDMO C[C@@H]1C[C@H](CCNc2c(C#N)nnc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000511605906 1090691741 /nfs/dbraw/zinc/69/17/41/1090691741.db2.gz XGHOLIZIJPJHAI-MJGOQNOKSA-N 1 1 371.488 4.214 20 30 FIEDMO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000417397684 1090867086 /nfs/dbraw/zinc/86/70/86/1090867086.db2.gz YFKPSNUDXIYJAZ-BTYIYWSLSA-N 1 1 357.461 4.176 20 30 FIEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000500166956 1091079471 /nfs/dbraw/zinc/07/94/71/1091079471.db2.gz XJCNBSSZXFWICG-UHFFFAOYSA-N 1 1 367.468 4.027 20 30 FIEDMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000759788348 1091090842 /nfs/dbraw/zinc/09/08/42/1091090842.db2.gz YABLQMUFYHQQAO-UHFFFAOYSA-N 1 1 365.477 4.085 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(C#N)c1C ZINC000500217597 1091112753 /nfs/dbraw/zinc/11/27/53/1091112753.db2.gz PKHBYUZTLXYSMY-QFBILLFUSA-N 1 1 365.477 4.050 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(C#N)c1C ZINC000500217597 1091112757 /nfs/dbraw/zinc/11/27/57/1091112757.db2.gz PKHBYUZTLXYSMY-QFBILLFUSA-N 1 1 365.477 4.050 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)CC(CC)CC)c1=S ZINC000123895881 1091282973 /nfs/dbraw/zinc/28/29/73/1091282973.db2.gz NIHMQXWFHVQUQT-UHFFFAOYSA-N 1 1 359.543 4.378 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)CC(CC)CC)c1=S ZINC000123895881 1091282977 /nfs/dbraw/zinc/28/29/77/1091282977.db2.gz NIHMQXWFHVQUQT-UHFFFAOYSA-N 1 1 359.543 4.378 20 30 FIEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000511673652 1091525291 /nfs/dbraw/zinc/52/52/91/1091525291.db2.gz RSPRCAIPNHOMDS-KRWDZBQOSA-N 1 1 374.410 4.275 20 30 FIEDMO Clc1cccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511757286 1091620961 /nfs/dbraw/zinc/62/09/61/1091620961.db2.gz OJEGURQZDJSTPE-VSKRKVRLSA-N 1 1 351.877 4.196 20 30 FIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000511765283 1091649995 /nfs/dbraw/zinc/64/99/95/1091649995.db2.gz OSGSQFBTSOUBRO-SVFBPWRDSA-N 1 1 352.865 4.216 20 30 FIEDMO CCN(CC)C(=O)CCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000543871134 1091752081 /nfs/dbraw/zinc/75/20/81/1091752081.db2.gz ONMVXZXBCQOWDG-UHFFFAOYSA-N 1 1 360.929 4.052 20 30 FIEDMO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(OC)c1O ZINC000511831346 1091766499 /nfs/dbraw/zinc/76/64/99/1091766499.db2.gz XLITXZLPWHHCMA-IERDGZPVSA-N 1 1 353.462 4.091 20 30 FIEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(OC)c1O ZINC000511831346 1091766506 /nfs/dbraw/zinc/76/65/06/1091766506.db2.gz XLITXZLPWHHCMA-IERDGZPVSA-N 1 1 353.462 4.091 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899759 1091818182 /nfs/dbraw/zinc/81/81/82/1091818182.db2.gz PIUAVGGLZDSOBX-UHFFFAOYSA-N 1 1 362.433 4.147 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC(F)(F)F ZINC000512198196 1091894293 /nfs/dbraw/zinc/89/42/93/1091894293.db2.gz UWHMRIRZJMSAFK-UHFFFAOYSA-N 1 1 369.383 4.291 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC(F)(F)F ZINC000512198196 1091894294 /nfs/dbraw/zinc/89/42/94/1091894294.db2.gz UWHMRIRZJMSAFK-UHFFFAOYSA-N 1 1 369.383 4.291 20 30 FIEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279465118 1091902882 /nfs/dbraw/zinc/90/28/82/1091902882.db2.gz UWGAVNXPJTYBRV-XMSQKQJNSA-N 1 1 371.488 4.237 20 30 FIEDMO C=CCC(C)(C)CNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432557660 1091929087 /nfs/dbraw/zinc/92/90/87/1091929087.db2.gz MRENXFWHZUFIKP-FQEVSTJZSA-N 1 1 357.542 4.142 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]([C@H](C)c2ccccc2)C2CC2)c(C#N)c1C ZINC000512263982 1091974890 /nfs/dbraw/zinc/97/48/90/1091974890.db2.gz XXSRXFIMEWCDGC-CQSZACIVSA-N 1 1 353.491 4.401 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]([C@H](C)c2ccccc2)C2CC2)c(C#N)c1C ZINC000512263982 1091974893 /nfs/dbraw/zinc/97/48/93/1091974893.db2.gz XXSRXFIMEWCDGC-CQSZACIVSA-N 1 1 353.491 4.401 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cc(OC)c1O ZINC000512336468 1092073538 /nfs/dbraw/zinc/07/35/38/1092073538.db2.gz BRAUUSYZYVDMIT-LJQANCHMSA-N 1 1 353.462 4.127 20 30 FIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512421065 1092299443 /nfs/dbraw/zinc/29/94/43/1092299443.db2.gz HDUDNIYSWKEIBW-UHFFFAOYSA-N 1 1 350.506 4.492 20 30 FIEDMO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2F)ccc1OC(F)F ZINC000512438282 1092347207 /nfs/dbraw/zinc/34/72/07/1092347207.db2.gz CCXWDLCLSLKUOQ-UHFFFAOYSA-N 1 1 364.367 4.329 20 30 FIEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2F)ccc1OC(F)F ZINC000512438282 1092347217 /nfs/dbraw/zinc/34/72/17/1092347217.db2.gz CCXWDLCLSLKUOQ-UHFFFAOYSA-N 1 1 364.367 4.329 20 30 FIEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)CCc1ccccc1 ZINC000521069056 1092455639 /nfs/dbraw/zinc/45/56/39/1092455639.db2.gz ZMNXKCKFXGVHOR-UHFFFAOYSA-N 1 1 353.491 4.461 20 30 FIEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000521194471 1092561263 /nfs/dbraw/zinc/56/12/63/1092561263.db2.gz UKWSTQLEDHBDDH-UHFFFAOYSA-N 1 1 354.416 4.116 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccc1C#N ZINC000442883316 1092834862 /nfs/dbraw/zinc/83/48/62/1092834862.db2.gz UQSNFGRUIMNNOY-KRWDZBQOSA-N 1 1 367.518 4.282 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)cs2)[C@H](C)C2CC2)c(OC)c1 ZINC000549822385 1092837122 /nfs/dbraw/zinc/83/71/22/1092837122.db2.gz QFEZCGBSUUFGNP-CQSZACIVSA-N 1 1 356.491 4.438 20 30 FIEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC000521820081 1092937899 /nfs/dbraw/zinc/93/78/99/1092937899.db2.gz UFQGAUJQCOJXJK-FQEVSTJZSA-N 1 1 353.510 4.071 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000521822151 1092940322 /nfs/dbraw/zinc/94/03/22/1092940322.db2.gz BDRCMLQHKTUOKN-SJKOYZFVSA-N 1 1 356.297 4.041 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000521822151 1092940325 /nfs/dbraw/zinc/94/03/25/1092940325.db2.gz BDRCMLQHKTUOKN-SJKOYZFVSA-N 1 1 356.297 4.041 20 30 FIEDMO Cc1nnc(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(C#N)c1C ZINC000521881902 1092958592 /nfs/dbraw/zinc/95/85/92/1092958592.db2.gz DDNVERGHGKLJAK-GOSISDBHSA-N 1 1 369.900 4.085 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000245958864 1092973214 /nfs/dbraw/zinc/97/32/14/1092973214.db2.gz CKENBGHKVSBPED-BQFCYCMXSA-N 1 1 374.554 4.132 20 30 FIEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000614159768 1093013056 /nfs/dbraw/zinc/01/30/56/1093013056.db2.gz PZMWUYKRVBPVMQ-UHFFFAOYSA-N 1 1 367.537 4.102 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000614159894 1093013236 /nfs/dbraw/zinc/01/32/36/1093013236.db2.gz VFMJEOZMJNJSCT-UHFFFAOYSA-N 1 1 358.489 4.072 20 30 FIEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159296 1093014027 /nfs/dbraw/zinc/01/40/27/1093014027.db2.gz DQEYWMZAZNDDLR-INIZCTEOSA-N 1 1 370.518 4.084 20 30 FIEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159296 1093014047 /nfs/dbraw/zinc/01/40/47/1093014047.db2.gz DQEYWMZAZNDDLR-INIZCTEOSA-N 1 1 370.518 4.084 20 30 FIEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614163289 1093032954 /nfs/dbraw/zinc/03/29/54/1093032954.db2.gz XNAMQRSKGMYPME-MJGOQNOKSA-N 1 1 355.526 4.005 20 30 FIEDMO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512630799 1093036787 /nfs/dbraw/zinc/03/67/87/1093036787.db2.gz OCAHRNNGSNUEKA-CQSZACIVSA-N 1 1 352.388 4.181 20 30 FIEDMO CCOc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)cc1OCC ZINC000522037736 1093046562 /nfs/dbraw/zinc/04/65/62/1093046562.db2.gz ORFOSBSONRGWPU-IBGZPJMESA-N 1 1 359.495 4.299 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000522049325 1093056096 /nfs/dbraw/zinc/05/60/96/1093056096.db2.gz YFKZZWZFLYDQGW-KRWDZBQOSA-N 1 1 363.571 4.346 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)ccc1OC ZINC000512644338 1093058639 /nfs/dbraw/zinc/05/86/39/1093058639.db2.gz MFWXRZYGPWPUFE-FQEVSTJZSA-N 1 1 352.478 4.337 20 30 FIEDMO COc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512647840 1093070530 /nfs/dbraw/zinc/07/05/30/1093070530.db2.gz JTRLUFMJTMESLN-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000522091856 1093073029 /nfs/dbraw/zinc/07/30/29/1093073029.db2.gz WEEVLAPXUQRMTM-GOSISDBHSA-N 1 1 367.493 4.284 20 30 FIEDMO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccc(F)c1 ZINC000514523063 1093149534 /nfs/dbraw/zinc/14/95/34/1093149534.db2.gz UGJRSNVXSXDAGT-UHFFFAOYSA-N 1 1 373.859 4.248 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccc(F)c1 ZINC000514523063 1093149537 /nfs/dbraw/zinc/14/95/37/1093149537.db2.gz UGJRSNVXSXDAGT-UHFFFAOYSA-N 1 1 373.859 4.248 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000433056337 1093166938 /nfs/dbraw/zinc/16/69/38/1093166938.db2.gz YRBTUICQUDBFIO-QGZVFWFLSA-N 1 1 353.491 4.055 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000433056337 1093166941 /nfs/dbraw/zinc/16/69/41/1093166941.db2.gz YRBTUICQUDBFIO-QGZVFWFLSA-N 1 1 353.491 4.055 20 30 FIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120473872 1093215831 /nfs/dbraw/zinc/21/58/31/1093215831.db2.gz UTKXOAUWTVWIKM-FQEVSTJZSA-N 1 1 360.461 4.451 20 30 FIEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411371641 1093270927 /nfs/dbraw/zinc/27/09/27/1093270927.db2.gz ANJPIPMLHDFERF-LJQANCHMSA-N 1 1 369.509 4.271 20 30 FIEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411371641 1093270935 /nfs/dbraw/zinc/27/09/35/1093270935.db2.gz ANJPIPMLHDFERF-LJQANCHMSA-N 1 1 369.509 4.271 20 30 FIEDMO COc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805590 1093371783 /nfs/dbraw/zinc/37/17/83/1093371783.db2.gz JARMJTQBJIGBBV-UHFFFAOYSA-N 1 1 374.843 4.403 20 30 FIEDMO COc1ccc(Cl)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512805356 1093373454 /nfs/dbraw/zinc/37/34/54/1093373454.db2.gz FZZOZFLXXMMTFH-UHFFFAOYSA-N 1 1 374.843 4.403 20 30 FIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443647816 1093395329 /nfs/dbraw/zinc/39/53/29/1093395329.db2.gz LUBHDOIJHISBRP-INIZCTEOSA-N 1 1 352.384 4.337 20 30 FIEDMO COC(=O)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)C ZINC001168024936 1093425468 /nfs/dbraw/zinc/42/54/68/1093425468.db2.gz GXUMVVDHHLAVEE-UHFFFAOYSA-N 1 1 364.489 4.017 20 30 FIEDMO COC(=O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)C ZINC001168024936 1093425473 /nfs/dbraw/zinc/42/54/73/1093425473.db2.gz GXUMVVDHHLAVEE-UHFFFAOYSA-N 1 1 364.489 4.017 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512916622 1093562806 /nfs/dbraw/zinc/56/28/06/1093562806.db2.gz DXMLTTZIACMWEO-ZWKOTPCHSA-N 1 1 371.525 4.416 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000614352973 1093722639 /nfs/dbraw/zinc/72/26/39/1093722639.db2.gz ZDSYIQUTMJXMJI-KRWDZBQOSA-N 1 1 370.468 4.042 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000614352973 1093722644 /nfs/dbraw/zinc/72/26/44/1093722644.db2.gz ZDSYIQUTMJXMJI-KRWDZBQOSA-N 1 1 370.468 4.042 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247620 1094028369 /nfs/dbraw/zinc/02/83/69/1094028369.db2.gz SZSOTMLMUCJOSM-APWZRJJASA-N 1 1 365.502 4.324 20 30 FIEDMO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000664212830 1094226706 /nfs/dbraw/zinc/22/67/06/1094226706.db2.gz WNSNJVCKGCMHIT-ZHALLVOQSA-N 1 1 361.555 4.129 20 30 FIEDMO N#Cc1ccc(N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)c(F)c1 ZINC000513596625 1094231177 /nfs/dbraw/zinc/23/11/77/1094231177.db2.gz BXXJVYHGVZIWRY-UHFFFAOYSA-N 1 1 366.827 4.226 20 30 FIEDMO Cn1c2ccccc2nc1C(C#N)=C(O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000513666393 1094272847 /nfs/dbraw/zinc/27/28/47/1094272847.db2.gz MBZFOMDCRLXHMD-LJQANCHMSA-N 1 1 372.472 4.049 20 30 FIEDMO COc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207777 1094559925 /nfs/dbraw/zinc/55/99/25/1094559925.db2.gz IRCWIOCKPVGHFU-PGRDOPGGSA-N 1 1 363.505 4.052 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000501283752 1094588161 /nfs/dbraw/zinc/58/81/61/1094588161.db2.gz MGKDYCFUBZPYKK-INIZCTEOSA-N 1 1 365.408 4.227 20 30 FIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000183246488 1094621674 /nfs/dbraw/zinc/62/16/74/1094621674.db2.gz DOHCZBTZZCDTAL-JOCHJYFZSA-N 1 1 372.472 4.304 20 30 FIEDMO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329053940 1094724166 /nfs/dbraw/zinc/72/41/66/1094724166.db2.gz RZLBPXVLRZLUSM-GOEBONIOSA-N 1 1 356.470 4.276 20 30 FIEDMO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329053940 1094724179 /nfs/dbraw/zinc/72/41/79/1094724179.db2.gz RZLBPXVLRZLUSM-GOEBONIOSA-N 1 1 356.470 4.276 20 30 FIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329190898 1094774804 /nfs/dbraw/zinc/77/48/04/1094774804.db2.gz RYRPZMHRANRCQY-QQABJKMWSA-N 1 1 356.514 4.089 20 30 FIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329190898 1094774814 /nfs/dbraw/zinc/77/48/14/1094774814.db2.gz RYRPZMHRANRCQY-QQABJKMWSA-N 1 1 356.514 4.089 20 30 FIEDMO [O-]C(Nc1cccc2c1CC[N@@H+](C[C@H]1CCCOC1)C2)=[NH+]c1ccccc1 ZINC000329215837 1094783344 /nfs/dbraw/zinc/78/33/44/1094783344.db2.gz NKIHNDYNIMMHNG-QGZVFWFLSA-N 1 1 365.477 4.129 20 30 FIEDMO [O-]C(Nc1ccccc1)=[NH+]c1cccc2c1CC[N@H+](C[C@H]1CCCOC1)C2 ZINC000329215837 1094783354 /nfs/dbraw/zinc/78/33/54/1094783354.db2.gz NKIHNDYNIMMHNG-QGZVFWFLSA-N 1 1 365.477 4.129 20 30 FIEDMO [O-]C(Nc1ccccc1)=[NH+]c1cccc2c1CC[N@@H+](C[C@H]1CCCOC1)C2 ZINC000329215837 1094783366 /nfs/dbraw/zinc/78/33/66/1094783366.db2.gz NKIHNDYNIMMHNG-QGZVFWFLSA-N 1 1 365.477 4.129 20 30 FIEDMO [O-]C(Nc1cccc2c1CC[N@@H+](C[C@@H]1CCCOC1)C2)=[NH+]c1ccccc1 ZINC000329215836 1094784284 /nfs/dbraw/zinc/78/42/84/1094784284.db2.gz NKIHNDYNIMMHNG-KRWDZBQOSA-N 1 1 365.477 4.129 20 30 FIEDMO [O-]C(Nc1ccccc1)=[NH+]c1cccc2c1CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000329215836 1094784293 /nfs/dbraw/zinc/78/42/93/1094784293.db2.gz NKIHNDYNIMMHNG-KRWDZBQOSA-N 1 1 365.477 4.129 20 30 FIEDMO [O-]C(Nc1ccccc1)=[NH+]c1cccc2c1CC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000329215836 1094784300 /nfs/dbraw/zinc/78/43/00/1094784300.db2.gz NKIHNDYNIMMHNG-KRWDZBQOSA-N 1 1 365.477 4.129 20 30 FIEDMO CCc1nnc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000329255214 1094798656 /nfs/dbraw/zinc/79/86/56/1094798656.db2.gz AOAISRJQQFFKMC-ZDUSSCGKSA-N 1 1 359.499 4.195 20 30 FIEDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCCS2)C1 ZINC000329336366 1094847844 /nfs/dbraw/zinc/84/78/44/1094847844.db2.gz PETWFGASVZQQKP-WBVHZDCISA-N 1 1 361.511 4.308 20 30 FIEDMO O=C(NCCc1cscn1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329347869 1094854754 /nfs/dbraw/zinc/85/47/54/1094854754.db2.gz DKFVNWMTLIDADE-OAHLLOKOSA-N 1 1 358.511 4.149 20 30 FIEDMO CCc1cnc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)o1 ZINC000329391923 1094878509 /nfs/dbraw/zinc/87/85/09/1094878509.db2.gz SZUJEEIPOCSODB-HNNXBMFYSA-N 1 1 356.470 4.200 20 30 FIEDMO COc1ccccc1-c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000329418289 1094894689 /nfs/dbraw/zinc/89/46/89/1094894689.db2.gz DRNWCPXECBLGMF-WOJBJXKFSA-N 1 1 365.477 4.124 20 30 FIEDMO C[C@@H]1CC([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168044331 1094918793 /nfs/dbraw/zinc/91/87/93/1094918793.db2.gz FKOMIPJOOCNFOH-RTBURBONSA-N 1 1 359.517 4.358 20 30 FIEDMO C[C@@H]1CC([N@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168044331 1094918796 /nfs/dbraw/zinc/91/87/96/1094918796.db2.gz FKOMIPJOOCNFOH-RTBURBONSA-N 1 1 359.517 4.358 20 30 FIEDMO Cc1ncc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000329479688 1094927186 /nfs/dbraw/zinc/92/71/86/1094927186.db2.gz QNXGPXOEGVEAAV-OAHLLOKOSA-N 1 1 358.511 4.415 20 30 FIEDMO Cc1ccc2nc(NC(=O)C[N@@H+]3CCCC4(CCOCC4)C3)sc2c1 ZINC000329543788 1094963974 /nfs/dbraw/zinc/96/39/74/1094963974.db2.gz FPZMIMPSOSLAKK-UHFFFAOYSA-N 1 1 359.495 4.085 20 30 FIEDMO Cc1ccc2nc(NC(=O)C[N@H+]3CCCC4(CCOCC4)C3)sc2c1 ZINC000329543788 1094963980 /nfs/dbraw/zinc/96/39/80/1094963980.db2.gz FPZMIMPSOSLAKK-UHFFFAOYSA-N 1 1 359.495 4.085 20 30 FIEDMO O=C(Nc1ccc(COC2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329788417 1095264718 /nfs/dbraw/zinc/26/47/18/1095264718.db2.gz RUVLHFWQHLCIKF-UXHICEINSA-N 1 1 357.498 4.099 20 30 FIEDMO Cc1cccc([C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C)c1 ZINC000329901881 1095309036 /nfs/dbraw/zinc/30/90/36/1095309036.db2.gz OYTZIARDXHIKCS-APWZRJJASA-N 1 1 354.498 4.045 20 30 FIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000329941052 1095323599 /nfs/dbraw/zinc/32/35/99/1095323599.db2.gz UTISPOXNQUCZAL-BBRMVZONSA-N 1 1 370.428 4.216 20 30 FIEDMO Cn1c(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)nc2cccc(Cl)c21 ZINC000330060649 1095367800 /nfs/dbraw/zinc/36/78/00/1095367800.db2.gz MZVCCXNUWADTJP-INIZCTEOSA-N 1 1 360.889 4.090 20 30 FIEDMO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000330147872 1095394313 /nfs/dbraw/zinc/39/43/13/1095394313.db2.gz JAXBANZNSHMKCY-IRXDYDNUSA-N 1 1 372.557 4.107 20 30 FIEDMO Cc1nc(C2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCCCC2)no1 ZINC000330190573 1095412145 /nfs/dbraw/zinc/41/21/45/1095412145.db2.gz WGNPIAXXJPPFKK-MRXNPFEDSA-N 1 1 360.502 4.149 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)C1 ZINC000330220417 1095422759 /nfs/dbraw/zinc/42/27/59/1095422759.db2.gz QFSPXTCMRFDIMT-JKSUJKDBSA-N 1 1 368.472 4.212 20 30 FIEDMO O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330289341 1095451075 /nfs/dbraw/zinc/45/10/75/1095451075.db2.gz DUAYPHOKACLEPR-HXUWFJFHSA-N 1 1 352.482 4.126 20 30 FIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)o1 ZINC000444039616 1095636948 /nfs/dbraw/zinc/63/69/48/1095636948.db2.gz NCCVFVIUHJBIPR-YWZLYKJASA-N 1 1 363.461 4.268 20 30 FIEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000016443062 1095685768 /nfs/dbraw/zinc/68/57/68/1095685768.db2.gz PHVNIPDZUYHNMN-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000016443062 1095685778 /nfs/dbraw/zinc/68/57/78/1095685778.db2.gz PHVNIPDZUYHNMN-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO CCOc1ccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000281873397 1095726317 /nfs/dbraw/zinc/72/63/17/1095726317.db2.gz CJYQCORYHUQIPF-UHFFFAOYSA-N 1 1 354.494 4.275 20 30 FIEDMO C[C@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000281938841 1095760909 /nfs/dbraw/zinc/76/09/09/1095760909.db2.gz IRPTVRYPGDDSEG-UNMCSNQZSA-N 1 1 369.553 4.072 20 30 FIEDMO COc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)C2CC2)cc1 ZINC000281948822 1095773568 /nfs/dbraw/zinc/77/35/68/1095773568.db2.gz JKYFOEFVEQQVOI-GOSISDBHSA-N 1 1 356.510 4.396 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cc(Br)cs1 ZINC000281948805 1095774120 /nfs/dbraw/zinc/77/41/20/1095774120.db2.gz JKPHIVGLJCRTAI-UHFFFAOYSA-N 1 1 357.317 4.043 20 30 FIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1C ZINC000444171463 1095799328 /nfs/dbraw/zinc/79/93/28/1095799328.db2.gz PLIGVAJSHBPMFH-NRFANRHFSA-N 1 1 366.505 4.012 20 30 FIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1C ZINC000444171463 1095799341 /nfs/dbraw/zinc/79/93/41/1095799341.db2.gz PLIGVAJSHBPMFH-NRFANRHFSA-N 1 1 366.505 4.012 20 30 FIEDMO C=CCc1cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc(OC)c1O ZINC000513759383 1095915343 /nfs/dbraw/zinc/91/53/43/1095915343.db2.gz FJRSQDLVSFRQJX-KKSFZXQISA-N 1 1 353.462 4.091 20 30 FIEDMO C=CCc1cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc(OC)c1O ZINC000513759383 1095915344 /nfs/dbraw/zinc/91/53/44/1095915344.db2.gz FJRSQDLVSFRQJX-KKSFZXQISA-N 1 1 353.462 4.091 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502878648 1095915440 /nfs/dbraw/zinc/91/54/40/1095915440.db2.gz TZAMCGPISOAUPR-INIZCTEOSA-N 1 1 353.441 4.327 20 30 FIEDMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(OCC#N)cc1 ZINC000271780877 1096127522 /nfs/dbraw/zinc/12/75/22/1096127522.db2.gz FYFGEBFFDGTXMZ-QGZVFWFLSA-N 1 1 372.472 4.114 20 30 FIEDMO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(OCC#N)cc1 ZINC000271780868 1096127935 /nfs/dbraw/zinc/12/79/35/1096127935.db2.gz FYFGEBFFDGTXMZ-KRWDZBQOSA-N 1 1 372.472 4.114 20 30 FIEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000503193639 1096296637 /nfs/dbraw/zinc/29/66/37/1096296637.db2.gz KKMRMIVKZBXIKU-GOSISDBHSA-N 1 1 363.505 4.139 20 30 FIEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000503193639 1096296647 /nfs/dbraw/zinc/29/66/47/1096296647.db2.gz KKMRMIVKZBXIKU-GOSISDBHSA-N 1 1 363.505 4.139 20 30 FIEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000515413047 1098562687 /nfs/dbraw/zinc/56/26/87/1098562687.db2.gz YVVCNCVSJHVVCU-UHFFFAOYSA-N 1 1 355.869 4.109 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000515413047 1098562697 /nfs/dbraw/zinc/56/26/97/1098562697.db2.gz YVVCNCVSJHVVCU-UHFFFAOYSA-N 1 1 355.869 4.109 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccs2)c1 ZINC000532917013 1098607987 /nfs/dbraw/zinc/60/79/87/1098607987.db2.gz QGHWNOHTJAYDPZ-QGZVFWFLSA-N 1 1 355.507 4.132 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccs2)c1 ZINC000532917013 1098607995 /nfs/dbraw/zinc/60/79/95/1098607995.db2.gz QGHWNOHTJAYDPZ-QGZVFWFLSA-N 1 1 355.507 4.132 20 30 FIEDMO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(OC(F)F)c1 ZINC000532987749 1098655464 /nfs/dbraw/zinc/65/54/64/1098655464.db2.gz OWJOJRRRLBREIL-UHFFFAOYSA-N 1 1 364.367 4.377 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC2(C1)CCCCC2 ZINC000532972430 1098658476 /nfs/dbraw/zinc/65/84/76/1098658476.db2.gz JNEQQZVMDAJXID-CQSZACIVSA-N 1 1 357.523 4.092 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000515547364 1098687986 /nfs/dbraw/zinc/68/79/86/1098687986.db2.gz QKCVEJZPVIVEBO-LAUBAEHRSA-N 1 1 359.897 4.467 20 30 FIEDMO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C#N)CC2)cc1 ZINC000515582319 1098726690 /nfs/dbraw/zinc/72/66/90/1098726690.db2.gz VLDRTKHCPXVKHZ-UHFFFAOYSA-N 1 1 356.473 4.495 20 30 FIEDMO C[C@H](OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000425531846 1098970686 /nfs/dbraw/zinc/97/06/86/1098970686.db2.gz IGJPUKXYCDUAQF-QYWGDWMGSA-N 1 1 372.896 4.343 20 30 FIEDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425531813 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C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(C#N)cc1F ZINC000533448716 1099059324 /nfs/dbraw/zinc/05/93/24/1099059324.db2.gz OIRUYHSGNFTROM-QGZVFWFLSA-N 1 1 351.469 4.362 20 30 FIEDMO COc1ccc(OC2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000533460533 1099088218 /nfs/dbraw/zinc/08/82/18/1099088218.db2.gz JZGGMGNGRCAUIK-UHFFFAOYSA-N 1 1 355.865 4.244 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1Cl ZINC000508670672 1099159765 /nfs/dbraw/zinc/15/97/65/1099159765.db2.gz NBBFIDDTYKEDRY-MRXNPFEDSA-N 1 1 359.901 4.093 20 30 FIEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000516107313 1099207502 /nfs/dbraw/zinc/20/75/02/1099207502.db2.gz WYFSHWJFJDALBF-YLJYHZDGSA-N 1 1 366.530 4.358 20 30 FIEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000533596706 1099211379 /nfs/dbraw/zinc/21/13/79/1099211379.db2.gz PESZSGLUVMHRKG-KRWDZBQOSA-N 1 1 363.461 4.432 20 30 FIEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000533596706 1099211388 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N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](O)CC34CCC4)c2)c1 ZINC000516561167 1099595740 /nfs/dbraw/zinc/59/57/40/1099595740.db2.gz VTHTVSOEJWUWTK-NRFANRHFSA-N 1 1 362.473 4.017 20 30 FIEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000729810083 1099695478 /nfs/dbraw/zinc/69/54/78/1099695478.db2.gz SRJPFQIGVCTIRG-OWBBTNHHSA-N 1 1 369.461 4.069 20 30 FIEDMO C[C@]1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000162409979 1099720469 /nfs/dbraw/zinc/72/04/69/1099720469.db2.gz ZTDRZGFXCOERKH-HSZRJFAPSA-N 1 1 373.500 4.026 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C(C)(C)C)cc1 ZINC000506039776 1099830943 /nfs/dbraw/zinc/83/09/43/1099830943.db2.gz CGCMRIKRAHDBJD-UHFFFAOYSA-N 1 1 352.478 4.151 20 30 FIEDMO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437486090 1099948899 /nfs/dbraw/zinc/94/88/99/1099948899.db2.gz ODRHCGRYWVRKDY-SFHVURJKSA-N 1 1 367.424 4.303 20 30 FIEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437486090 1099948903 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FIEDMO C=CCOc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000506152420 1100262099 /nfs/dbraw/zinc/26/20/99/1100262099.db2.gz XGRMKRGBGUQAFT-UHFFFAOYSA-N 1 1 363.461 4.144 20 30 FIEDMO CC1(CC(F)(F)F)C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459643735 1100382087 /nfs/dbraw/zinc/38/20/87/1100382087.db2.gz VROBVNNJDYECAT-UHFFFAOYSA-N 1 1 362.399 4.238 20 30 FIEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000459658362 1100405848 /nfs/dbraw/zinc/40/58/48/1100405848.db2.gz PMJMHBZRCJEFBL-ZDUSSCGKSA-N 1 1 359.267 4.489 20 30 FIEDMO C[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453992 1100665672 /nfs/dbraw/zinc/66/56/72/1100665672.db2.gz INHFWGHMWUBERO-CVDCTZTESA-N 1 1 350.481 4.162 20 30 FIEDMO CC(C)(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000438591167 1100778709 /nfs/dbraw/zinc/77/87/09/1100778709.db2.gz ZQSKTBZBPRKIRN-UHFFFAOYSA-N 1 1 355.869 4.451 20 30 FIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)c2ccccc2n1 ZINC000383081729 1100852286 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367.518 4.128 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000475744635 1101569667 /nfs/dbraw/zinc/56/96/67/1101569667.db2.gz AFIYXQIMXAZICJ-YYIAUSFCSA-N 1 1 359.539 4.386 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000015301737 1101692988 /nfs/dbraw/zinc/69/29/88/1101692988.db2.gz JWIXZDXYXOFREX-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000015301737 1101692998 /nfs/dbraw/zinc/69/29/98/1101692998.db2.gz JWIXZDXYXOFREX-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO COCC[N@@H+](C)CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537406337 1101751659 /nfs/dbraw/zinc/75/16/59/1101751659.db2.gz GODDHUKZSKWNDT-HTAPYJJXSA-N 1 1 369.484 4.058 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001126675504 1102037827 /nfs/dbraw/zinc/03/78/27/1102037827.db2.gz ILPGFRRUQWDMMF-QGZVFWFLSA-N 1 1 367.518 4.076 20 30 FIEDMO 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N#Cc1cccc(COc2cccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)c2)c1 ZINC000130018026 1106985829 /nfs/dbraw/zinc/98/58/29/1106985829.db2.gz DPCABGJHHXKYIQ-OAQYLSRUSA-N 1 1 362.473 4.138 20 30 FIEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000451863473 1107351228 /nfs/dbraw/zinc/35/12/28/1107351228.db2.gz QVNQDRBKPKXEGG-NHCUHLMSSA-N 1 1 352.522 4.103 20 30 FIEDMO N#Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531321401 1107766655 /nfs/dbraw/zinc/76/66/55/1107766655.db2.gz MZSSKMUXUYNISU-HSZRJFAPSA-N 1 1 374.488 4.078 20 30 FIEDMO COc1cc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)c(SC)cc1OC ZINC000121428901 1107768826 /nfs/dbraw/zinc/76/88/26/1107768826.db2.gz BEFTXYXGQGDODR-UHFFFAOYSA-N 1 1 360.454 4.068 20 30 FIEDMO COc1cc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c(SC)cc1OC ZINC000121428901 1107768840 /nfs/dbraw/zinc/76/88/40/1107768840.db2.gz BEFTXYXGQGDODR-UHFFFAOYSA-N 1 1 360.454 4.068 20 30 FIEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000452725311 1107918424 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4.158 20 30 FIEDMO CC(C)[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000444700679 1108103474 /nfs/dbraw/zinc/10/34/74/1108103474.db2.gz GRVNGNPOBPDDCQ-QHCPKHFHSA-N 1 1 361.533 4.158 20 30 FIEDMO Cc1cc(C)cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000444700219 1108104360 /nfs/dbraw/zinc/10/43/60/1108104360.db2.gz FQKRTQJTOAWXOF-UHFFFAOYSA-N 1 1 367.518 4.186 20 30 FIEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000444773059 1108169381 /nfs/dbraw/zinc/16/93/81/1108169381.db2.gz QBMGFNJWRILAJX-SJORKVTESA-N 1 1 359.539 4.245 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC23CCC3)c1C#N ZINC000444795986 1108190082 /nfs/dbraw/zinc/19/00/82/1108190082.db2.gz ZALFERYUIRSJEA-UHFFFAOYSA-N 1 1 354.498 4.049 20 30 FIEDMO CCCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000523450205 1108233370 /nfs/dbraw/zinc/23/33/70/1108233370.db2.gz LZWBIWJZGFLVNG-WIYYLYMNSA-N 1 1 352.478 4.161 20 30 FIEDMO C=CC[C@@H]1N(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCC1(C)C 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FIEDMO CC(C)(C)OC(=O)CC[N@@H+](CCC1(C#N)CCCCC1)C1CCOCC1 ZINC000592131366 1115204636 /nfs/dbraw/zinc/20/46/36/1115204636.db2.gz ZOAXRRCJHHWUJL-UHFFFAOYSA-N 1 1 364.530 4.063 20 30 FIEDMO N#Cc1cccc(C2(N[C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365903 1115283318 /nfs/dbraw/zinc/28/33/18/1115283318.db2.gz GZQRJFIPJAJTIQ-QFIPXVFZSA-N 1 1 357.501 4.334 20 30 FIEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000593084280 1115296960 /nfs/dbraw/zinc/29/69/60/1115296960.db2.gz REJAOJHKKQTXJC-HXUWFJFHSA-N 1 1 356.510 4.193 20 30 FIEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530100 1115413746 /nfs/dbraw/zinc/41/37/46/1115413746.db2.gz PZPNYGXONBPKGW-JKSUJKDBSA-N 1 1 361.445 4.002 20 30 FIEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530100 1115413747 /nfs/dbraw/zinc/41/37/47/1115413747.db2.gz PZPNYGXONBPKGW-JKSUJKDBSA-N 1 1 361.445 4.002 20 30 FIEDMO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nnc2n1CCCCC2 ZINC000594503236 1115451625 /nfs/dbraw/zinc/45/16/25/1115451625.db2.gz SMKQUIHBOYGQSK-SFHVURJKSA-N 1 1 351.498 4.047 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc(C[C@@H](CC#N)c3ccccc3)n2)c1C ZINC000594535545 1115461843 /nfs/dbraw/zinc/46/18/43/1115461843.db2.gz YEOQDVYYBHZNSD-LJQANCHMSA-N 1 1 363.465 4.146 20 30 FIEDMO CC(C)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccnc2)no1 ZINC000594929095 1115490549 /nfs/dbraw/zinc/49/05/49/1115490549.db2.gz YQFGIPCEWYBOTN-IBGZPJMESA-N 1 1 373.460 4.174 20 30 FIEDMO N#CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000594996325 1115506252 /nfs/dbraw/zinc/50/62/52/1115506252.db2.gz YTXFRIJXPZPDDP-UHFFFAOYSA-N 1 1 371.488 4.498 20 30 FIEDMO N#Cc1cccc(C(=O)CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574877639 1115512427 /nfs/dbraw/zinc/51/24/27/1115512427.db2.gz RFPSPRMDLWSFET-FQEVSTJZSA-N 1 1 350.487 4.139 20 30 FIEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000595303656 1115524136 /nfs/dbraw/zinc/52/41/36/1115524136.db2.gz BGEZGALBISRBOA-HXUWFJFHSA-N 1 1 358.445 4.378 20 30 FIEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000595516902 1115540256 /nfs/dbraw/zinc/54/02/56/1115540256.db2.gz PKOKTYZYLPYJOX-AWEZNQCLSA-N 1 1 360.889 4.310 20 30 FIEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000595516902 1115540258 /nfs/dbraw/zinc/54/02/58/1115540258.db2.gz PKOKTYZYLPYJOX-AWEZNQCLSA-N 1 1 360.889 4.310 20 30 FIEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000595516902 1115540262 /nfs/dbraw/zinc/54/02/62/1115540262.db2.gz PKOKTYZYLPYJOX-AWEZNQCLSA-N 1 1 360.889 4.310 20 30 FIEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623421 1115551763 /nfs/dbraw/zinc/55/17/63/1115551763.db2.gz PBQKRJMDLLFYQN-KRWDZBQOSA-N 1 1 356.901 4.327 20 30 FIEDMO CC1(C)C[C@H]([N@@H+](CCCC2(C#N)CCOCC2)Cc2ccccc2)CO1 ZINC000595639403 1115554342 /nfs/dbraw/zinc/55/43/42/1115554342.db2.gz XMCLKXIPCQHORT-FQEVSTJZSA-N 1 1 356.510 4.157 20 30 FIEDMO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4ccccc4)o3)CCOCC2)c1 ZINC000595772566 1115559623 /nfs/dbraw/zinc/55/96/23/1115559623.db2.gz IZVAGOAOUFWSKH-UHFFFAOYSA-N 1 1 359.429 4.009 20 30 FIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc2C1 ZINC000060090419 1115582541 /nfs/dbraw/zinc/58/25/41/1115582541.db2.gz BXEOJVORUAJDEY-NRFANRHFSA-N 1 1 361.489 4.156 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596731219 1115610285 /nfs/dbraw/zinc/61/02/85/1115610285.db2.gz AJLAPHWOCOIDFX-CABCVRRESA-N 1 1 360.527 4.075 20 30 FIEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000761204075 1115624418 /nfs/dbraw/zinc/62/44/18/1115624418.db2.gz OGECYPWGZNXRPZ-ROUUACIJSA-N 1 1 356.853 4.326 20 30 FIEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000761204075 1115624420 /nfs/dbraw/zinc/62/44/20/1115624420.db2.gz OGECYPWGZNXRPZ-ROUUACIJSA-N 1 1 356.853 4.326 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977317 1115631021 /nfs/dbraw/zinc/63/10/21/1115631021.db2.gz JFQTXSAIFSXWFI-UHFFFAOYSA-N 1 1 361.489 4.401 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@H]3CNC(=O)c3ccccc3)cc2)CC1 ZINC000596992709 1115633870 /nfs/dbraw/zinc/63/38/70/1115633870.db2.gz FBHGAOYKPIOOQF-QFIPXVFZSA-N 1 1 373.500 4.026 20 30 FIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597031215 1115635201 /nfs/dbraw/zinc/63/52/01/1115635201.db2.gz WOFFGFMTTVCZNE-GOSISDBHSA-N 1 1 354.494 4.186 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597027901 1115635246 /nfs/dbraw/zinc/63/52/46/1115635246.db2.gz SWXZBXGYFKZDNI-YTFSRNRJSA-N 1 1 362.473 4.126 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597027901 1115635247 /nfs/dbraw/zinc/63/52/47/1115635247.db2.gz SWXZBXGYFKZDNI-YTFSRNRJSA-N 1 1 362.473 4.126 20 30 FIEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OCC(F)(F)F ZINC000597172499 1115644376 /nfs/dbraw/zinc/64/43/76/1115644376.db2.gz BECDNEORBWYDQL-AWEZNQCLSA-N 1 1 356.388 4.152 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(-c2ccncc2)n1 ZINC000597203075 1115649329 /nfs/dbraw/zinc/64/93/29/1115649329.db2.gz MLYOXUNIWKQAAL-FQEVSTJZSA-N 1 1 363.509 4.261 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000597228854 1115649562 /nfs/dbraw/zinc/64/95/62/1115649562.db2.gz PPHFRINIEPHGGO-JOCHJYFZSA-N 1 1 372.472 4.117 20 30 FIEDMO CC(C)C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[NH+](C)C ZINC000060974748 1115740211 /nfs/dbraw/zinc/74/02/11/1115740211.db2.gz OONVEIRQQDYOQK-QFIPXVFZSA-N 1 1 365.521 4.203 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)c1C ZINC000061039956 1115758203 /nfs/dbraw/zinc/75/82/03/1115758203.db2.gz WXKSDOBGUGSQMW-IBGZPJMESA-N 1 1 355.526 4.451 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489808823 1115783167 /nfs/dbraw/zinc/78/31/67/1115783167.db2.gz BOBDJFUPSWSGOT-PZJWPPBQSA-N 1 1 357.542 4.285 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000603681016 1115805976 /nfs/dbraw/zinc/80/59/76/1115805976.db2.gz BPWSCISCOWDEGM-HSZRJFAPSA-N 1 1 363.505 4.284 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000603681155 1115806202 /nfs/dbraw/zinc/80/62/02/1115806202.db2.gz MKHSZTDWSNOARE-IBGZPJMESA-N 1 1 363.505 4.265 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CCOCC1 ZINC000599316289 1115807075 /nfs/dbraw/zinc/80/70/75/1115807075.db2.gz PJUCMNGMQJKFKL-DLPCIYJJSA-N 1 1 368.521 4.016 20 30 FIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599343037 1115808680 /nfs/dbraw/zinc/80/86/80/1115808680.db2.gz MEEMAOXPHVNPTI-RTWAWAEBSA-N 1 1 356.510 4.018 20 30 FIEDMO Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599404838 1115813017 /nfs/dbraw/zinc/81/30/17/1115813017.db2.gz OECGNINXLOPZGH-VQTJNVASSA-N 1 1 358.526 4.085 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061285047 1115815362 /nfs/dbraw/zinc/81/53/62/1115815362.db2.gz BMZGAFKGAZYTDI-UHFFFAOYSA-N 1 1 368.502 4.053 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(Cl)c1 ZINC000603882097 1115825516 /nfs/dbraw/zinc/82/55/16/1115825516.db2.gz UPNFQXOHXNOXSB-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(Cl)c1 ZINC000603882097 1115825520 /nfs/dbraw/zinc/82/55/20/1115825520.db2.gz UPNFQXOHXNOXSB-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603890122 1115826508 /nfs/dbraw/zinc/82/65/08/1115826508.db2.gz QSGUNCAGBRHVMT-LJQANCHMSA-N 1 1 372.472 4.248 20 30 FIEDMO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000599636464 1115833302 /nfs/dbraw/zinc/83/33/02/1115833302.db2.gz OVMTYEJSSYSEAP-DOTOQJQBSA-N 1 1 365.315 4.195 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000604442794 1115864583 /nfs/dbraw/zinc/86/45/83/1115864583.db2.gz PSPFUJDJFCVPEC-UHFFFAOYSA-N 1 1 374.513 4.394 20 30 FIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521204 1115867057 /nfs/dbraw/zinc/86/70/57/1115867057.db2.gz CAWRBPHEJRMZNR-CVDCTZTESA-N 1 1 359.473 4.411 20 30 FIEDMO CSc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000604531876 1115869164 /nfs/dbraw/zinc/86/91/64/1115869164.db2.gz LEWFDEJXXBEDBF-UHFFFAOYSA-N 1 1 374.513 4.151 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605902501 1115920644 /nfs/dbraw/zinc/92/06/44/1115920644.db2.gz LGKCRVZLMBRJFY-VQTJNVASSA-N 1 1 355.478 4.365 20 30 FIEDMO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000062426791 1115926018 /nfs/dbraw/zinc/92/60/18/1115926018.db2.gz GUBKSSNVHNXUDW-JOCHJYFZSA-N 1 1 350.506 4.253 20 30 FIEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062426791 1115926019 /nfs/dbraw/zinc/92/60/19/1115926019.db2.gz GUBKSSNVHNXUDW-JOCHJYFZSA-N 1 1 350.506 4.253 20 30 FIEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426791 1115926021 /nfs/dbraw/zinc/92/60/21/1115926021.db2.gz GUBKSSNVHNXUDW-JOCHJYFZSA-N 1 1 350.506 4.253 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC000594034356 1115970013 /nfs/dbraw/zinc/97/00/13/1115970013.db2.gz BTCQEPKRPUHGGS-UHFFFAOYSA-N 1 1 350.315 4.375 20 30 FIEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000606920843 1115983545 /nfs/dbraw/zinc/98/35/45/1115983545.db2.gz MDGPRGZJBFBHIK-SFHVURJKSA-N 1 1 363.571 4.348 20 30 FIEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000172937243 1116008163 /nfs/dbraw/zinc/00/81/63/1116008163.db2.gz DVRXWWRHSQCOIY-VGSWGCGISA-N 1 1 371.488 4.208 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000173808275 1116090708 /nfs/dbraw/zinc/09/07/08/1116090708.db2.gz NYEIRBAXPXXPRV-HOTGVXAUSA-N 1 1 371.431 4.259 20 30 FIEDMO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1nc(C)cs1 ZINC000174060329 1116108957 /nfs/dbraw/zinc/10/89/57/1116108957.db2.gz GUVKCTQHXQJQOQ-SJLPKXTDSA-N 1 1 370.522 4.136 20 30 FIEDMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2OC)cc1C#N ZINC000174371307 1116131359 /nfs/dbraw/zinc/13/13/59/1116131359.db2.gz ZMHRMHZTHMQDEP-QHCPKHFHSA-N 1 1 358.441 4.455 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)C ZINC000608886400 1116135582 /nfs/dbraw/zinc/13/55/82/1116135582.db2.gz JKDPVJMDVVKCPA-UHFFFAOYSA-N 1 1 365.477 4.054 20 30 FIEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000594356606 1116143221 /nfs/dbraw/zinc/14/32/21/1116143221.db2.gz FNJKLXRQQRYBFP-AWEZNQCLSA-N 1 1 355.869 4.091 20 30 FIEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cc[nH+]c3C)sc2C1 ZINC000534804269 1116240001 /nfs/dbraw/zinc/24/00/01/1116240001.db2.gz CZSRTWPGKFTNKT-CQSZACIVSA-N 1 1 370.522 4.305 20 30 FIEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C[C@H](O)COc1cccc2ccccc21 ZINC000539569135 1116346105 /nfs/dbraw/zinc/34/61/05/1116346105.db2.gz NISJNULXFFLBDW-IBGZPJMESA-N 1 1 354.494 4.230 20 30 FIEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539700984 1116369176 /nfs/dbraw/zinc/36/91/76/1116369176.db2.gz WHSRCWZQSNQJDM-PKOBYXMFSA-N 1 1 352.881 4.475 20 30 FIEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539700984 1116369178 /nfs/dbraw/zinc/36/91/78/1116369178.db2.gz WHSRCWZQSNQJDM-PKOBYXMFSA-N 1 1 352.881 4.475 20 30 FIEDMO C=CC[N@H+](C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000540058658 1117848254 /nfs/dbraw/zinc/84/82/54/1117848254.db2.gz URDPJIWFCHKWEH-XZOQPEGZSA-N 1 1 351.490 4.112 20 30 FIEDMO N#Cc1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1F ZINC000540348620 1118005862 /nfs/dbraw/zinc/00/58/62/1118005862.db2.gz RFNKSZGPURZMFT-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO N#Cc1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1F ZINC000540348620 1118005865 /nfs/dbraw/zinc/00/58/65/1118005865.db2.gz RFNKSZGPURZMFT-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1C#N ZINC000540521212 1118105916 /nfs/dbraw/zinc/10/59/16/1118105916.db2.gz SWGSMDITRSZYGC-ORPRQENYSA-N 1 1 368.864 4.485 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c1C#N ZINC000540527278 1118108446 /nfs/dbraw/zinc/10/84/46/1118108446.db2.gz WLJFUWKTVYGFIV-HXUWFJFHSA-N 1 1 352.409 4.033 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463444167 1118158227 /nfs/dbraw/zinc/15/82/27/1118158227.db2.gz QPUDGNJHNATDBO-OLZOCXBDSA-N 1 1 359.417 4.001 20 30 FIEDMO C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000463661858 1118268354 /nfs/dbraw/zinc/26/83/54/1118268354.db2.gz HCDBLNUAIPQPTB-AEFFLSMTSA-N 1 1 364.449 4.179 20 30 FIEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541077813 1118372280 /nfs/dbraw/zinc/37/22/80/1118372280.db2.gz ZYSFLLVNAWNERB-OYHNWAKOSA-N 1 1 373.431 4.242 20 30 FIEDMO N#CCc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000541281246 1118450800 /nfs/dbraw/zinc/45/08/00/1118450800.db2.gz FFFAWDFSYAJGRS-UHFFFAOYSA-N 1 1 353.897 4.114 20 30 FIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000541283286 1118463036 /nfs/dbraw/zinc/46/30/36/1118463036.db2.gz ZJJJVIZUVKVOLD-RTBURBONSA-N 1 1 361.272 4.150 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2CC=CCC2)c1C#N ZINC000541314737 1118470987 /nfs/dbraw/zinc/47/09/87/1118470987.db2.gz LNVPGTVTPLAZFC-GOSISDBHSA-N 1 1 368.525 4.318 20 30 FIEDMO Cc1cccc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000541388365 1118498597 /nfs/dbraw/zinc/49/85/97/1118498597.db2.gz DBOHGFVMIBADOC-FPOVZHCZSA-N 1 1 361.489 4.120 20 30 FIEDMO C[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000541688665 1118606776 /nfs/dbraw/zinc/60/67/76/1118606776.db2.gz ZGGZSTAPNCRTQO-LLVKDONJSA-N 1 1 363.259 4.090 20 30 FIEDMO N#Cc1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000464578753 1118609529 /nfs/dbraw/zinc/60/95/29/1118609529.db2.gz PCBODPISOIYTNU-UHFFFAOYSA-N 1 1 350.462 4.008 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000464733564 1118667927 /nfs/dbraw/zinc/66/79/27/1118667927.db2.gz JQAGTUJSUWOXLJ-QRWLVFNGSA-N 1 1 351.425 4.109 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464764975 1118685720 /nfs/dbraw/zinc/68/57/20/1118685720.db2.gz JIRXKXJZAZWDQS-FDDCHVKYSA-N 1 1 363.505 4.401 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464830360 1118715249 /nfs/dbraw/zinc/71/52/49/1118715249.db2.gz ABLXNCZXPQMEOX-YJBOKZPZSA-N 1 1 354.450 4.320 20 30 FIEDMO CCC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000464843001 1118717900 /nfs/dbraw/zinc/71/79/00/1118717900.db2.gz OHXYBRDPLAVSTK-HXUWFJFHSA-N 1 1 359.539 4.339 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000542252888 1118862355 /nfs/dbraw/zinc/86/23/55/1118862355.db2.gz KPRONMKYOLXOAS-CVEARBPZSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000542252888 1118862360 /nfs/dbraw/zinc/86/23/60/1118862360.db2.gz KPRONMKYOLXOAS-CVEARBPZSA-N 1 1 359.539 4.387 20 30 FIEDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCCC#N)n1 ZINC000542259517 1118873094 /nfs/dbraw/zinc/87/30/94/1118873094.db2.gz QMXJKVDQIXXFKY-UHFFFAOYSA-N 1 1 351.479 4.136 20 30 FIEDMO O[C@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658758 1118955620 /nfs/dbraw/zinc/95/56/20/1118955620.db2.gz DORWRLDIZRVWMQ-QZTJIDSGSA-N 1 1 363.379 4.238 20 30 FIEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000151658831 1118955863 /nfs/dbraw/zinc/95/58/63/1118955863.db2.gz DORWRLDIZRVWMQ-MSOLQXFVSA-N 1 1 363.379 4.238 20 30 FIEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000443792775 1118959484 /nfs/dbraw/zinc/95/94/84/1118959484.db2.gz VHGSBDTZPGSZFH-IEGUWTFLSA-N 1 1 364.489 4.119 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)s2)c(-c2ccc(C#N)cc2)n1 ZINC000491940523 1118995205 /nfs/dbraw/zinc/99/52/05/1118995205.db2.gz NWCWCMNZTUHXJT-UHFFFAOYSA-N 1 1 356.882 4.306 20 30 FIEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-c4ccccc4)cc3F)n2c1 ZINC000492296687 1119065877 /nfs/dbraw/zinc/06/58/77/1119065877.db2.gz SSVQUXWJJCYAGS-UHFFFAOYSA-N 1 1 356.404 4.302 20 30 FIEDMO FC(F)(F)c1ccn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000492442850 1119093390 /nfs/dbraw/zinc/09/33/90/1119093390.db2.gz HFGQAGSEKLRHSM-UHFFFAOYSA-N 1 1 367.802 4.244 20 30 FIEDMO CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CCCCO1 ZINC000174852499 1119156804 /nfs/dbraw/zinc/15/68/04/1119156804.db2.gz VJMMVQDSMBAGBV-SFHVURJKSA-N 1 1 367.493 4.019 20 30 FIEDMO CCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CCCCO1 ZINC000174852499 1119156805 /nfs/dbraw/zinc/15/68/05/1119156805.db2.gz VJMMVQDSMBAGBV-SFHVURJKSA-N 1 1 367.493 4.019 20 30 FIEDMO CC(C)(C)OC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492791026 1119189228 /nfs/dbraw/zinc/18/92/28/1119189228.db2.gz QUWXPGVQSHKYNA-UHFFFAOYSA-N 1 1 351.288 4.100 20 30 FIEDMO N#CCC[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000130505890 1119469543 /nfs/dbraw/zinc/46/95/43/1119469543.db2.gz ULGKRXDWEWISCX-QHCPKHFHSA-N 1 1 363.505 4.296 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494136047 1119545711 /nfs/dbraw/zinc/54/57/11/1119545711.db2.gz JEDVQJVLSLVZNH-INIZCTEOSA-N 1 1 367.518 4.265 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182894602 1119562566 /nfs/dbraw/zinc/56/25/66/1119562566.db2.gz WZADGGZYXVIAQA-IAGOWNOFSA-N 1 1 357.498 4.026 20 30 FIEDMO C[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101346 1119566090 /nfs/dbraw/zinc/56/60/90/1119566090.db2.gz LFFCNADOJMSPHL-ICSRJNTNSA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101346 1119566096 /nfs/dbraw/zinc/56/60/96/1119566096.db2.gz LFFCNADOJMSPHL-ICSRJNTNSA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000184973579 1119632778 /nfs/dbraw/zinc/63/27/78/1119632778.db2.gz JEENUCIZHBXBOM-SFHVURJKSA-N 1 1 369.534 4.309 20 30 FIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186693585 1119744260 /nfs/dbraw/zinc/74/42/60/1119744260.db2.gz BFQLALPONBXHOG-FQEVSTJZSA-N 1 1 373.374 4.068 20 30 FIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186693585 1119744263 /nfs/dbraw/zinc/74/42/63/1119744263.db2.gz BFQLALPONBXHOG-FQEVSTJZSA-N 1 1 373.374 4.068 20 30 FIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)c2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000187374180 1119779893 /nfs/dbraw/zinc/77/98/93/1119779893.db2.gz QVEOKMWWEYCLEN-LJQANCHMSA-N 1 1 361.388 4.152 20 30 FIEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000188820065 1119797149 /nfs/dbraw/zinc/79/71/49/1119797149.db2.gz SOICDCQHVAPUAD-NQIIRXRSSA-N 1 1 368.546 4.436 20 30 FIEDMO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000188820084 1119797294 /nfs/dbraw/zinc/79/72/94/1119797294.db2.gz SOICDCQHVAPUAD-WIYYLYMNSA-N 1 1 368.546 4.436 20 30 FIEDMO C#Cc1cccc(NC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174784985 1119861427 /nfs/dbraw/zinc/86/14/27/1119861427.db2.gz SJVVPZWPOVAYGE-NRFANRHFSA-N 1 1 361.489 4.044 20 30 FIEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000190438052 1119937466 /nfs/dbraw/zinc/93/74/66/1119937466.db2.gz ONJZKORZPVNVIA-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000190443398 1119937928 /nfs/dbraw/zinc/93/79/28/1119937928.db2.gz GHZJABYWLAMVPQ-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO C=CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000914446922 1120094344 /nfs/dbraw/zinc/09/43/44/1120094344.db2.gz FIGVTMGBAGSRBI-RBBKRZOGSA-N 1 1 362.473 4.008 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000465465703 1120427509 /nfs/dbraw/zinc/42/75/09/1120427509.db2.gz LNKUIFNSVHRCRQ-MRXNPFEDSA-N 1 1 361.445 4.237 20 30 FIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(OC)c2)c1C ZINC000914695347 1120474576 /nfs/dbraw/zinc/47/45/76/1120474576.db2.gz QMBYTBPRGOOWHQ-HXUWFJFHSA-N 1 1 354.498 4.044 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000495200175 1120538913 /nfs/dbraw/zinc/53/89/13/1120538913.db2.gz IBCVYAHBTWQRIK-UHFFFAOYSA-N 1 1 360.461 4.287 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000761972958 1120612190 /nfs/dbraw/zinc/61/21/90/1120612190.db2.gz GJNDMHDULRBCGN-OAHLLOKOSA-N 1 1 357.523 4.477 20 30 FIEDMO C#CCOc1ccccc1-c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000761989864 1120636968 /nfs/dbraw/zinc/63/69/68/1120636968.db2.gz OPHHZLKMHXCLRR-LJQANCHMSA-N 1 1 373.456 4.128 20 30 FIEDMO C=C[C@@H](CC)CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127337307 1120714817 /nfs/dbraw/zinc/71/48/17/1120714817.db2.gz LFILVUIWWHFNPS-AZUAARDMSA-N 1 1 366.509 4.179 20 30 FIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccn21 ZINC000762602094 1120938381 /nfs/dbraw/zinc/93/83/81/1120938381.db2.gz CYRQLZSUODWPRO-MDZDMXLPSA-N 1 1 359.429 4.239 20 30 FIEDMO C#Cc1cccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762937909 1121004027 /nfs/dbraw/zinc/00/40/27/1121004027.db2.gz WNGXIMPYARKZHI-UHFFFAOYSA-N 1 1 373.500 4.188 20 30 FIEDMO Cc1ccc(-n2cc(C[NH2+]Cc3ccc(C#N)cn3)c(C(C)(C)C)n2)cc1 ZINC000780554004 1121031410 /nfs/dbraw/zinc/03/14/10/1121031410.db2.gz HYHHEESAOXCHAQ-UHFFFAOYSA-N 1 1 359.477 4.035 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)C2CCCCC2)c1=S ZINC000915793255 1121060141 /nfs/dbraw/zinc/06/01/41/1121060141.db2.gz LPRBCNLYJKTWMU-UHFFFAOYSA-N 1 1 357.527 4.274 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)C2CCCCC2)c1=S ZINC000915793255 1121060148 /nfs/dbraw/zinc/06/01/48/1121060148.db2.gz LPRBCNLYJKTWMU-UHFFFAOYSA-N 1 1 357.527 4.274 20 30 FIEDMO C=CCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1-c1cccc(C)c1 ZINC000255934551 1121173371 /nfs/dbraw/zinc/17/33/71/1121173371.db2.gz SPGGARYSQDJTDX-SFHVURJKSA-N 1 1 356.539 4.406 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000032800379 1121467015 /nfs/dbraw/zinc/46/70/15/1121467015.db2.gz NEXLPZXIQXGSOE-STQMWFEESA-N 1 1 368.308 4.375 20 30 FIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000916638255 1121588485 /nfs/dbraw/zinc/58/84/85/1121588485.db2.gz CKGOIMHYXQTBQD-FSSWDIPSSA-N 1 1 374.488 4.090 20 30 FIEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000112543022 1121965945 /nfs/dbraw/zinc/96/59/45/1121965945.db2.gz HMBBGJVMHHABCE-FUHWJXTLSA-N 1 1 351.425 4.499 20 30 FIEDMO C=CC[N@@H+](C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C(C)C ZINC000917069751 1122075569 /nfs/dbraw/zinc/07/55/69/1122075569.db2.gz UMQOSNAZWAAGNR-XZOQPEGZSA-N 1 1 353.506 4.358 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154282871 1122152933 /nfs/dbraw/zinc/15/29/33/1122152933.db2.gz UMPMEVZAVHSUMC-OAHLLOKOSA-N 1 1 351.406 4.050 20 30 FIEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000917125197 1122168731 /nfs/dbraw/zinc/16/87/31/1122168731.db2.gz USXAFHYLVIRYCI-APWZRJJASA-N 1 1 370.456 4.225 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCCCC3)CC2)c(C#N)c1C ZINC000917134009 1122190857 /nfs/dbraw/zinc/19/08/57/1122190857.db2.gz LUVMVFUKSPAHKC-OAHLLOKOSA-N 1 1 357.498 4.387 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594123 1122302599 /nfs/dbraw/zinc/30/25/99/1122302599.db2.gz QKGINSUQURTSMK-FDDCHVKYSA-N 1 1 363.505 4.455 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000128570972 1122347432 /nfs/dbraw/zinc/34/74/32/1122347432.db2.gz UIBMXTWWUBJCMV-IBGZPJMESA-N 1 1 365.477 4.016 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000154708612 1122618907 /nfs/dbraw/zinc/61/89/07/1122618907.db2.gz FEYJDYIPDGVDSX-QGZVFWFLSA-N 1 1 362.429 4.478 20 30 FIEDMO COc1ccc([C@H](CCC#N)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000556064248 1122636028 /nfs/dbraw/zinc/63/60/28/1122636028.db2.gz YKLRSAILINIAPL-QHCPKHFHSA-N 1 1 363.505 4.078 20 30 FIEDMO COc1ccc([C@H](CCC#N)[NH2+]CCCN2CCc3ccccc3C2)cc1 ZINC000556064248 1122636029 /nfs/dbraw/zinc/63/60/29/1122636029.db2.gz YKLRSAILINIAPL-QHCPKHFHSA-N 1 1 363.505 4.078 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000130118441 1122753798 /nfs/dbraw/zinc/75/37/98/1122753798.db2.gz JBYZKPAYDKQIMG-GOSISDBHSA-N 1 1 355.507 4.381 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000130118441 1122753800 /nfs/dbraw/zinc/75/38/00/1122753800.db2.gz JBYZKPAYDKQIMG-GOSISDBHSA-N 1 1 355.507 4.381 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1OCCCC#N ZINC000130470657 1122851063 /nfs/dbraw/zinc/85/10/63/1122851063.db2.gz YAFTYYBAUNMMSU-UHFFFAOYSA-N 1 1 360.404 4.288 20 30 FIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130634656 1122891358 /nfs/dbraw/zinc/89/13/58/1122891358.db2.gz HNMYUTUVULGCLT-GCJKJVERSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130634656 1122891364 /nfs/dbraw/zinc/89/13/64/1122891364.db2.gz HNMYUTUVULGCLT-GCJKJVERSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCCC2)C1 ZINC000072030224 1122969643 /nfs/dbraw/zinc/96/96/43/1122969643.db2.gz UFYWTGYIKXDIRS-KDURUIRLSA-N 1 1 367.537 4.255 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1C ZINC000072561952 1123088498 /nfs/dbraw/zinc/08/84/98/1123088498.db2.gz QTTUSQQMONDKTL-UHFFFAOYSA-N 1 1 353.491 4.071 20 30 FIEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072667035 1123117465 /nfs/dbraw/zinc/11/74/65/1123117465.db2.gz UPQYTCYPIAINFK-KRWDZBQOSA-N 1 1 367.518 4.112 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000556902475 1123183642 /nfs/dbraw/zinc/18/36/42/1123183642.db2.gz PHXSDRMNVZHRRW-ZDUSSCGKSA-N 1 1 364.836 4.197 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000557027864 1123321203 /nfs/dbraw/zinc/32/12/03/1123321203.db2.gz KMABTGFEMSVWIY-UHFFFAOYSA-N 1 1 368.440 4.430 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000557029215 1123323794 /nfs/dbraw/zinc/32/37/94/1123323794.db2.gz YNNBDDZROCGJCH-INIZCTEOSA-N 1 1 372.900 4.280 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C/c2cc(Br)ccc2O)C1 ZINC000920173661 1123403421 /nfs/dbraw/zinc/40/34/21/1123403421.db2.gz DPROGGHAQOLADH-ROTSCOARSA-N 1 1 373.294 4.409 20 30 FIEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000921197647 1123578353 /nfs/dbraw/zinc/57/83/53/1123578353.db2.gz SZNSOLHNZWITOX-UHFFFAOYSA-N 1 1 364.670 4.404 20 30 FIEDMO COc1ccc(COCC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000609388534 1123699990 /nfs/dbraw/zinc/69/99/90/1123699990.db2.gz WRJBAAIPGJPSRT-UHFFFAOYSA-N 1 1 352.478 4.242 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000064349159 1123705834 /nfs/dbraw/zinc/70/58/34/1123705834.db2.gz FDJXWKSAYBVXFF-CYBMUJFWSA-N 1 1 353.447 4.388 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000064349159 1123705843 /nfs/dbraw/zinc/70/58/43/1123705843.db2.gz FDJXWKSAYBVXFF-CYBMUJFWSA-N 1 1 353.447 4.388 20 30 FIEDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C#N)cc1 ZINC000609598463 1123769577 /nfs/dbraw/zinc/76/95/77/1123769577.db2.gz LMZFLYYTBSPSDG-ZDUSSCGKSA-N 1 1 364.430 4.441 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000609766705 1123837176 /nfs/dbraw/zinc/83/71/76/1123837176.db2.gz GLUISKTYETYZOS-ICSRJNTNSA-N 1 1 361.917 4.312 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000609766705 1123837182 /nfs/dbraw/zinc/83/71/82/1123837182.db2.gz GLUISKTYETYZOS-ICSRJNTNSA-N 1 1 361.917 4.312 20 30 FIEDMO N#Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2ccccc12 ZINC000609893373 1123881740 /nfs/dbraw/zinc/88/17/40/1123881740.db2.gz KNGBOIJSWIRXBQ-SEJPIABJSA-N 1 1 368.484 4.136 20 30 FIEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000610133143 1123950175 /nfs/dbraw/zinc/95/01/75/1123950175.db2.gz ULVOYKDESWBNSD-LJQANCHMSA-N 1 1 366.461 4.181 20 30 FIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179800527 1124080065 /nfs/dbraw/zinc/08/00/65/1124080065.db2.gz MRWYTPCAAOZZRQ-APPDUMDISA-N 1 1 361.392 4.114 20 30 FIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000179796618 1124081228 /nfs/dbraw/zinc/08/12/28/1124081228.db2.gz QJLCELAJCDXQFL-YWZLYKJASA-N 1 1 371.431 4.341 20 30 FIEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301183078 1124201046 /nfs/dbraw/zinc/20/10/46/1124201046.db2.gz RDPWZZVGZAXQPU-ZDUSSCGKSA-N 1 1 361.276 4.143 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301304118 1124214338 /nfs/dbraw/zinc/21/43/38/1124214338.db2.gz XBWBIUQWHOWLDM-QFBILLFUSA-N 1 1 374.410 4.467 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)cn1 ZINC000301355912 1124220563 /nfs/dbraw/zinc/22/05/63/1124220563.db2.gz KJZZNLYUSFJTGE-UHFFFAOYSA-N 1 1 374.835 4.261 20 30 FIEDMO N#Cc1ccc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cn1 ZINC000301530884 1124240207 /nfs/dbraw/zinc/24/02/07/1124240207.db2.gz RWKUBAAJFXTCKE-HXUWFJFHSA-N 1 1 360.486 4.226 20 30 FIEDMO C[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000301617103 1124246573 /nfs/dbraw/zinc/24/65/73/1124246573.db2.gz KEUPMQDLPFALJS-XJKSGUPXSA-N 1 1 360.383 4.047 20 30 FIEDMO N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1Cl ZINC000301713123 1124254320 /nfs/dbraw/zinc/25/43/20/1124254320.db2.gz LMJVRDJOXPAQLG-YLJYHZDGSA-N 1 1 366.896 4.098 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2nc3c(cc2C#N)CCCC3)[C@@H]1c1cccs1 ZINC000301901807 1124269567 /nfs/dbraw/zinc/26/95/67/1124269567.db2.gz VWEQZBVIGCIBIN-OXQOHEQNSA-N 1 1 366.534 4.389 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000302030467 1124279168 /nfs/dbraw/zinc/27/91/68/1124279168.db2.gz MZBHRLYGXJJUCR-UHFFFAOYSA-N 1 1 367.880 4.491 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000302111402 1124285294 /nfs/dbraw/zinc/28/52/94/1124285294.db2.gz PRXXTHZVABSPAU-XZOQPEGZSA-N 1 1 373.500 4.252 20 30 FIEDMO Cc1ccc2nccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000302178462 1124291113 /nfs/dbraw/zinc/29/11/13/1124291113.db2.gz YGHWBSTXDZMEBA-UHFFFAOYSA-N 1 1 356.473 4.127 20 30 FIEDMO Cc1ccc2nccc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000302178462 1124291119 /nfs/dbraw/zinc/29/11/19/1124291119.db2.gz YGHWBSTXDZMEBA-UHFFFAOYSA-N 1 1 356.473 4.127 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000302207175 1124294810 /nfs/dbraw/zinc/29/48/10/1124294810.db2.gz XCMFDBMHJBKRBD-ACJLOTCBSA-N 1 1 356.451 4.023 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000302205400 1124294822 /nfs/dbraw/zinc/29/48/22/1124294822.db2.gz VWAKRBLALBHXMX-AWEZNQCLSA-N 1 1 370.840 4.003 20 30 FIEDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(O[C@@H]2CCOC2)c1 ZINC000542834724 1124421743 /nfs/dbraw/zinc/42/17/43/1124421743.db2.gz WOTAGBFFOWWQCA-CRAIPNDOSA-N 1 1 354.425 4.024 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000617214884 1124476903 /nfs/dbraw/zinc/47/69/03/1124476903.db2.gz LRTKGMKXQRTHGY-UHFFFAOYSA-N 1 1 356.267 4.095 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000617196441 1124481022 /nfs/dbraw/zinc/48/10/22/1124481022.db2.gz JNZZLDHCGVXTNT-IBGZPJMESA-N 1 1 371.278 4.284 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000617196441 1124481028 /nfs/dbraw/zinc/48/10/28/1124481028.db2.gz JNZZLDHCGVXTNT-IBGZPJMESA-N 1 1 371.278 4.284 20 30 FIEDMO Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(CC#N)CC3)cc2)c1 ZINC000542879417 1124549191 /nfs/dbraw/zinc/54/91/91/1124549191.db2.gz HYGFEANROCPWOT-UHFFFAOYSA-N 1 1 363.461 4.352 20 30 FIEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247534491 1124714342 /nfs/dbraw/zinc/71/43/42/1124714342.db2.gz XWKALQNRNWJOFY-IAGOWNOFSA-N 1 1 374.554 4.467 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248440222 1124769128 /nfs/dbraw/zinc/76/91/28/1124769128.db2.gz UPYJWQVFYQRVLG-SFNKJDCFSA-N 1 1 371.550 4.387 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000248440220 1124769690 /nfs/dbraw/zinc/76/96/90/1124769690.db2.gz UPYJWQVFYQRVLG-NTDBWNAOSA-N 1 1 371.550 4.387 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1 ZINC001212325301 1124772174 /nfs/dbraw/zinc/77/21/74/1124772174.db2.gz NBDGWPFDZQJOPS-SFHVURJKSA-N 1 1 351.381 4.471 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001212325336 1124772628 /nfs/dbraw/zinc/77/26/28/1124772628.db2.gz OZIOWUGHCYMAGW-NSHDSACASA-N 1 1 359.735 4.092 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000253309364 1124917114 /nfs/dbraw/zinc/91/71/14/1124917114.db2.gz DOFFVGNODAIBSV-HKUYNNGSSA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000253309364 1124917118 /nfs/dbraw/zinc/91/71/18/1124917118.db2.gz DOFFVGNODAIBSV-HKUYNNGSSA-N 1 1 368.868 4.087 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000250689616 1124925747 /nfs/dbraw/zinc/92/57/47/1124925747.db2.gz JAQFJPUIARPTIJ-HXOBKFHXSA-N 1 1 363.505 4.420 20 30 FIEDMO C=CC1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000111727846 1124927207 /nfs/dbraw/zinc/92/72/07/1124927207.db2.gz FYKOUCIDIXMOMQ-UHFFFAOYSA-N 1 1 352.482 4.485 20 30 FIEDMO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618593461 1125212183 /nfs/dbraw/zinc/21/21/83/1125212183.db2.gz DQAYVBABRITJGO-OKILXGFUSA-N 1 1 350.306 4.429 20 30 FIEDMO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618593461 1125212185 /nfs/dbraw/zinc/21/21/85/1125212185.db2.gz DQAYVBABRITJGO-OKILXGFUSA-N 1 1 350.306 4.429 20 30 FIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000619073734 1125451173 /nfs/dbraw/zinc/45/11/73/1125451173.db2.gz WKOAVPISTJEVEJ-JOCHJYFZSA-N 1 1 371.488 4.368 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000603441968 568101593 /nfs/dbraw/zinc/10/15/93/568101593.db2.gz NIICNKPFJGBSIT-UHFFFAOYSA-N 1 1 365.502 4.120 20 30 FIEDMO CC[C@@H](C[N@@H+](CC)CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000481746715 568107298 /nfs/dbraw/zinc/10/72/98/568107298.db2.gz SXWSEEUAELQVLZ-INIZCTEOSA-N 1 1 355.507 4.464 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000159317858 568131215 /nfs/dbraw/zinc/13/12/15/568131215.db2.gz UBQSYQQODOTZTM-HNNXBMFYSA-N 1 1 362.433 4.200 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000159317858 568131216 /nfs/dbraw/zinc/13/12/16/568131216.db2.gz UBQSYQQODOTZTM-HNNXBMFYSA-N 1 1 362.433 4.200 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303637142 568268109 /nfs/dbraw/zinc/26/81/09/568268109.db2.gz ZYVOSIXGOJBAEN-XMSQKQJNSA-N 1 1 369.484 4.283 20 30 FIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2C1 ZINC000563145733 568295122 /nfs/dbraw/zinc/29/51/22/568295122.db2.gz VDWAGJJTMUMKFL-JOCHJYFZSA-N 1 1 351.494 4.461 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000390842164 568316287 /nfs/dbraw/zinc/31/62/87/568316287.db2.gz DJPDWPPCRUHABL-FQEVSTJZSA-N 1 1 364.449 4.179 20 30 FIEDMO COc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1OC(C)C ZINC000569649922 568407204 /nfs/dbraw/zinc/40/72/04/568407204.db2.gz DRNBRTOYRMDGBX-UHFFFAOYSA-N 1 1 368.477 4.003 20 30 FIEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569634668 568411474 /nfs/dbraw/zinc/41/14/74/568411474.db2.gz XIHUJGIKEAJVHT-UHFFFAOYSA-N 1 1 364.415 4.248 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c(C(F)(F)F)c1 ZINC000569895773 568434598 /nfs/dbraw/zinc/43/45/98/568434598.db2.gz SPUHRFLJGRLUNY-KRWDZBQOSA-N 1 1 370.378 4.374 20 30 FIEDMO C=CC[NH+]1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC001165032450 721870342 /nfs/dbraw/zinc/87/03/42/721870342.db2.gz SRLFZTSYISLSHG-UHFFFAOYSA-N 1 1 356.520 4.036 20 30 FIEDMO CCN(CCC#N)c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001165048503 721987686 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Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1C ZINC000179653719 1080226607 /nfs/dbraw/zinc/22/66/07/1080226607.db2.gz PMCSWAHJVKPSCA-UHFFFAOYSA-N 1 1 365.477 4.057 20 30 FIEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1C ZINC000179653719 1080226616 /nfs/dbraw/zinc/22/66/16/1080226616.db2.gz PMCSWAHJVKPSCA-UHFFFAOYSA-N 1 1 365.477 4.057 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180490036 1080504039 /nfs/dbraw/zinc/50/40/39/1080504039.db2.gz TYFITXMURVVQLO-QHCPKHFHSA-N 1 1 350.506 4.415 20 30 FIEDMO C=CCCCCCCC[N@@H+]1CCC[C@]2(C[C@H](N(C)c3ncccn3)CO2)C1 ZINC001209439473 1080693842 /nfs/dbraw/zinc/69/38/42/1080693842.db2.gz QXYQOVNIUUZEPN-UNMCSNQZSA-N 1 1 372.557 4.063 20 30 FIEDMO C=CCCCCCCC[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001209439601 1080694389 /nfs/dbraw/zinc/69/43/89/1080694389.db2.gz UFKMQXGVDGCUMZ-UHFFFAOYSA-N 1 1 350.510 4.466 20 30 FIEDMO C=CCCCCCCC[N@H+]1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001209442158 1080700462 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C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000160798534 1082360025 /nfs/dbraw/zinc/36/00/25/1082360025.db2.gz GDTUODPHPMFOAC-CQSZACIVSA-N 1 1 359.267 4.372 20 30 FIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000156930517 1082390187 /nfs/dbraw/zinc/39/01/87/1082390187.db2.gz CIQQVVITZVHPMA-LAUBAEHRSA-N 1 1 351.469 4.182 20 30 FIEDMO COCCC[N@@H+]1Cc2cccc(N=Cc3cc4ccccc4[nH]c3=O)c2C1 ZINC000255304641 1082568890 /nfs/dbraw/zinc/56/88/90/1082568890.db2.gz PXZVZOLREHTBSD-UHFFFAOYSA-N 1 1 361.445 4.043 20 30 FIEDMO COCCC[N@H+]1Cc2cccc(N=Cc3cc4ccccc4[nH]c3=O)c2C1 ZINC000255304641 1082568894 /nfs/dbraw/zinc/56/88/94/1082568894.db2.gz PXZVZOLREHTBSD-UHFFFAOYSA-N 1 1 361.445 4.043 20 30 FIEDMO N#Cc1cccc(OCCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000477151036 1082730825 /nfs/dbraw/zinc/73/08/25/1082730825.db2.gz MWAQVPTUAXUMOZ-LJQANCHMSA-N 1 1 356.491 4.070 20 30 FIEDMO C[NH+](C)[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000581674952 1082789424 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374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000548306374 1082991443 /nfs/dbraw/zinc/99/14/43/1082991443.db2.gz WMZVJURYNAULEM-MSOLQXFVSA-N 1 1 374.271 4.040 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000581899826 1082998324 /nfs/dbraw/zinc/99/83/24/1082998324.db2.gz HGPLIVLLBWMNKM-QFIPXVFZSA-N 1 1 362.473 4.017 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510631192 1083212370 /nfs/dbraw/zinc/21/23/70/1083212370.db2.gz ROTCWCPZEGFLMR-OAQYLSRUSA-N 1 1 369.553 4.310 20 30 FIEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000101654085 1083340167 /nfs/dbraw/zinc/34/01/67/1083340167.db2.gz CPSBLRZLHHULAQ-UHFFFAOYSA-N 1 1 360.417 4.274 20 30 FIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092150030 1083357993 /nfs/dbraw/zinc/35/79/93/1083357993.db2.gz ULIQYVKRPGMCDL-UHFFFAOYSA-N 1 1 362.452 4.277 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000092436563 1083406506 /nfs/dbraw/zinc/40/65/06/1083406506.db2.gz LIOAMEPOMLXSDQ-NRFANRHFSA-N 1 1 354.450 4.143 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000092436563 1083406512 /nfs/dbraw/zinc/40/65/12/1083406512.db2.gz LIOAMEPOMLXSDQ-NRFANRHFSA-N 1 1 354.450 4.143 20 30 FIEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000016338898 1083408766 /nfs/dbraw/zinc/40/87/66/1083408766.db2.gz STIWGEAOQBQEMF-OAQYLSRUSA-N 1 1 356.897 4.444 20 30 FIEDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000728604358 1083441044 /nfs/dbraw/zinc/44/10/44/1083441044.db2.gz REWCQPKNQRVIQP-UHFFFAOYSA-N 1 1 374.444 4.100 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000581995590 1083445224 /nfs/dbraw/zinc/44/52/24/1083445224.db2.gz RHUPWQRBHUQZHM-UHFFFAOYSA-N 1 1 367.468 4.221 20 30 FIEDMO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1cccc(C#N)c1 ZINC000610760312 1083458250 /nfs/dbraw/zinc/45/82/50/1083458250.db2.gz AFSNCWJHBQTCNM-GFCCVEGCSA-N 1 1 358.367 4.315 20 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Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC2CC2)C(C)C)c1C#N ZINC000533036838 1098702144 /nfs/dbraw/zinc/70/21/44/1098702144.db2.gz MJZNEWJMOCDMDI-UHFFFAOYSA-N 1 1 356.514 4.151 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000664521595 1098711854 /nfs/dbraw/zinc/71/18/54/1098711854.db2.gz YDIJTDDOAJYYGB-JKLQHZFJSA-N 1 1 367.537 4.180 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000664521607 1098712715 /nfs/dbraw/zinc/71/27/15/1098712715.db2.gz YDIJTDDOAJYYGB-ZDFPQIBNSA-N 1 1 367.537 4.180 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454760735 1098747462 /nfs/dbraw/zinc/74/74/62/1098747462.db2.gz MRADVXCPSYBXCG-HNNXBMFYSA-N 1 1 360.527 4.077 20 30 FIEDMO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC000533147843 1098819635 /nfs/dbraw/zinc/81/96/35/1098819635.db2.gz ZOJRUZNSXGRXEG-NRFANRHFSA-N 1 1 370.518 4.195 20 30 FIEDMO Cc1ccccc1C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 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374.444 4.032 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000439432649 1101431872 /nfs/dbraw/zinc/43/18/72/1101431872.db2.gz UULIHBDCUWYFAP-HNNXBMFYSA-N 1 1 350.853 4.307 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)c(F)c1 ZINC000190970961 1101726779 /nfs/dbraw/zinc/72/67/79/1101726779.db2.gz UKHWRDGMBMPHOO-UHFFFAOYSA-N 1 1 359.651 4.465 20 30 FIEDMO N#Cc1cccc([C@@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC001168163264 1101731513 /nfs/dbraw/zinc/73/15/13/1101731513.db2.gz JFUUFZYQYZHAKT-QFIPXVFZSA-N 1 1 352.453 4.218 20 30 FIEDMO COc1cccc2c(NCc3nc(-c4cccc(C#N)c4)c[nH]3)cc(C)[nH+]c12 ZINC000537410963 1101757300 /nfs/dbraw/zinc/75/73/00/1101757300.db2.gz OFRYVFGOCZKVTB-UHFFFAOYSA-N 1 1 369.428 4.426 20 30 FIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000519026486 1101844138 /nfs/dbraw/zinc/84/41/38/1101844138.db2.gz OANIBIPCYDEZQU-UHFFFAOYSA-N 1 1 365.408 4.001 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000519026486 1101844156 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357.542 4.215 20 30 FIEDMO COC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccco1 ZINC000193117122 1107949367 /nfs/dbraw/zinc/94/93/67/1107949367.db2.gz ARTHGDNCRHCYLE-NRFANRHFSA-N 1 1 360.457 4.457 20 30 FIEDMO CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000444655285 1108053190 /nfs/dbraw/zinc/05/31/90/1108053190.db2.gz SVGJKGFZRCXRNK-QHCPKHFHSA-N 1 1 359.517 4.055 20 30 FIEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000444655285 1108053207 /nfs/dbraw/zinc/05/32/07/1108053207.db2.gz SVGJKGFZRCXRNK-QHCPKHFHSA-N 1 1 359.517 4.055 20 30 FIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000444655285 1108053222 /nfs/dbraw/zinc/05/32/22/1108053222.db2.gz SVGJKGFZRCXRNK-QHCPKHFHSA-N 1 1 359.517 4.055 20 30 FIEDMO CCN1CCC([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444642726 1108059712 /nfs/dbraw/zinc/05/97/12/1108059712.db2.gz SFUZZGMGJFXZJU-UHFFFAOYSA-N 1 1 361.533 4.302 20 30 FIEDMO CCN1CCC([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 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C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000446764982 1109332493 /nfs/dbraw/zinc/33/24/93/1109332493.db2.gz MBYICNHNMQUGSQ-HXUWFJFHSA-N 1 1 374.406 4.169 20 30 FIEDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000446764442 1109332702 /nfs/dbraw/zinc/33/27/02/1109332702.db2.gz HOCDEGCLAKEURT-UHFFFAOYSA-N 1 1 355.840 4.426 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000525421956 1109384142 /nfs/dbraw/zinc/38/41/42/1109384142.db2.gz BLUDEJZKLOANHT-QGZVFWFLSA-N 1 1 356.853 4.089 20 30 FIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447398100 1109533614 /nfs/dbraw/zinc/53/36/14/1109533614.db2.gz RQZGKIZEBYHWQU-IAGOWNOFSA-N 1 1 372.534 4.325 20 30 FIEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC(Oc4cc[nH+]cc4C)CC3)c2c1 ZINC000447682525 1109618587 /nfs/dbraw/zinc/61/85/87/1109618587.db2.gz ZPMXFZQMWXDFHK-UHFFFAOYSA-N 1 1 372.472 4.475 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000448131982 1109728144 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353.441 4.245 20 30 FIEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490395162 1114280542 /nfs/dbraw/zinc/28/05/42/1114280542.db2.gz AIBVHGKAABIQQJ-VGSWGCGISA-N 1 1 356.473 4.337 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491136423 1114373748 /nfs/dbraw/zinc/37/37/48/1114373748.db2.gz GVPCCCOCKVCDBK-NRFANRHFSA-N 1 1 370.500 4.413 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000054718135 1114384699 /nfs/dbraw/zinc/38/46/99/1114384699.db2.gz NCDBCDVFCCPMRH-MJGOQNOKSA-N 1 1 369.534 4.281 20 30 FIEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c(O)c(OC)c1 ZINC000164321657 1114472068 /nfs/dbraw/zinc/47/20/68/1114472068.db2.gz XRVHKHIIYDODNL-QGZVFWFLSA-N 1 1 358.507 4.404 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000589743962 1114832788 /nfs/dbraw/zinc/83/27/88/1114832788.db2.gz SZAJDYUZFRSAJO-KURKYZTESA-N 1 1 364.436 4.065 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000589739468 1114836792 /nfs/dbraw/zinc/83/67/92/1114836792.db2.gz PKTMXEDVSUALTF-SFHVURJKSA-N 1 1 359.514 4.418 20 30 FIEDMO CC[N@H+](C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000589995020 1114872509 /nfs/dbraw/zinc/87/25/09/1114872509.db2.gz WJEHCJNCFRMYIX-QHCPKHFHSA-N 1 1 369.468 4.113 20 30 FIEDMO CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000589995020 1114872512 /nfs/dbraw/zinc/87/25/12/1114872512.db2.gz WJEHCJNCFRMYIX-QHCPKHFHSA-N 1 1 369.468 4.113 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590006846 1114873293 /nfs/dbraw/zinc/87/32/93/1114873293.db2.gz VBEKFOIRENINRP-HNNXBMFYSA-N 1 1 357.523 4.141 20 30 FIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)nc1 ZINC000590052967 1114889748 /nfs/dbraw/zinc/88/97/48/1114889748.db2.gz FXZRQXYQXQCYJJ-KRWDZBQOSA-N 1 1 368.506 4.111 20 30 FIEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)nc1 ZINC000590052967 1114889750 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N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000592522901 1115240359 /nfs/dbraw/zinc/24/03/59/1115240359.db2.gz HWGFIGCKYGOJBO-QGZVFWFLSA-N 1 1 351.233 4.104 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1 ZINC000058522760 1115246484 /nfs/dbraw/zinc/24/64/84/1115246484.db2.gz OWXJUGXKXNDVEX-QGZVFWFLSA-N 1 1 362.477 4.254 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000592762207 1115264008 /nfs/dbraw/zinc/26/40/08/1115264008.db2.gz GTYSDXLXFPOCIZ-BXUZGUMPSA-N 1 1 365.264 4.084 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000593030919 1115280340 /nfs/dbraw/zinc/28/03/40/1115280340.db2.gz QMORXOHKQRHSPJ-OAHLLOKOSA-N 1 1 353.344 4.021 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000593030919 1115280343 /nfs/dbraw/zinc/28/03/43/1115280343.db2.gz QMORXOHKQRHSPJ-OAHLLOKOSA-N 1 1 353.344 4.021 20 30 FIEDMO C=CCc1cc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc(OC)c1O ZINC000574201855 1115293915 /nfs/dbraw/zinc/29/39/15/1115293915.db2.gz VCEMYKAEWGIIIX-ROUUACIJSA-N 1 1 369.505 4.116 20 30 FIEDMO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000593679460 1115338537 /nfs/dbraw/zinc/33/85/37/1115338537.db2.gz ZYHZAMIEUVADIC-JOCHJYFZSA-N 1 1 374.488 4.176 20 30 FIEDMO C[NH+](C)C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000594941627 1115501543 /nfs/dbraw/zinc/50/15/43/1115501543.db2.gz XOKIGSRCGHELPT-HXUWFJFHSA-N 1 1 353.897 4.288 20 30 FIEDMO N#CC1(c2ccc(C[NH2+][C@@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000595001759 1115506537 /nfs/dbraw/zinc/50/65/37/1115506537.db2.gz YAXNLAQTMGKOKY-KRWDZBQOSA-N 1 1 361.272 4.372 20 30 FIEDMO COc1ccc(-n2c3ccccc3nc2C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595620794 1115550990 /nfs/dbraw/zinc/55/09/90/1115550990.db2.gz QVHVDESQEKTZRE-KRWDZBQOSA-N 1 1 360.461 4.160 20 30 FIEDMO COc1ccc(-n2c3ccccc3nc2C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595620794 1115550996 /nfs/dbraw/zinc/55/09/96/1115550996.db2.gz QVHVDESQEKTZRE-KRWDZBQOSA-N 1 1 360.461 4.160 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595748699 1115560929 /nfs/dbraw/zinc/56/09/29/1115560929.db2.gz KDBLEFMBWOYRMK-INIZCTEOSA-N 1 1 371.308 4.059 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755098 1115561478 /nfs/dbraw/zinc/56/14/78/1115561478.db2.gz GJXPDJWJDFDPOX-CVEARBPZSA-N 1 1 363.502 4.091 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755098 1115561480 /nfs/dbraw/zinc/56/14/80/1115561480.db2.gz GJXPDJWJDFDPOX-CVEARBPZSA-N 1 1 363.502 4.091 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755101 1115561569 /nfs/dbraw/zinc/56/15/69/1115561569.db2.gz GJXPDJWJDFDPOX-JKSUJKDBSA-N 1 1 363.502 4.091 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755101 1115561573 /nfs/dbraw/zinc/56/15/73/1115561573.db2.gz GJXPDJWJDFDPOX-JKSUJKDBSA-N 1 1 363.502 4.091 20 30 FIEDMO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000595775254 1115562889 /nfs/dbraw/zinc/56/28/89/1115562889.db2.gz QSACNJNGGUQALN-APWZRJJASA-N 1 1 362.901 4.202 20 30 FIEDMO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595775254 1115562892 /nfs/dbraw/zinc/56/28/92/1115562892.db2.gz QSACNJNGGUQALN-APWZRJJASA-N 1 1 362.901 4.202 20 30 FIEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000595783458 1115563154 /nfs/dbraw/zinc/56/31/54/1115563154.db2.gz ONKKBLXKNNUHPI-BRWVUGGUSA-N 1 1 359.539 4.387 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595844457 1115564056 /nfs/dbraw/zinc/56/40/56/1115564056.db2.gz FJOKOGOXBMUZTB-YESZJQIVSA-N 1 1 355.507 4.060 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595844457 1115564058 /nfs/dbraw/zinc/56/40/58/1115564058.db2.gz FJOKOGOXBMUZTB-YESZJQIVSA-N 1 1 355.507 4.060 20 30 FIEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000595881085 1115565474 /nfs/dbraw/zinc/56/54/74/1115565474.db2.gz PQSLBKPLEZASBQ-HXUWFJFHSA-N 1 1 356.473 4.121 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2nc3ncccc3cc2C#N)[C@@H]1c1cccs1 ZINC000596148026 1115575846 /nfs/dbraw/zinc/57/58/46/1115575846.db2.gz YKHGONPMJALJMQ-CRAIPNDOSA-N 1 1 363.490 4.058 20 30 FIEDMO CC[N@@H+](CCC1CCN(c2nc(C#N)c(Cl)s2)CC1)CC1CC1 ZINC000596182550 1115576487 /nfs/dbraw/zinc/57/64/87/1115576487.db2.gz PBAPFEGUWVYHAB-UHFFFAOYSA-N 1 1 352.935 4.007 20 30 FIEDMO N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)sc1Cl ZINC000596168098 1115578189 /nfs/dbraw/zinc/57/81/89/1115578189.db2.gz KNXUAFFIHGDFIB-WBVHZDCISA-N 1 1 372.925 4.159 20 30 FIEDMO Cc1cc(N[C@H]2CCOC(C)(C)C2)c(C#N)c(N[C@H]2CCOC(C)(C)C2)[nH+]1 ZINC000596171450 1115578255 /nfs/dbraw/zinc/57/82/55/1115578255.db2.gz AOSLJBSXIMOVHH-HOTGVXAUSA-N 1 1 372.513 4.001 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3CNC(=O)c3ccccc3)cc2)CC1 ZINC000596992697 1115633866 /nfs/dbraw/zinc/63/38/66/1115633866.db2.gz FBHGAOYKPIOOQF-JOCHJYFZSA-N 1 1 373.500 4.026 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000597176184 1115646970 /nfs/dbraw/zinc/64/69/70/1115646970.db2.gz GEYPUMRHLPAQPV-LLVKDONJSA-N 1 1 359.214 4.176 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000597176184 1115646972 /nfs/dbraw/zinc/64/69/72/1115646972.db2.gz GEYPUMRHLPAQPV-LLVKDONJSA-N 1 1 359.214 4.176 20 30 FIEDMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176331 1115647009 /nfs/dbraw/zinc/64/70/09/1115647009.db2.gz HROZMTPLRHLFPY-HNNXBMFYSA-N 1 1 373.298 4.069 20 30 FIEDMO CC[C@@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000761219416 1115658112 /nfs/dbraw/zinc/65/81/12/1115658112.db2.gz PTIDBIYYLCTWQG-DENIHFKCSA-N 1 1 363.505 4.074 20 30 FIEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCN1Cc1ccccc1 ZINC000761219416 1115658113 /nfs/dbraw/zinc/65/81/13/1115658113.db2.gz PTIDBIYYLCTWQG-DENIHFKCSA-N 1 1 363.505 4.074 20 30 FIEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCN1Cc1ccccc1 ZINC000761219416 1115658114 /nfs/dbraw/zinc/65/81/14/1115658114.db2.gz PTIDBIYYLCTWQG-DENIHFKCSA-N 1 1 363.505 4.074 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC3(C#N)CCCCC3)C2)s1 ZINC000597630873 1115677998 /nfs/dbraw/zinc/67/79/98/1115677998.db2.gz BEKLPWXPUXWAID-SFHVURJKSA-N 1 1 373.566 4.201 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000597854639 1115689815 /nfs/dbraw/zinc/68/98/15/1115689815.db2.gz KIUNLXXMXNEMTA-QGZVFWFLSA-N 1 1 361.489 4.075 20 30 FIEDMO COc1cccc2c(N3CCO[C@H](c4cccc(C#N)c4)C3)cc(C)[nH+]c12 ZINC000761246109 1115695513 /nfs/dbraw/zinc/69/55/13/1115695513.db2.gz QPLZQXQNAISTSF-NRFANRHFSA-N 1 1 359.429 4.001 20 30 FIEDMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)ccc1Br ZINC000598612547 1115739828 /nfs/dbraw/zinc/73/98/28/1115739828.db2.gz WVDOWHHOZLWWOX-NVXWUHKLSA-N 1 1 365.315 4.195 20 30 FIEDMO CCC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000061001640 1115747716 /nfs/dbraw/zinc/74/77/16/1115747716.db2.gz STDFSAXUHSPFKK-UHFFFAOYSA-N 1 1 363.505 4.207 20 30 FIEDMO CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000603497110 1115784935 /nfs/dbraw/zinc/78/49/35/1115784935.db2.gz BHSIRKFNYPBJBX-UHFFFAOYSA-N 1 1 359.539 4.338 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000603681219 1115806240 /nfs/dbraw/zinc/80/62/40/1115806240.db2.gz WDHKYSGAWOYMOX-UHFFFAOYSA-N 1 1 356.853 4.395 20 30 FIEDMO CC(C)c1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599338895 1115810536 /nfs/dbraw/zinc/81/05/36/1115810536.db2.gz IWWPGXSCQDHFDN-FGZHOGPDSA-N 1 1 370.537 4.408 20 30 FIEDMO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000603832792 1115819454 /nfs/dbraw/zinc/81/94/54/1115819454.db2.gz OAUSLZBBRLXPHZ-GOSISDBHSA-N 1 1 355.526 4.055 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586523 1115828709 /nfs/dbraw/zinc/82/87/09/1115828709.db2.gz AGQXHCBXBWTSBA-AEFFLSMTSA-N 1 1 356.510 4.287 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589458 1115829451 /nfs/dbraw/zinc/82/94/51/1115829451.db2.gz MFBAUPPDMHCWHW-LPHOPBHVSA-N 1 1 356.510 4.287 20 30 FIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000599677815 1115834438 /nfs/dbraw/zinc/83/44/38/1115834438.db2.gz LVRIMMFXCRADRW-UHFFFAOYSA-N 1 1 369.468 4.285 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000599654297 1115835812 /nfs/dbraw/zinc/83/58/12/1115835812.db2.gz YUKCDVZBKAVQMD-CJNGLKHVSA-N 1 1 356.267 4.094 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCCSCC#N ZINC000599654339 1115835822 /nfs/dbraw/zinc/83/58/22/1115835822.db2.gz ZMHILZFGAGXUOI-HIFRSBDPSA-N 1 1 353.329 4.274 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599738717 1115841614 /nfs/dbraw/zinc/84/16/14/1115841614.db2.gz XOWNXDLBAJBVPW-RDJZCZTQSA-N 1 1 372.538 4.077 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1 ZINC000604492941 1115867535 /nfs/dbraw/zinc/86/75/35/1115867535.db2.gz CLUASSMWOKOXAF-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594035762 1115972342 /nfs/dbraw/zinc/97/23/42/1115972342.db2.gz UYZUPMHKCXLJHT-UHFFFAOYSA-N 1 1 362.351 4.244 20 30 FIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](C)CC3)sc2C1 ZINC000063302785 1116039451 /nfs/dbraw/zinc/03/94/51/1116039451.db2.gz TVBJEJZHMPXPCC-GJZGRUSLSA-N 1 1 359.539 4.195 20 30 FIEDMO COc1ccccc1-c1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000491213995 1116098274 /nfs/dbraw/zinc/09/82/74/1116098274.db2.gz RMNWLILLUKMQJZ-FQEVSTJZSA-N 1 1 358.445 4.287 20 30 FIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CCCCC2)CC1 ZINC000608833277 1116130717 /nfs/dbraw/zinc/13/07/17/1116130717.db2.gz HYTJJTJWVUFMHI-HNNXBMFYSA-N 1 1 371.550 4.482 20 30 FIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3CCCC3)sc2C1 ZINC000064020715 1116136169 /nfs/dbraw/zinc/13/61/69/1116136169.db2.gz MKTUSNRMHFWDBL-AWEZNQCLSA-N 1 1 359.539 4.195 20 30 FIEDMO N#CCc1cccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000456749163 1116216961 /nfs/dbraw/zinc/21/69/61/1116216961.db2.gz KKDWWSQMYDHYFI-GOSISDBHSA-N 1 1 362.477 4.198 20 30 FIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428773340 1116250990 /nfs/dbraw/zinc/25/09/90/1116250990.db2.gz QICVMPMGRRUXIG-CXAGYDPISA-N 1 1 361.367 4.186 20 30 FIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C3c4ccccc4-c4ccccc43)C2)nc1 ZINC000428788765 1116344201 /nfs/dbraw/zinc/34/42/01/1116344201.db2.gz SBRORZNULVQKQX-QGZVFWFLSA-N 1 1 353.425 4.176 20 30 FIEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000539569136 1116346045 /nfs/dbraw/zinc/34/60/45/1116346045.db2.gz NISJNULXFFLBDW-LJQANCHMSA-N 1 1 354.494 4.230 20 30 FIEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)[nH]1 ZINC000539767318 1116377709 /nfs/dbraw/zinc/37/77/09/1116377709.db2.gz DDQFDRMTHOETMK-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n1 ZINC000539767318 1116377711 /nfs/dbraw/zinc/37/77/11/1116377711.db2.gz DDQFDRMTHOETMK-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n1 ZINC000539767318 1116377714 /nfs/dbraw/zinc/37/77/14/1116377714.db2.gz DDQFDRMTHOETMK-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n[nH]1 ZINC000539767318 1116377716 /nfs/dbraw/zinc/37/77/16/1116377716.db2.gz DDQFDRMTHOETMK-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n[nH]1 ZINC000539767318 1116377717 /nfs/dbraw/zinc/37/77/17/1116377717.db2.gz DDQFDRMTHOETMK-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000540149049 1117898633 /nfs/dbraw/zinc/89/86/33/1117898633.db2.gz LTDABWYDZSWWLZ-QRWLVFNGSA-N 1 1 351.450 4.349 20 30 FIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463041150 1117933795 /nfs/dbraw/zinc/93/37/95/1117933795.db2.gz GGPBTZNSRYZWKQ-QHCPKHFHSA-N 1 1 351.490 4.069 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000463221852 1118034367 /nfs/dbraw/zinc/03/43/67/1118034367.db2.gz IZHLTRNDSZNRDX-XXBNENTESA-N 1 1 363.505 4.304 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000463221852 1118034372 /nfs/dbraw/zinc/03/43/72/1118034372.db2.gz IZHLTRNDSZNRDX-XXBNENTESA-N 1 1 363.505 4.304 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000463230003 1118038206 /nfs/dbraw/zinc/03/82/06/1118038206.db2.gz FTXKOWUWPVKABR-MBSDFSHPSA-N 1 1 361.489 4.058 20 30 FIEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000463230003 1118038212 /nfs/dbraw/zinc/03/82/12/1118038212.db2.gz FTXKOWUWPVKABR-MBSDFSHPSA-N 1 1 361.489 4.058 20 30 FIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)c(Br)c2)CC1 ZINC000540604249 1118144056 /nfs/dbraw/zinc/14/40/56/1118144056.db2.gz ZDXWQSIYIKEJKP-UHFFFAOYSA-N 1 1 357.723 4.233 20 30 FIEDMO C[C@H]1C[C@H](CCNc2ccc([N+](=O)[O-])c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000463662261 1118269141 /nfs/dbraw/zinc/26/91/41/1118269141.db2.gz HCDBLNUAIPQPTB-WMZOPIPTSA-N 1 1 364.449 4.179 20 30 FIEDMO Cc1cccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000541386195 1118497430 /nfs/dbraw/zinc/49/74/30/1118497430.db2.gz LOZUNRXRHJYFIB-SFHVURJKSA-N 1 1 365.502 4.039 20 30 FIEDMO Cc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000541386195 1118497433 /nfs/dbraw/zinc/49/74/33/1118497433.db2.gz LOZUNRXRHJYFIB-SFHVURJKSA-N 1 1 365.502 4.039 20 30 FIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541701242 1118616052 /nfs/dbraw/zinc/61/60/52/1118616052.db2.gz HDTANWKOJJLDLW-KNQAVFIVSA-N 1 1 363.436 4.302 20 30 FIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1C ZINC000464769582 1118680338 /nfs/dbraw/zinc/68/03/38/1118680338.db2.gz CQYWFMSJMHICOI-FQEVSTJZSA-N 1 1 353.510 4.173 20 30 FIEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000464768100 1118687492 /nfs/dbraw/zinc/68/74/92/1118687492.db2.gz XHCIQMVQJLSCQV-LJQANCHMSA-N 1 1 374.488 4.002 20 30 FIEDMO Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000541948097 1118717175 /nfs/dbraw/zinc/71/71/75/1118717175.db2.gz FYVUCLFFGCGQDP-UHFFFAOYSA-N 1 1 363.461 4.352 20 30 FIEDMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)N(CCC#N)c1ccccc1 ZINC000303133315 1118823941 /nfs/dbraw/zinc/82/39/41/1118823941.db2.gz OSONTZUKFFJHNC-UHFFFAOYSA-N 1 1 371.484 4.261 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000542252890 1118862079 /nfs/dbraw/zinc/86/20/79/1118862079.db2.gz KPRONMKYOLXOAS-HOTGVXAUSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000542252890 1118862083 /nfs/dbraw/zinc/86/20/83/1118862083.db2.gz KPRONMKYOLXOAS-HOTGVXAUSA-N 1 1 359.539 4.387 20 30 FIEDMO Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000542322789 1118904748 /nfs/dbraw/zinc/90/47/48/1118904748.db2.gz NDQRDPMDZYRAOO-GOSISDBHSA-N 1 1 365.502 4.039 20 30 FIEDMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1 ZINC000542322789 1118904750 /nfs/dbraw/zinc/90/47/50/1118904750.db2.gz NDQRDPMDZYRAOO-GOSISDBHSA-N 1 1 365.502 4.039 20 30 FIEDMO CC[N@@H+](CCNc1ccc(C#N)cc1Br)CCC(F)(F)F ZINC000491581991 1118963872 /nfs/dbraw/zinc/96/38/72/1118963872.db2.gz SEMUOMNNPUBEMB-UHFFFAOYSA-N 1 1 364.209 4.007 20 30 FIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000177904875 1119360209 /nfs/dbraw/zinc/36/02/09/1119360209.db2.gz UVPKBOBGEZNONM-OAHLLOKOSA-N 1 1 358.917 4.135 20 30 FIEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000272171155 1119427195 /nfs/dbraw/zinc/42/71/95/1119427195.db2.gz DFLGXTIRESJZCH-CYBMUJFWSA-N 1 1 350.853 4.438 20 30 FIEDMO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000494096373 1119536117 /nfs/dbraw/zinc/53/61/17/1119536117.db2.gz JSUHHCPLVAOEBR-OAHLLOKOSA-N 1 1 361.445 4.326 20 30 FIEDMO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000494096373 1119536126 /nfs/dbraw/zinc/53/61/26/1119536126.db2.gz JSUHHCPLVAOEBR-OAHLLOKOSA-N 1 1 361.445 4.326 20 30 FIEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000185358562 1119657458 /nfs/dbraw/zinc/65/74/58/1119657458.db2.gz JLWOLYBFPMIOSO-NRFANRHFSA-N 1 1 364.493 4.031 20 30 FIEDMO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000494360170 1119835081 /nfs/dbraw/zinc/83/50/81/1119835081.db2.gz MRHIYWDKIBXHCZ-INIZCTEOSA-N 1 1 367.493 4.158 20 30 FIEDMO N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000494608671 1119990424 /nfs/dbraw/zinc/99/04/24/1119990424.db2.gz KYLYRBFUSOVJFD-KRWDZBQOSA-N 1 1 353.853 4.062 20 30 FIEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000914771662 1120530175 /nfs/dbraw/zinc/53/01/75/1120530175.db2.gz NUPBBLOLLJNGLU-YJBOKZPZSA-N 1 1 374.469 4.122 20 30 FIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)Cc1cccc(F)c1)[C@H]2CC ZINC001168483769 1120614966 /nfs/dbraw/zinc/61/49/66/1120614966.db2.gz BKFHKSXBTBIGBP-AGHHOFFYSA-N 1 1 358.501 4.178 20 30 FIEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000237745819 1120983089 /nfs/dbraw/zinc/98/30/89/1120983089.db2.gz JYDVBAYMEIIFOJ-UHFFFAOYSA-N 1 1 350.231 4.443 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)C1 ZINC000915629549 1121011079 /nfs/dbraw/zinc/01/10/79/1121011079.db2.gz PRIKJEJPLQZKCK-ADYSOMBNSA-N 1 1 359.473 4.442 20 30 FIEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000107073637 1121286474 /nfs/dbraw/zinc/28/64/74/1121286474.db2.gz NFTFSQSUBCFCBH-HZPDHXFCSA-N 1 1 357.523 4.274 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000107073008 1121287125 /nfs/dbraw/zinc/28/71/25/1121287125.db2.gz VCICCMATAHQJMI-HOTGVXAUSA-N 1 1 355.507 4.050 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000763231821 1121296516 /nfs/dbraw/zinc/29/65/16/1121296516.db2.gz QEUFHOFVMLUDQY-ZEQRLZLVSA-N 1 1 354.453 4.239 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000763231815 1121296897 /nfs/dbraw/zinc/29/68/97/1121296897.db2.gz QEUFHOFVMLUDQY-BJKOFHAPSA-N 1 1 354.453 4.239 20 30 FIEDMO CCOc1ccc(O)c(C=Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000915981164 1121361720 /nfs/dbraw/zinc/36/17/20/1121361720.db2.gz NCPNCLAWGNHJSQ-IRXDYDNUSA-N 1 1 368.477 4.151 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1Cl ZINC000496372791 1121423423 /nfs/dbraw/zinc/42/34/23/1121423423.db2.gz UPFYPKJHFWNKAG-OAHLLOKOSA-N 1 1 359.857 4.155 20 30 FIEDMO COc1ccc(CCN[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763363241 1121442159 /nfs/dbraw/zinc/44/21/59/1121442159.db2.gz KUOJLVSDILFLBX-UHFFFAOYSA-N 1 1 357.885 4.115 20 30 FIEDMO O=[N+]([O-])c1cc(C=[NH+]OCc2ccc(F)cc2)ccc1N1CCCCC1 ZINC000916622472 1121564250 /nfs/dbraw/zinc/56/42/50/1121564250.db2.gz TXOGFNPYTXZMHJ-UHFFFAOYSA-N 1 1 357.385 4.275 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1 ZINC000763410292 1121581149 /nfs/dbraw/zinc/58/11/49/1121581149.db2.gz JSAQCJUWYOQIQR-NRFANRHFSA-N 1 1 354.881 4.200 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+]Cc2csc(-c3ccco3)n2)c1 ZINC000124802464 1121721130 /nfs/dbraw/zinc/72/11/30/1121721130.db2.gz KCTLNMAZJIVVSC-UHFFFAOYSA-N 1 1 353.447 4.375 20 30 FIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001168595121 1121759451 /nfs/dbraw/zinc/75/94/51/1121759451.db2.gz WXXYUSWYMGBFKJ-ZDUSSCGKSA-N 1 1 367.342 4.435 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C(C)C ZINC000917167945 1122214288 /nfs/dbraw/zinc/21/42/88/1122214288.db2.gz JUCCTAHCJAYLJE-JOCHJYFZSA-N 1 1 354.469 4.270 20 30 FIEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538953061 1122214680 /nfs/dbraw/zinc/21/46/80/1122214680.db2.gz AFHJKNJZWJBJGJ-KRWDZBQOSA-N 1 1 353.293 4.307 20 30 FIEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538953061 1122214685 /nfs/dbraw/zinc/21/46/85/1122214685.db2.gz AFHJKNJZWJBJGJ-KRWDZBQOSA-N 1 1 353.293 4.307 20 30 FIEDMO C/C=C\c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000497412664 1122221990 /nfs/dbraw/zinc/22/19/90/1122221990.db2.gz SRJLHONIIHXWRR-RQOWECAXSA-N 1 1 374.488 4.331 20 30 FIEDMO Cc1ccc(Cn2cc(C[NH2+]C[C@H](C)C#N)c(-c3ccc(C)cc3)n2)cc1 ZINC000542693790 1122291251 /nfs/dbraw/zinc/29/12/51/1122291251.db2.gz XEVPTLSZMGMPAJ-LJQANCHMSA-N 1 1 358.489 4.465 20 30 FIEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594208 1122303351 /nfs/dbraw/zinc/30/33/51/1122303351.db2.gz SEUCWHYXDCRNHN-DLBZAZTESA-N 1 1 367.468 4.300 20 30 FIEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000497615040 1122317985 /nfs/dbraw/zinc/31/79/85/1122317985.db2.gz FLWQRFWIPAPGML-RTWAWAEBSA-N 1 1 367.489 4.001 20 30 FIEDMO C=C(CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000498040667 1122535562 /nfs/dbraw/zinc/53/55/62/1122535562.db2.gz FFZSCQFGOBEFFF-QUCCMNQESA-N 1 1 369.534 4.144 20 30 FIEDMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000129348098 1122572563 /nfs/dbraw/zinc/57/25/63/1122572563.db2.gz FIXGJSYWSMFUCU-YADHBBJMSA-N 1 1 362.517 4.027 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)c1C ZINC000556065865 1122636717 /nfs/dbraw/zinc/63/67/17/1122636717.db2.gz YGFAZNOAZATXHU-LJQANCHMSA-N 1 1 363.505 4.286 20 30 FIEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000556103644 1122656287 /nfs/dbraw/zinc/65/62/87/1122656287.db2.gz GZIWIORBOVEKGR-PMACEKPBSA-N 1 1 358.407 4.092 20 30 FIEDMO C[N@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000556103644 1122656288 /nfs/dbraw/zinc/65/62/88/1122656288.db2.gz GZIWIORBOVEKGR-PMACEKPBSA-N 1 1 358.407 4.092 20 30 FIEDMO CC(C)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000072717804 1123132488 /nfs/dbraw/zinc/13/24/88/1123132488.db2.gz KMKIIEUMEZIEKP-MRXNPFEDSA-N 1 1 359.539 4.245 20 30 FIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2C1 ZINC000556937540 1123242299 /nfs/dbraw/zinc/24/22/99/1123242299.db2.gz RHGMKDYPIMNQKL-UHFFFAOYSA-N 1 1 353.853 4.436 20 30 FIEDMO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484919 1123462782 /nfs/dbraw/zinc/46/27/82/1123462782.db2.gz KHGYOQHMHRNIDN-QGZVFWFLSA-N 1 1 360.502 4.484 20 30 FIEDMO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484919 1123462783 /nfs/dbraw/zinc/46/27/83/1123462783.db2.gz KHGYOQHMHRNIDN-QGZVFWFLSA-N 1 1 360.502 4.484 20 30 FIEDMO CCOc1ccc(O)c(/C=N/C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000921260650 1123605029 /nfs/dbraw/zinc/60/50/29/1123605029.db2.gz DLMWRYVALFHVLM-KMUCBOENSA-N 1 1 352.478 4.265 20 30 FIEDMO CCOc1ccc(O)c(/C=N/C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000921260653 1123605122 /nfs/dbraw/zinc/60/51/22/1123605122.db2.gz DLMWRYVALFHVLM-VRMLFSPKSA-N 1 1 352.478 4.265 20 30 FIEDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccc(CC#N)cc2)c1 ZINC001127559645 1123729466 /nfs/dbraw/zinc/72/94/66/1123729466.db2.gz KSCJXOSKPABMRG-JOCHJYFZSA-N 1 1 362.473 4.159 20 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1123790253 /nfs/dbraw/zinc/79/02/53/1123790253.db2.gz SFZXRNOVMDRMLH-MAUKXSAKSA-N 1 1 367.880 4.418 20 30 FIEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000609766850 1123825638 /nfs/dbraw/zinc/82/56/38/1123825638.db2.gz ZDYAIJJDJCNYPR-AZUAARDMSA-N 1 1 359.901 4.066 20 30 FIEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000609766850 1123825648 /nfs/dbraw/zinc/82/56/48/1123825648.db2.gz ZDYAIJJDJCNYPR-AZUAARDMSA-N 1 1 359.901 4.066 20 30 FIEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000609801575 1123838618 /nfs/dbraw/zinc/83/86/18/1123838618.db2.gz ZDYOKXCOGYXSJK-QFIPXVFZSA-N 1 1 361.489 4.100 20 30 FIEDMO C=CCCCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136467732 1123897538 /nfs/dbraw/zinc/89/75/38/1123897538.db2.gz JVSGJSLVGSFWIK-QAPCUYQASA-N 1 1 367.896 4.080 20 30 FIEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610003859 1123914311 /nfs/dbraw/zinc/91/43/11/1123914311.db2.gz 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COc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000273581975 1124242171 /nfs/dbraw/zinc/24/21/71/1124242171.db2.gz ZXZBEMIOZJRXGO-FPOVZHCZSA-N 1 1 354.425 4.058 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000273581979 1124242475 /nfs/dbraw/zinc/24/24/75/1124242475.db2.gz ZXZBEMIOZJRXGO-PZJWPPBQSA-N 1 1 354.425 4.058 20 30 FIEDMO N#Cc1cc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)ccn1 ZINC000616126276 1124249478 /nfs/dbraw/zinc/24/94/78/1124249478.db2.gz PENLNGGQWVCEPP-UHFFFAOYSA-N 1 1 356.267 4.128 20 30 FIEDMO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000616302900 1124283747 /nfs/dbraw/zinc/28/37/47/1124283747.db2.gz OFNYZDAAGVYSII-LJQANCHMSA-N 1 1 373.500 4.073 20 30 FIEDMO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000616302900 1124283753 /nfs/dbraw/zinc/28/37/53/1124283753.db2.gz OFNYZDAAGVYSII-LJQANCHMSA-N 1 1 373.500 4.073 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](CCC#N)c2ccccc2)C1 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XGMDAYXMDUDRRY-KSFYIVLOSA-N 1 1 365.477 4.149 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000303672351 1124449406 /nfs/dbraw/zinc/44/94/06/1124449406.db2.gz XGMDAYXMDUDRRY-KSFYIVLOSA-N 1 1 365.477 4.149 20 30 FIEDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000109405111 1124564691 /nfs/dbraw/zinc/56/46/91/1124564691.db2.gz HYLWQMDOGAQWFP-QHCPKHFHSA-N 1 1 363.505 4.282 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000072895857 1124581901 /nfs/dbraw/zinc/58/19/01/1124581901.db2.gz BHFFBKFLSOYBRD-KXBFYZLASA-N 1 1 351.450 4.262 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000110984281 1124813447 /nfs/dbraw/zinc/81/34/47/1124813447.db2.gz XKFIPXHDXUETFG-QFIPXVFZSA-N 1 1 359.473 4.429 20 30 FIEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249128473 1124846891 /nfs/dbraw/zinc/84/68/91/1124846891.db2.gz VJLIRDXXJXYMMF-DKSSEZFCSA-N 1 1 352.881 4.190 20 30 FIEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532308 1125063815 /nfs/dbraw/zinc/06/38/15/1125063815.db2.gz MPBZHNOPIIZQEY-IAGOWNOFSA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532308 1125063823 /nfs/dbraw/zinc/06/38/23/1125063823.db2.gz MPBZHNOPIIZQEY-IAGOWNOFSA-N 1 1 352.400 4.019 20 30 FIEDMO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000077183507 1125139851 /nfs/dbraw/zinc/13/98/51/1125139851.db2.gz BHSUSHSCSGTEEM-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO C[C@H](c1ccccc1F)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000522162177 1125159893 /nfs/dbraw/zinc/15/98/93/1125159893.db2.gz ZLOPFTJLQGXXIY-MRXNPFEDSA-N 1 1 360.436 4.129 20 30 FIEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093066 1125269513 /nfs/dbraw/zinc/26/95/13/1125269513.db2.gz CVKIJVBXOIQTRT-PZJWPPBQSA-N 1 1 365.908 4.166 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618789597 1125279819 /nfs/dbraw/zinc/27/98/19/1125279819.db2.gz LKZLABJQQZMZIC-QFIPXVFZSA-N 1 1 361.489 4.207 20 30 FIEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc(OC)c1O ZINC000093364963 1125314524 /nfs/dbraw/zinc/31/45/24/1125314524.db2.gz RXFRTHDLQQPQAS-KRWDZBQOSA-N 1 1 358.507 4.404 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481431096 567924868 /nfs/dbraw/zinc/92/48/68/567924868.db2.gz ZWIHQQZFGBFPFU-KRWDZBQOSA-N 1 1 365.452 4.296 20 30 FIEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000602514527 567989716 /nfs/dbraw/zinc/98/97/16/567989716.db2.gz KMWOGBANGXIZJM-VQTJNVASSA-N 1 1 369.553 4.250 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC000602650734 568005139 /nfs/dbraw/zinc/00/51/39/568005139.db2.gz GUMMULAEDRWDEC-UHFFFAOYSA-N 1 1 359.395 4.244 20 30 FIEDMO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000568678225 568120203 /nfs/dbraw/zinc/12/02/03/568120203.db2.gz OQLUBWLYOZVGGF-UHFFFAOYSA-N 1 1 361.445 4.170 20 30 FIEDMO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000568678225 568120204 /nfs/dbraw/zinc/12/02/04/568120204.db2.gz OQLUBWLYOZVGGF-UHFFFAOYSA-N 1 1 361.445 4.170 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C2CC2)C2CCCCC2)c1C ZINC000603848719 568163627 /nfs/dbraw/zinc/16/36/27/568163627.db2.gz GXTZSYZRBGNHMW-UHFFFAOYSA-N 1 1 353.510 4.347 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853522 568167227 /nfs/dbraw/zinc/16/72/27/568167227.db2.gz BGQJMMYRTJPLAF-DENIHFKCSA-N 1 1 355.526 4.175 20 30 FIEDMO COc1c(Br)cccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000481898080 568173488 /nfs/dbraw/zinc/17/34/88/568173488.db2.gz ABYSMEVRAUNEKB-UHFFFAOYSA-N 1 1 371.278 4.494 20 30 FIEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000330316547 568234641 /nfs/dbraw/zinc/23/46/41/568234641.db2.gz ZJQXAFWCUCKGLT-JXFKEZNVSA-N 1 1 367.497 4.082 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303637112 568268129 /nfs/dbraw/zinc/26/81/29/568268129.db2.gz ZYAHAVOACBEIMP-KNQAVFIVSA-N 1 1 351.494 4.144 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(N[C@H]3CCc4ccc(C#N)cc43)c2)C[C@H](C)O1 ZINC000569294130 568342292 /nfs/dbraw/zinc/34/22/92/568342292.db2.gz JCKMHQLSGUJKNP-MFEFFIJZSA-N 1 1 361.489 4.267 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000570525444 568484309 /nfs/dbraw/zinc/48/43/09/568484309.db2.gz NLNUQRSOEAEZBI-SFHVURJKSA-N 1 1 359.477 4.263 20 30 FIEDMO CC(C)c1ccc(C#N)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629097 719059598 /nfs/dbraw/zinc/05/95/98/719059598.db2.gz VPSVFDOOWSBZDM-IFMALSPDSA-N 1 1 360.505 4.177 20 30 FIEDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1C#N ZINC001164628544 719112080 /nfs/dbraw/zinc/11/20/80/719112080.db2.gz NLSRJYLWRKQJGW-YLJYHZDGSA-N 1 1 366.896 4.016 20 30 FIEDMO Cc1nc(C[NH+]2CCC(CNc3ccc(C#N)c(Cl)c3)CC2)oc1C ZINC000078620432 1125579670 /nfs/dbraw/zinc/57/96/70/1125579670.db2.gz NCAYUKCIIUBYSP-UHFFFAOYSA-N 1 1 358.873 4.141 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000619722856 1125669436 /nfs/dbraw/zinc/66/94/36/1125669436.db2.gz DTTUVOWFLDSWKL-LJQANCHMSA-N 1 1 362.521 4.400 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000152975162 1125705786 /nfs/dbraw/zinc/70/57/86/1125705786.db2.gz ABLAOULBZUUOCV-ZDUSSCGKSA-N 1 1 355.295 4.279 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000153031251 1125723470 /nfs/dbraw/zinc/72/34/70/1125723470.db2.gz FNLQGTNYDJJNOR-AWEZNQCLSA-N 1 1 352.906 4.048 20 30 FIEDMO CCCCc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000048054844 1079955638 /nfs/dbraw/zinc/95/56/38/1079955638.db2.gz XXZFVMHIPSVSOH-UHFFFAOYSA-N 1 1 368.550 4.065 20 30 FIEDMO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)CCC#N ZINC000430209826 1079966424 /nfs/dbraw/zinc/96/64/24/1079966424.db2.gz RXWLQWRYEIHEND-UHFFFAOYSA-N 1 1 363.505 4.154 20 30 FIEDMO C=CCCCCCCCC[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001209442360 1080698366 /nfs/dbraw/zinc/69/83/66/1080698366.db2.gz GUYOBOZKHWFHBX-PWRODBHTSA-N 1 1 362.558 4.005 20 30 FIEDMO C=C1CCC(C(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)CC1 ZINC001266435492 1080842215 /nfs/dbraw/zinc/84/22/15/1080842215.db2.gz JMQHCSNPQRUHHJ-XMSQKQJNSA-N 1 1 369.553 4.195 20 30 FIEDMO C=C1CCC(C(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)CC1 ZINC001266435492 1080842217 /nfs/dbraw/zinc/84/22/17/1080842217.db2.gz JMQHCSNPQRUHHJ-XMSQKQJNSA-N 1 1 369.553 4.195 20 30 FIEDMO CC[C@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)CCc1ccccc1F ZINC001167244455 1080901507 /nfs/dbraw/zinc/90/15/07/1080901507.db2.gz QYLDIBSSYRIUQD-KRWDZBQOSA-N 1 1 370.468 4.428 20 30 FIEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471298278 1080934201 /nfs/dbraw/zinc/93/42/01/1080934201.db2.gz OLGLYBHPGNGTOP-LJQANCHMSA-N 1 1 366.530 4.217 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2csc(C#N)c2)C1 ZINC001648808568 1081113190 /nfs/dbraw/zinc/11/31/90/1081113190.db2.gz UUAJKDAOFVDMLX-CALCHBBNSA-N 1 1 353.535 4.387 20 30 FIEDMO C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000177645272 1081394520 /nfs/dbraw/zinc/39/45/20/1081394520.db2.gz BOVMVQDLFCMLNK-QGZVFWFLSA-N 1 1 366.509 4.113 20 30 FIEDMO CC(N=Nc1ccccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131210 1081467152 /nfs/dbraw/zinc/46/71/52/1081467152.db2.gz HVZHBFAGJSQDLK-UHFFFAOYSA-N 1 1 365.399 4.482 20 30 FIEDMO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000610346586 1081505914 /nfs/dbraw/zinc/50/59/14/1081505914.db2.gz XVDWVSGOQBTVDS-NEPJUHHUSA-N 1 1 352.463 4.297 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000560841685 1081572773 /nfs/dbraw/zinc/57/27/73/1081572773.db2.gz ZSHNWFYFOHSPEU-UHFFFAOYSA-N 1 1 361.367 4.038 20 30 FIEDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000045696975 1081591456 /nfs/dbraw/zinc/59/14/56/1081591456.db2.gz VOBIPKYMPPKPJS-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000580105319 1081597612 /nfs/dbraw/zinc/59/76/12/1081597612.db2.gz XAEMKPKWIDXREK-UHFFFAOYSA-N 1 1 359.429 4.257 20 30 FIEDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC001167360543 1081719728 /nfs/dbraw/zinc/71/97/28/1081719728.db2.gz NRIXHRBIFITZDZ-MRXNPFEDSA-N 1 1 369.896 4.099 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177742090 1081788197 /nfs/dbraw/zinc/78/81/97/1081788197.db2.gz SMZOYCACTKSDLB-OLZOCXBDSA-N 1 1 361.898 4.336 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579608433 1081920078 /nfs/dbraw/zinc/92/00/78/1081920078.db2.gz TVJGOHXIDGVMHD-KUHUBIRLSA-N 1 1 355.869 4.034 20 30 FIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160504809 1081953448 /nfs/dbraw/zinc/95/34/48/1081953448.db2.gz VDZYWFZPJMHSCA-DFNIBXOVSA-N 1 1 373.472 4.060 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000471603500 1082051404 /nfs/dbraw/zinc/05/14/04/1082051404.db2.gz SWBQCUSPTPOARO-FQEVSTJZSA-N 1 1 357.542 4.429 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000069165075 1082266051 /nfs/dbraw/zinc/26/60/51/1082266051.db2.gz SMVBOJBWPISXTC-ROUUACIJSA-N 1 1 355.526 4.048 20 30 FIEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000051064231 1082647958 /nfs/dbraw/zinc/64/79/58/1082647958.db2.gz OFKHEBMDNPWNFD-SFHVURJKSA-N 1 1 367.518 4.212 20 30 FIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC001203402823 1082859044 /nfs/dbraw/zinc/85/90/44/1082859044.db2.gz FNYDUAXUYQAZPG-IBGZPJMESA-N 1 1 350.865 4.012 20 30 FIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000510468259 1082922847 /nfs/dbraw/zinc/92/28/47/1082922847.db2.gz ZCZOKPHGYXBUDR-SVFBPWRDSA-N 1 1 355.526 4.206 20 30 FIEDMO C[C@@H]1CCc2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)sc2C1 ZINC000510473391 1082964529 /nfs/dbraw/zinc/96/45/29/1082964529.db2.gz PZSIFYFHNZFOCI-OAHLLOKOSA-N 1 1 367.518 4.183 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000121543048 1083066822 /nfs/dbraw/zinc/06/68/22/1083066822.db2.gz XRPGSGHTHGWOMI-CQSZACIVSA-N 1 1 369.415 4.463 20 30 FIEDMO C=C(C)C[N@H+](CC/C=C/c1cncc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000581941089 1083086685 /nfs/dbraw/zinc/08/66/85/1083086685.db2.gz PNSRZTXZSMNOLA-SOFGYWHQSA-N 1 1 354.498 4.349 20 30 FIEDMO N#CCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000610680856 1083322571 /nfs/dbraw/zinc/32/25/71/1083322571.db2.gz MTGNHZCOSFVERO-OAQYLSRUSA-N 1 1 353.897 4.351 20 30 FIEDMO N#CCCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000610680856 1083322573 /nfs/dbraw/zinc/32/25/73/1083322573.db2.gz MTGNHZCOSFVERO-OAQYLSRUSA-N 1 1 353.897 4.351 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000092670646 1083466635 /nfs/dbraw/zinc/46/66/35/1083466635.db2.gz VCKUKTJTAGUAQL-UHFFFAOYSA-N 1 1 350.462 4.487 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)ccc1OCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464084 1083470388 /nfs/dbraw/zinc/47/03/88/1083470388.db2.gz PIAHEPPBYXUSHJ-INIZCTEOSA-N 1 1 354.450 4.133 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179754629 1083616557 /nfs/dbraw/zinc/61/65/57/1083616557.db2.gz HVTQBBIITKBONP-JKSUJKDBSA-N 1 1 353.274 4.017 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179754629 1083616569 /nfs/dbraw/zinc/61/65/69/1083616569.db2.gz HVTQBBIITKBONP-JKSUJKDBSA-N 1 1 353.274 4.017 20 30 FIEDMO C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(C#N)cc1 ZINC000548936021 1083882954 /nfs/dbraw/zinc/88/29/54/1083882954.db2.gz GZAZHYYUJDCZDZ-OAHLLOKOSA-N 1 1 360.436 4.223 20 30 FIEDMO CC(C)[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991350 1083932914 /nfs/dbraw/zinc/93/29/14/1083932914.db2.gz GQIBULBKUUQVMJ-UHFFFAOYSA-N 1 1 362.246 4.265 20 30 FIEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991350 1083932923 /nfs/dbraw/zinc/93/29/23/1083932923.db2.gz GQIBULBKUUQVMJ-UHFFFAOYSA-N 1 1 362.246 4.265 20 30 FIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)cc1OC ZINC000628299390 1083937351 /nfs/dbraw/zinc/93/73/51/1083937351.db2.gz NOEBMKHHLLKYFF-PBHICJAKSA-N 1 1 353.890 4.160 20 30 FIEDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1ccnc(C#N)c1 ZINC000610992730 1083942707 /nfs/dbraw/zinc/94/27/07/1083942707.db2.gz FZGYBBBYZDVDOX-UHFFFAOYSA-N 1 1 359.477 4.188 20 30 FIEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753197 1083942861 /nfs/dbraw/zinc/94/28/61/1083942861.db2.gz ALTCQZHUYQLIJG-UHFFFAOYSA-N 1 1 351.194 4.231 20 30 FIEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000540887894 1083943744 /nfs/dbraw/zinc/94/37/44/1083943744.db2.gz RHVXAMHWNDSKIF-ZWKOTPCHSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000540887894 1083943747 /nfs/dbraw/zinc/94/37/47/1083943747.db2.gz RHVXAMHWNDSKIF-ZWKOTPCHSA-N 1 1 374.271 4.040 20 30 FIEDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1C#N ZINC000610992212 1083944148 /nfs/dbraw/zinc/94/41/48/1083944148.db2.gz LGJVNWBYIXIQGT-KNQAVFIVSA-N 1 1 350.462 4.167 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)c2)c1 ZINC000092073267 1084139577 /nfs/dbraw/zinc/13/95/77/1084139577.db2.gz MAWHYQNWOGTLLE-NRFANRHFSA-N 1 1 372.472 4.240 20 30 FIEDMO C=CCOc1cccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000511010929 1084140515 /nfs/dbraw/zinc/14/05/15/1084140515.db2.gz CETRQEWULYIGQP-UHFFFAOYSA-N 1 1 371.525 4.371 20 30 FIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)c(OC)c1 ZINC000053399406 1084326583 /nfs/dbraw/zinc/32/65/83/1084326583.db2.gz PQLPZEVMMPDWRL-ZWKOTPCHSA-N 1 1 373.518 4.062 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000071954913 1084371470 /nfs/dbraw/zinc/37/14/70/1084371470.db2.gz PQECZNPLYKTZPC-INIZCTEOSA-N 1 1 364.449 4.453 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)[N@H+](C)C1 ZINC000329037290 1084387412 /nfs/dbraw/zinc/38/74/12/1084387412.db2.gz RRDCQEFAPOCSKF-JQFCIGGWSA-N 1 1 373.522 4.164 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)[N@@H+](C)C1 ZINC000329037290 1084387426 /nfs/dbraw/zinc/38/74/26/1084387426.db2.gz RRDCQEFAPOCSKF-JQFCIGGWSA-N 1 1 373.522 4.164 20 30 FIEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000581290077 1084536611 /nfs/dbraw/zinc/53/66/11/1084536611.db2.gz SIRXYPZSXBDRJH-OAHLLOKOSA-N 1 1 355.869 4.022 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000119866321 1084673540 /nfs/dbraw/zinc/67/35/40/1084673540.db2.gz LWURGTDULAMARI-HNNXBMFYSA-N 1 1 354.450 4.167 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H](C)Cc1ccsc1 ZINC000187800906 1085028175 /nfs/dbraw/zinc/02/81/75/1085028175.db2.gz VSXGHQIWHPIXJF-HNNXBMFYSA-N 1 1 373.547 4.255 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000187762554 1085028559 /nfs/dbraw/zinc/02/85/59/1085028559.db2.gz ATNUQIAAXGGERS-BFUOFWGJSA-N 1 1 355.388 4.070 20 30 FIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC000092783291 1085298172 /nfs/dbraw/zinc/29/81/72/1085298172.db2.gz FEFOWWBFAXAZFX-FQEVSTJZSA-N 1 1 350.462 4.367 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000611686566 1085339791 /nfs/dbraw/zinc/33/97/91/1085339791.db2.gz AKAZIJPRUCHYNK-HXUWFJFHSA-N 1 1 371.912 4.341 20 30 FIEDMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000181759292 1085399421 /nfs/dbraw/zinc/39/94/21/1085399421.db2.gz WKGKTJZVAPVIFK-GFCCVEGCSA-N 1 1 353.447 4.272 20 30 FIEDMO C#CCCCCCC(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001125616534 1085403930 /nfs/dbraw/zinc/40/39/30/1085403930.db2.gz FCDFXPFTUHABBD-JOCHJYFZSA-N 1 1 354.538 4.473 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519157 1085434078 /nfs/dbraw/zinc/43/40/78/1085434078.db2.gz RQNNLNMKJOJMRY-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519157 1085434082 /nfs/dbraw/zinc/43/40/82/1085434082.db2.gz RQNNLNMKJOJMRY-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C=CC[N@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)COC ZINC000661239230 1085476988 /nfs/dbraw/zinc/47/69/88/1085476988.db2.gz DJYPMSARMSYLQW-ZDUSSCGKSA-N 1 1 354.372 4.383 20 30 FIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)COC ZINC000661239230 1085476991 /nfs/dbraw/zinc/47/69/91/1085476991.db2.gz DJYPMSARMSYLQW-ZDUSSCGKSA-N 1 1 354.372 4.383 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H](C)COC ZINC000661243466 1085478174 /nfs/dbraw/zinc/47/81/74/1085478174.db2.gz KTSOCYSVDXQJNU-GOSISDBHSA-N 1 1 352.478 4.205 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000549541333 1085504338 /nfs/dbraw/zinc/50/43/38/1085504338.db2.gz OHZAFGQULUCVTB-MRXNPFEDSA-N 1 1 358.432 4.172 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000549541333 1085504344 /nfs/dbraw/zinc/50/43/44/1085504344.db2.gz OHZAFGQULUCVTB-MRXNPFEDSA-N 1 1 358.432 4.172 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000661382175 1085539673 /nfs/dbraw/zinc/53/96/73/1085539673.db2.gz TZZXNZXWJWUVGI-QGZVFWFLSA-N 1 1 369.534 4.421 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cccc(C#N)c2)c1 ZINC000046039942 1085680278 /nfs/dbraw/zinc/68/02/78/1085680278.db2.gz WGLMTBBMINGQPB-UHFFFAOYSA-N 1 1 373.460 4.248 20 30 FIEDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000472256836 1085690227 /nfs/dbraw/zinc/69/02/27/1085690227.db2.gz KMRIIDGFXGBKAW-UEXGIBASSA-N 1 1 361.489 4.401 20 30 FIEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000024674059 1085692313 /nfs/dbraw/zinc/69/23/13/1085692313.db2.gz XUAVGINPEUUYOR-HNNXBMFYSA-N 1 1 353.491 4.249 20 30 FIEDMO C=CCOc1c(Cl)cc(CN2CC[C@@H](C[N@H+](C)CCC)C2)cc1OC ZINC000628186009 1085994529 /nfs/dbraw/zinc/99/45/29/1085994529.db2.gz UNZKUBIIFTZRDB-INIZCTEOSA-N 1 1 366.933 4.077 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000025548850 1086041708 /nfs/dbraw/zinc/04/17/08/1086041708.db2.gz RSVTYDPURITZCF-MRXNPFEDSA-N 1 1 373.456 4.474 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c1C#N ZINC000472278551 1086073818 /nfs/dbraw/zinc/07/38/18/1086073818.db2.gz QSCSQPKWQVORBS-CQSZACIVSA-N 1 1 356.514 4.151 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000662080417 1086104476 /nfs/dbraw/zinc/10/44/76/1086104476.db2.gz QGARBKOMBKSXDH-CALCHBBNSA-N 1 1 362.433 4.383 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc(Br)s2)no1 ZINC000662084302 1086110997 /nfs/dbraw/zinc/11/09/97/1086110997.db2.gz QHRIUPJNNLCULA-PHIMTYICSA-N 1 1 366.284 4.244 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(Br)s2)no1 ZINC000662084302 1086111006 /nfs/dbraw/zinc/11/10/06/1086111006.db2.gz QHRIUPJNNLCULA-PHIMTYICSA-N 1 1 366.284 4.244 20 30 FIEDMO Cc1cccc(NC(=O)Nc2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)c1 ZINC000548788376 1086271318 /nfs/dbraw/zinc/27/13/18/1086271318.db2.gz QSYZGPCEYFUYLD-GOSISDBHSA-N 1 1 361.449 4.172 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154102770 1086296358 /nfs/dbraw/zinc/29/63/58/1086296358.db2.gz DKVCYIYLFIIPSY-AOMKIAJQSA-N 1 1 361.420 4.391 20 30 FIEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052162322 1086360984 /nfs/dbraw/zinc/36/09/84/1086360984.db2.gz FWXZWZLJIXXVKT-MRXNPFEDSA-N 1 1 355.869 4.280 20 30 FIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052162322 1086360994 /nfs/dbraw/zinc/36/09/94/1086360994.db2.gz FWXZWZLJIXXVKT-MRXNPFEDSA-N 1 1 355.869 4.280 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000289706341 1086522377 /nfs/dbraw/zinc/52/23/77/1086522377.db2.gz OTDXOMVQLURZRW-XMSQKQJNSA-N 1 1 371.488 4.442 20 30 FIEDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000583345264 1086587376 /nfs/dbraw/zinc/58/73/76/1086587376.db2.gz WLKVUSNLFHVTJC-IBGZPJMESA-N 1 1 371.868 4.242 20 30 FIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000583345264 1086587394 /nfs/dbraw/zinc/58/73/94/1086587394.db2.gz WLKVUSNLFHVTJC-IBGZPJMESA-N 1 1 371.868 4.242 20 30 FIEDMO NC(CCCc1ccccc1)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000106436470 1086645937 /nfs/dbraw/zinc/64/59/37/1086645937.db2.gz CIJPFUZSEGOXFV-UHFFFAOYSA-N 1 1 370.840 4.202 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@]4(C3)CCCOC4)c2)c1 ZINC000585767991 1086694532 /nfs/dbraw/zinc/69/45/32/1086694532.db2.gz PMILWBDLQVREHB-QHCPKHFHSA-N 1 1 362.473 4.140 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1SC)OCCO2 ZINC000512051692 1086711431 /nfs/dbraw/zinc/71/14/31/1086711431.db2.gz JIZNFACWBNBGHL-UHFFFAOYSA-N 1 1 366.486 4.240 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1SC)OCCO2 ZINC000512051692 1086711437 /nfs/dbraw/zinc/71/14/37/1086711437.db2.gz JIZNFACWBNBGHL-UHFFFAOYSA-N 1 1 366.486 4.240 20 30 FIEDMO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000279005489 1086751402 /nfs/dbraw/zinc/75/14/02/1086751402.db2.gz UJKGKVYKSKYGFT-LURJTMIESA-N 1 1 372.281 4.027 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000278329608 1086819039 /nfs/dbraw/zinc/81/90/39/1086819039.db2.gz LWBADQQIARAOKB-GOSISDBHSA-N 1 1 350.462 4.120 20 30 FIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@]3(CC=CCC3)C1)CCC2 ZINC000512169093 1086869925 /nfs/dbraw/zinc/86/99/25/1086869925.db2.gz DIQHRHFEJHJUST-OAQYLSRUSA-N 1 1 369.534 4.259 20 30 FIEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000245997119 1086883842 /nfs/dbraw/zinc/88/38/42/1086883842.db2.gz FLRAWRCFFVJLES-BBWFWOEESA-N 1 1 372.538 4.171 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246786194 1086957221 /nfs/dbraw/zinc/95/72/21/1086957221.db2.gz RZFKEURABFJFEL-BRWVUGGUSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000583780695 1086960320 /nfs/dbraw/zinc/96/03/20/1086960320.db2.gz YSDNZRXMLDAVIG-CYBMUJFWSA-N 1 1 371.843 4.299 20 30 FIEDMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c(OC)cc1Cl ZINC000329655302 1087151042 /nfs/dbraw/zinc/15/10/42/1087151042.db2.gz MDUUPWRXVZFUEA-CYBMUJFWSA-N 1 1 352.862 4.067 20 30 FIEDMO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329677168 1087176137 /nfs/dbraw/zinc/17/61/37/1087176137.db2.gz WMVHTTJMDPOCKD-AWEZNQCLSA-N 1 1 364.873 4.211 20 30 FIEDMO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329677168 1087176138 /nfs/dbraw/zinc/17/61/38/1087176138.db2.gz WMVHTTJMDPOCKD-AWEZNQCLSA-N 1 1 364.873 4.211 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052922926 1087237863 /nfs/dbraw/zinc/23/78/63/1087237863.db2.gz HQZYMKXWKAPVKE-MRXNPFEDSA-N 1 1 355.869 4.107 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052922926 1087237867 /nfs/dbraw/zinc/23/78/67/1087237867.db2.gz HQZYMKXWKAPVKE-MRXNPFEDSA-N 1 1 355.869 4.107 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187785483 1087305219 /nfs/dbraw/zinc/30/52/19/1087305219.db2.gz PWHPBDXWPUVEHN-SPLOXXLWSA-N 1 1 374.431 4.058 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc3ccccc32)c(C#N)c1C ZINC000053017268 1087314991 /nfs/dbraw/zinc/31/49/91/1087314991.db2.gz SAJRMUHHJUUBID-OAHLLOKOSA-N 1 1 361.445 4.380 20 30 FIEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198385586 1087512737 /nfs/dbraw/zinc/51/27/37/1087512737.db2.gz WNLFYSFBBVGEQR-CQSZACIVSA-N 1 1 353.491 4.130 20 30 FIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CCC(C(F)(F)F)CC1 ZINC000468395429 1087561079 /nfs/dbraw/zinc/56/10/79/1087561079.db2.gz MLYIHHVOOBLQNG-UHFFFAOYSA-N 1 1 354.416 4.375 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374376 1087734173 /nfs/dbraw/zinc/73/41/73/1087734173.db2.gz XHAFRUQWDHNXBY-RYGJVYDSSA-N 1 1 350.466 4.134 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)nn1 ZINC000424290090 1087899835 /nfs/dbraw/zinc/89/98/35/1087899835.db2.gz BEPYUHJJQBBRLU-AWEZNQCLSA-N 1 1 353.495 4.055 20 30 FIEDMO C=CCC1(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCOCC1 ZINC000424586032 1088064673 /nfs/dbraw/zinc/06/46/73/1088064673.db2.gz DSOHYFNLBYYIJO-IBGZPJMESA-N 1 1 370.537 4.050 20 30 FIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000424584461 1088064762 /nfs/dbraw/zinc/06/47/62/1088064762.db2.gz AOQPXEBNQYFNCO-IBGZPJMESA-N 1 1 370.537 4.050 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000505056421 1088085944 /nfs/dbraw/zinc/08/59/44/1088085944.db2.gz BEDNDIBDUXKRPB-UHFFFAOYSA-N 1 1 364.493 4.299 20 30 FIEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177527115 1088349195 /nfs/dbraw/zinc/34/91/95/1088349195.db2.gz BHGFKKQXILPJRL-FUHWJXTLSA-N 1 1 365.502 4.119 20 30 FIEDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc(Cl)ccc1Cl ZINC000189996569 1088733644 /nfs/dbraw/zinc/73/36/44/1088733644.db2.gz VMCSJUXTKFYPRY-SECBINFHSA-N 1 1 354.262 4.216 20 30 FIEDMO CCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000434571298 1088780416 /nfs/dbraw/zinc/78/04/16/1088780416.db2.gz WDZZHPRSLSZIFB-UHFFFAOYSA-N 1 1 357.404 4.077 20 30 FIEDMO C=CCn1c(SCC[N@H+](C)Cc2ccccc2)nnc1-c1ccccc1 ZINC000430088953 1088965511 /nfs/dbraw/zinc/96/55/11/1088965511.db2.gz LQNZGHBKKTXSCE-UHFFFAOYSA-N 1 1 364.518 4.355 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434739119 1089007430 /nfs/dbraw/zinc/00/74/30/1089007430.db2.gz VFEVMFPSGRBHAI-KSFYIVLOSA-N 1 1 365.477 4.067 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(c3ccc(C)cc3)C2)c(C#N)c1C ZINC000434739119 1089007447 /nfs/dbraw/zinc/00/74/47/1089007447.db2.gz VFEVMFPSGRBHAI-KSFYIVLOSA-N 1 1 365.477 4.067 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccccc1OC ZINC000434747845 1089017656 /nfs/dbraw/zinc/01/76/56/1089017656.db2.gz RWBYZLVHDZFMIY-HNNXBMFYSA-N 1 1 369.465 4.188 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccccc1OC ZINC000434747845 1089017672 /nfs/dbraw/zinc/01/76/72/1089017672.db2.gz RWBYZLVHDZFMIY-HNNXBMFYSA-N 1 1 369.465 4.188 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(C#N)c1C ZINC000434832487 1089064040 /nfs/dbraw/zinc/06/40/40/1089064040.db2.gz RBUJQCOJLJZOCR-IBGZPJMESA-N 1 1 351.450 4.161 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(C#N)c1C ZINC000434832487 1089064052 /nfs/dbraw/zinc/06/40/52/1089064052.db2.gz RBUJQCOJLJZOCR-IBGZPJMESA-N 1 1 351.450 4.161 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000549165335 1089086146 /nfs/dbraw/zinc/08/61/46/1089086146.db2.gz LCBSWVDVFRQOIO-QFIPXVFZSA-N 1 1 350.481 4.068 20 30 FIEDMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165335 1089086161 /nfs/dbraw/zinc/08/61/61/1089086161.db2.gz LCBSWVDVFRQOIO-QFIPXVFZSA-N 1 1 350.481 4.068 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434985613 1089187216 /nfs/dbraw/zinc/18/72/16/1089187216.db2.gz CBBBDEONFSNIAD-CYVLTUHYSA-N 1 1 371.488 4.394 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435130375 1089312597 /nfs/dbraw/zinc/31/25/97/1089312597.db2.gz PNKLDTYPWBFHQR-UHFFFAOYSA-N 1 1 363.490 4.108 20 30 FIEDMO N#CCCn1cc(C[N@@H+](Cc2cccs2)C2CC2)c(-c2ccncc2)n1 ZINC000435132802 1089317633 /nfs/dbraw/zinc/31/76/33/1089317633.db2.gz ZUAHVLIWZPWCPO-UHFFFAOYSA-N 1 1 363.490 4.085 20 30 FIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414584 1089618061 /nfs/dbraw/zinc/61/80/61/1089618061.db2.gz DPRXVRYVJRLRPY-ICSRJNTNSA-N 1 1 365.477 4.365 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1OC ZINC000425377025 1089642852 /nfs/dbraw/zinc/64/28/52/1089642852.db2.gz YYGUWPUJTYTZRG-OAQYLSRUSA-N 1 1 357.494 4.041 20 30 FIEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000515018015 1089723018 /nfs/dbraw/zinc/72/30/18/1089723018.db2.gz FFZAYUHQOJHVOO-JXFKEZNVSA-N 1 1 360.461 4.188 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C[C@@H](C)C#N ZINC000435678540 1089867495 /nfs/dbraw/zinc/86/74/95/1089867495.db2.gz QIQSLSHYBOWRNF-KRWDZBQOSA-N 1 1 351.450 4.289 20 30 FIEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330157802 1089907243 /nfs/dbraw/zinc/90/72/43/1089907243.db2.gz PQQGXFZZVCQXPX-PGRDOPGGSA-N 1 1 368.477 4.088 20 30 FIEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435751503 1089912859 /nfs/dbraw/zinc/91/28/59/1089912859.db2.gz SGDMTWAJZABLQL-GOSISDBHSA-N 1 1 371.529 4.033 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545419248 1089917409 /nfs/dbraw/zinc/91/74/09/1089917409.db2.gz JNVNJKRYWPCIDH-JKSUJKDBSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545419248 1089917411 /nfs/dbraw/zinc/91/74/11/1089917411.db2.gz JNVNJKRYWPCIDH-JKSUJKDBSA-N 1 1 359.539 4.387 20 30 FIEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2 ZINC000377927012 1089934615 /nfs/dbraw/zinc/93/46/15/1089934615.db2.gz NZZNHYTUMNFXCF-KRWDZBQOSA-N 1 1 372.428 4.057 20 30 FIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187839019 1090067862 /nfs/dbraw/zinc/06/78/62/1090067862.db2.gz WAHAMWNUHMQZKT-MRXNPFEDSA-N 1 1 365.399 4.240 20 30 FIEDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000417397690 1090867002 /nfs/dbraw/zinc/86/70/02/1090867002.db2.gz YFKPSNUDXIYJAZ-QVKFZJNVSA-N 1 1 357.461 4.176 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H]1CCCCO1 ZINC000511633129 1090911997 /nfs/dbraw/zinc/91/19/97/1090911997.db2.gz ZXPHCYRRJWKMRL-QFIPXVFZSA-N 1 1 350.462 4.138 20 30 FIEDMO CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500002536 1090987636 /nfs/dbraw/zinc/98/76/36/1090987636.db2.gz LPPXNBJOMKEHCF-PGRDOPGGSA-N 1 1 361.489 4.050 20 30 FIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1Cc2ccccc2C1 ZINC000511650010 1091014537 /nfs/dbraw/zinc/01/45/37/1091014537.db2.gz ROKLBEZWMGCQHX-UHFFFAOYSA-N 1 1 356.473 4.063 20 30 FIEDMO N#CC1(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCC1 ZINC000418136625 1091075886 /nfs/dbraw/zinc/07/58/86/1091075886.db2.gz CUIDGFIVMCJGBR-UHFFFAOYSA-N 1 1 353.853 4.376 20 30 FIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000123625221 1091194450 /nfs/dbraw/zinc/19/44/50/1091194450.db2.gz WVKRQTRAUSPRGG-NPPFBWRTSA-N 1 1 370.541 4.229 20 30 FIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000123625221 1091194459 /nfs/dbraw/zinc/19/44/59/1091194459.db2.gz WVKRQTRAUSPRGG-NPPFBWRTSA-N 1 1 370.541 4.229 20 30 FIEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000511664599 1091504906 /nfs/dbraw/zinc/50/49/06/1091504906.db2.gz PFDVMERTMNQYIQ-JVAGSPMVSA-N 1 1 372.512 4.242 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000511831273 1091766449 /nfs/dbraw/zinc/76/64/49/1091766449.db2.gz WWOGURPVMLMLOQ-VGOFRKELSA-N 1 1 353.462 4.222 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000511831273 1091766455 /nfs/dbraw/zinc/76/64/55/1091766455.db2.gz WWOGURPVMLMLOQ-VGOFRKELSA-N 1 1 353.462 4.222 20 30 FIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1Cl ZINC000279478429 1091904943 /nfs/dbraw/zinc/90/49/43/1091904943.db2.gz WNORSROWTGEPED-UHFFFAOYSA-N 1 1 365.868 4.144 20 30 FIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1Cl ZINC000279478429 1091904944 /nfs/dbraw/zinc/90/49/44/1091904944.db2.gz WNORSROWTGEPED-UHFFFAOYSA-N 1 1 365.868 4.144 20 30 FIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCC(C)C)c(OCC)c2)CC1 ZINC000236915363 1092008015 /nfs/dbraw/zinc/00/80/15/1092008015.db2.gz KDVHFRTXXYNFHW-UHFFFAOYSA-N 1 1 360.542 4.250 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 ZINC000432679705 1092074726 /nfs/dbraw/zinc/07/47/26/1092074726.db2.gz JJCNQTPEWKAMDB-UHFFFAOYSA-N 1 1 353.470 4.068 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1Cl ZINC000509531851 1092339188 /nfs/dbraw/zinc/33/91/88/1092339188.db2.gz GKXHJMKVOMPPST-GOSISDBHSA-N 1 1 354.885 4.319 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000520909366 1092350681 /nfs/dbraw/zinc/35/06/81/1092350681.db2.gz ANNKBQITBHRVFL-IBGZPJMESA-N 1 1 365.502 4.468 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000520909366 1092350685 /nfs/dbraw/zinc/35/06/85/1092350685.db2.gz ANNKBQITBHRVFL-IBGZPJMESA-N 1 1 365.502 4.468 20 30 FIEDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000512462041 1092423287 /nfs/dbraw/zinc/42/32/87/1092423287.db2.gz HCTATONMKUGUEB-UHFFFAOYSA-N 1 1 351.469 4.041 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000512462041 1092423294 /nfs/dbraw/zinc/42/32/94/1092423294.db2.gz HCTATONMKUGUEB-UHFFFAOYSA-N 1 1 351.469 4.041 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(Br)cc1 ZINC000728914076 1092476024 /nfs/dbraw/zinc/47/60/24/1092476024.db2.gz PAQBFTHZTXVZGM-GOSISDBHSA-N 1 1 364.258 4.310 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(Br)cc1 ZINC000728914076 1092476037 /nfs/dbraw/zinc/47/60/37/1092476037.db2.gz PAQBFTHZTXVZGM-GOSISDBHSA-N 1 1 364.258 4.310 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000500843431 1092633389 /nfs/dbraw/zinc/63/33/89/1092633389.db2.gz OMHWEMBPCQLMNF-KBPBESRZSA-N 1 1 364.461 4.280 20 30 FIEDMO COc1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1C#N ZINC000442811319 1092784230 /nfs/dbraw/zinc/78/42/30/1092784230.db2.gz OOVXGDVTGQORLS-UHFFFAOYSA-N 1 1 360.461 4.022 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1Cl ZINC000549815326 1092831736 /nfs/dbraw/zinc/83/17/36/1092831736.db2.gz NLZQGAFIOKAMDK-HNNXBMFYSA-N 1 1 371.843 4.169 20 30 FIEDMO C=C(C)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442877436 1092832506 /nfs/dbraw/zinc/83/25/06/1092832506.db2.gz UKZVSBBQMSLLKI-OAHLLOKOSA-N 1 1 354.288 4.015 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000573463207 1092926246 /nfs/dbraw/zinc/92/62/46/1092926246.db2.gz JQCLLHHMUUUPSN-ZDUSSCGKSA-N 1 1 354.816 4.387 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nccc(C#N)c1Cl ZINC000439102584 1092927037 /nfs/dbraw/zinc/92/70/37/1092927037.db2.gz SXISPFZQUIQZBB-OAHLLOKOSA-N 1 1 354.885 4.015 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000432928925 1092963904 /nfs/dbraw/zinc/96/39/04/1092963904.db2.gz OPUWMOJCXNOHPI-UHFFFAOYSA-N 1 1 374.410 4.494 20 30 FIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)c1 ZINC000512604007 1092987480 /nfs/dbraw/zinc/98/74/80/1092987480.db2.gz BUHMHSSHVYHEPB-UHFFFAOYSA-N 1 1 371.843 4.201 20 30 FIEDMO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610914 1092989958 /nfs/dbraw/zinc/98/99/58/1092989958.db2.gz GDYBZGRVFXYMEL-INIZCTEOSA-N 1 1 356.441 4.272 20 30 FIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3F)CC2)c1 ZINC000512617285 1092996276 /nfs/dbraw/zinc/99/62/76/1092996276.db2.gz LTNJQMUBNDZEIX-UHFFFAOYSA-N 1 1 371.843 4.201 20 30 FIEDMO CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000512622454 1092999668 /nfs/dbraw/zinc/99/96/68/1092999668.db2.gz AYBDEASUVFTDCR-OXQOHEQNSA-N 1 1 351.469 4.185 20 30 FIEDMO CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000512622454 1092999672 /nfs/dbraw/zinc/99/96/72/1092999672.db2.gz AYBDEASUVFTDCR-OXQOHEQNSA-N 1 1 351.469 4.185 20 30 FIEDMO Cn1cc([C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)cn1 ZINC000614159645 1093014001 /nfs/dbraw/zinc/01/40/01/1093014001.db2.gz KGQAXYLBGVOLQL-FGZHOGPDSA-N 1 1 360.436 4.187 20 30 FIEDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166383 1093035570 /nfs/dbraw/zinc/03/55/70/1093035570.db2.gz FPCZQYZRHNJCQU-UHFFFAOYSA-N 1 1 350.462 4.053 20 30 FIEDMO COc1cccc([C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)c1 ZINC000512642855 1093067053 /nfs/dbraw/zinc/06/70/53/1093067053.db2.gz SYQOTNABFCXWTG-KSFYIVLOSA-N 1 1 367.468 4.194 20 30 FIEDMO COc1cccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)c1 ZINC000512642856 1093067318 /nfs/dbraw/zinc/06/73/18/1093067318.db2.gz SYQOTNABFCXWTG-OPAMFIHVSA-N 1 1 367.468 4.194 20 30 FIEDMO Cc1cc(N2CCC(/N=C/c3c(O)ccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000178705795 1093127732 /nfs/dbraw/zinc/12/77/32/1093127732.db2.gz REDZZNDQUOJPNS-OEAKJJBVSA-N 1 1 360.461 4.040 20 30 FIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000522162812 1093132329 /nfs/dbraw/zinc/13/23/29/1093132329.db2.gz BQKYTFJWEPSYAU-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO C[C@@H](c1cccc(NCC#Cc2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000443538769 1093250325 /nfs/dbraw/zinc/25/03/25/1093250325.db2.gz MMZWPADRTZMWBE-KRWDZBQOSA-N 1 1 354.881 4.197 20 30 FIEDMO N#Cc1c(Cl)nsc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000142819185 1093280436 /nfs/dbraw/zinc/28/04/36/1093280436.db2.gz FZLZIRDRNQLMDY-NSHDSACASA-N 1 1 352.916 4.054 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000051853102 1093280629 /nfs/dbraw/zinc/28/06/29/1093280629.db2.gz RUCTZIHZTIHHLO-HXUWFJFHSA-N 1 1 367.518 4.449 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000051853102 1093280637 /nfs/dbraw/zinc/28/06/37/1093280637.db2.gz RUCTZIHZTIHHLO-HXUWFJFHSA-N 1 1 367.518 4.449 20 30 FIEDMO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CCC#N ZINC000411543988 1093362000 /nfs/dbraw/zinc/36/20/00/1093362000.db2.gz SPPFLRQBSJJKRX-JTQLQIEISA-N 1 1 350.285 4.445 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433268518 1093511447 /nfs/dbraw/zinc/51/14/47/1093511447.db2.gz LLXANYJADUWYPM-OAHLLOKOSA-N 1 1 373.859 4.246 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433268518 1093511456 /nfs/dbraw/zinc/51/14/56/1093511456.db2.gz LLXANYJADUWYPM-OAHLLOKOSA-N 1 1 373.859 4.246 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433285262 1093553184 /nfs/dbraw/zinc/55/31/84/1093553184.db2.gz HJFMDNCNZGCKCR-PBHICJAKSA-N 1 1 353.853 4.028 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433285262 1093553188 /nfs/dbraw/zinc/55/31/88/1093553188.db2.gz HJFMDNCNZGCKCR-PBHICJAKSA-N 1 1 353.853 4.028 20 30 FIEDMO N#Cc1ccccc1CSCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433303604 1093558839 /nfs/dbraw/zinc/55/88/39/1093558839.db2.gz LJSAHXNLYAUOPH-UHFFFAOYSA-N 1 1 357.426 4.057 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433302788 1093559228 /nfs/dbraw/zinc/55/92/28/1093559228.db2.gz JKCOYBYFNKGKNJ-KRWDZBQOSA-N 1 1 353.853 4.030 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512916621 1093562954 /nfs/dbraw/zinc/56/29/54/1093562954.db2.gz DXMLTTZIACMWEO-ROUUACIJSA-N 1 1 371.525 4.416 20 30 FIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2C)C[C@H]2CCCO2)c1 ZINC000614396671 1093813180 /nfs/dbraw/zinc/81/31/80/1093813180.db2.gz CNGYUDZJMVETGK-JOCHJYFZSA-N 1 1 350.462 4.057 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000614407671 1093829762 /nfs/dbraw/zinc/82/97/62/1093829762.db2.gz WBTMWBWQLUCQTC-FQEVSTJZSA-N 1 1 357.461 4.031 20 30 FIEDMO COC1(OC)CC2(C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C(C)C)C1 ZINC000895988826 1093834362 /nfs/dbraw/zinc/83/43/62/1093834362.db2.gz NZFCLTXMFSKXSD-IBGZPJMESA-N 1 1 356.510 4.097 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000086303093 1093902058 /nfs/dbraw/zinc/90/20/58/1093902058.db2.gz FQJRIBGNVRQMOY-CYBMUJFWSA-N 1 1 363.396 4.074 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430009363 1094027422 /nfs/dbraw/zinc/02/74/22/1094027422.db2.gz BFCFRZPHDDLRSW-UHFFFAOYSA-N 1 1 372.472 4.436 20 30 FIEDMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000513417403 1094115013 /nfs/dbraw/zinc/11/50/13/1094115013.db2.gz VWUJPASODUSDKT-APWZRJJASA-N 1 1 364.445 4.127 20 30 FIEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000467292234 1094330406 /nfs/dbraw/zinc/33/04/06/1094330406.db2.gz RZYLUQADBOHALP-MRXNPFEDSA-N 1 1 355.507 4.209 20 30 FIEDMO CCC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000047740132 1094334683 /nfs/dbraw/zinc/33/46/83/1094334683.db2.gz JBVAUCNHOJSFBJ-UHFFFAOYSA-N 1 1 350.397 4.160 20 30 FIEDMO CCC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000047740132 1094334695 /nfs/dbraw/zinc/33/46/95/1094334695.db2.gz JBVAUCNHOJSFBJ-UHFFFAOYSA-N 1 1 350.397 4.160 20 30 FIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280493775 1094352294 /nfs/dbraw/zinc/35/22/94/1094352294.db2.gz KHQJZKUDHPSEIF-UHFFFAOYSA-N 1 1 355.526 4.072 20 30 FIEDMO CCCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508440154 1094430157 /nfs/dbraw/zinc/43/01/57/1094430157.db2.gz ZLABCJXGFNXAJU-QFIPXVFZSA-N 1 1 361.489 4.075 20 30 FIEDMO N#Cc1c(F)cccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000428299635 1094439299 /nfs/dbraw/zinc/43/92/99/1094439299.db2.gz FQGHBNAYKJDHRV-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO FC(F)(F)Cc1ncc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896225220 1094477353 /nfs/dbraw/zinc/47/73/53/1094477353.db2.gz VVQBTCKFBOQSON-SNVBAGLBSA-N 1 1 362.314 4.114 20 30 FIEDMO O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329165212 1094762863 /nfs/dbraw/zinc/76/28/63/1094762863.db2.gz HFMYICCVWYZDDW-CQSZACIVSA-N 1 1 373.884 4.240 20 30 FIEDMO C[N@@H+]1CC=C(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000329184560 1094771424 /nfs/dbraw/zinc/77/14/24/1094771424.db2.gz FXUVUNLPQCFPGV-UHFFFAOYSA-N 1 1 361.530 4.300 20 30 FIEDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCCS2)C1 ZINC000329336361 1094847476 /nfs/dbraw/zinc/84/74/76/1094847476.db2.gz PETWFGASVZQQKP-NVXWUHKLSA-N 1 1 361.511 4.308 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC(=O)N1 ZINC000329455649 1094915963 /nfs/dbraw/zinc/91/59/63/1094915963.db2.gz PVXHMAVTTCMMLJ-ZDRJDWQYSA-N 1 1 363.889 4.187 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC(=O)N1 ZINC000329455649 1094915964 /nfs/dbraw/zinc/91/59/64/1094915964.db2.gz PVXHMAVTTCMMLJ-ZDRJDWQYSA-N 1 1 363.889 4.187 20 30 FIEDMO C[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000329529298 1094953472 /nfs/dbraw/zinc/95/34/72/1094953472.db2.gz VDPXAMLUUNSQQQ-MNNVXMFVSA-N 1 1 361.530 4.299 20 30 FIEDMO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329629939 1095020547 /nfs/dbraw/zinc/02/05/47/1095020547.db2.gz QOISNNJJEAXDRB-NSHGMRRFSA-N 1 1 371.525 4.407 20 30 FIEDMO C=CCN1CC[C@H]([N@H+](Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)C1=O ZINC001168045127 1095024836 /nfs/dbraw/zinc/02/48/36/1095024836.db2.gz XAJROVMGTHYONW-PKTZIBPZSA-N 1 1 360.501 4.271 20 30 FIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cc1F ZINC000618805601 1095027814 /nfs/dbraw/zinc/02/78/14/1095027814.db2.gz ITBXGHRNAXTGIF-QFYYESIMSA-N 1 1 360.230 4.193 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(C4CC4)CCOCC3)c2)C[C@H](C)O1 ZINC000329646207 1095050665 /nfs/dbraw/zinc/05/06/65/1095050665.db2.gz ZRPYDDJVHMFPNM-CALCHBBNSA-N 1 1 372.509 4.091 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(C4CC4)CCOCC3)c2)C[C@H](C)O1 ZINC000329646207 1095050674 /nfs/dbraw/zinc/05/06/74/1095050674.db2.gz ZRPYDDJVHMFPNM-CALCHBBNSA-N 1 1 372.509 4.091 20 30 FIEDMO C=CC[C@H](C)NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443872826 1095139691 /nfs/dbraw/zinc/13/96/91/1095139691.db2.gz BEPYSINRRMMSSH-KRWDZBQOSA-N 1 1 361.489 4.048 20 30 FIEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000420922299 1095164836 /nfs/dbraw/zinc/16/48/36/1095164836.db2.gz FFOPQHCAOKWLOE-HXUWFJFHSA-N 1 1 371.481 4.185 20 30 FIEDMO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccsc1 ZINC000421020033 1095252703 /nfs/dbraw/zinc/25/27/03/1095252703.db2.gz YMOUBRYFHCTTDN-QGZVFWFLSA-N 1 1 355.507 4.466 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccsc1 ZINC000421020033 1095252731 /nfs/dbraw/zinc/25/27/31/1095252731.db2.gz YMOUBRYFHCTTDN-QGZVFWFLSA-N 1 1 355.507 4.466 20 30 FIEDMO CCN(CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037839 1095254767 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Clc1ccc(C#CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000426395656 1101473188 /nfs/dbraw/zinc/47/31/88/1101473188.db2.gz KKAIBMYOOKNNCD-YWEYNIOJSA-N 1 1 350.893 4.023 20 30 FIEDMO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccc(C#N)cc1 ZINC000130353846 1101620439 /nfs/dbraw/zinc/62/04/39/1101620439.db2.gz GFJYHNJGQSXXDF-GFCCVEGCSA-N 1 1 358.367 4.315 20 30 FIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000610281866 1101713405 /nfs/dbraw/zinc/71/34/05/1101713405.db2.gz SOEVZZHSLPZPGJ-GOSISDBHSA-N 1 1 359.395 4.288 20 30 FIEDMO CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000537400644 1101748263 /nfs/dbraw/zinc/74/82/63/1101748263.db2.gz FODDLHZAKGDPRL-KSFYIVLOSA-N 1 1 369.484 4.440 20 30 FIEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000760408075 1101960927 /nfs/dbraw/zinc/96/09/27/1101960927.db2.gz LXRRGOZYSDLUCF-FQEVSTJZSA-N 1 1 351.498 4.373 20 30 FIEDMO N#CCCn1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c(-c2ccccc2)n1 ZINC000424204273 1102216552 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FIEDMO CC(C)(C)C[N@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111250886 1102493847 /nfs/dbraw/zinc/49/38/47/1102493847.db2.gz VBZAAZJPYGNBLE-UHFFFAOYSA-N 1 1 356.426 4.054 20 30 FIEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111250886 1102493855 /nfs/dbraw/zinc/49/38/55/1102493855.db2.gz VBZAAZJPYGNBLE-UHFFFAOYSA-N 1 1 356.426 4.054 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000532581794 1102503366 /nfs/dbraw/zinc/50/33/66/1102503366.db2.gz VGRMVJKPNLWNJP-YJBOKZPZSA-N 1 1 359.539 4.387 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)c(F)c1 ZINC000532587399 1102506522 /nfs/dbraw/zinc/50/65/22/1102506522.db2.gz OJZTVGOTEFXSMF-UHFFFAOYSA-N 1 1 351.356 4.314 20 30 FIEDMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000026259872 1102522168 /nfs/dbraw/zinc/52/21/68/1102522168.db2.gz ULLPOUPNFTYPPC-UHFFFAOYSA-N 1 1 373.456 4.181 20 30 FIEDMO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000473684990 1102527885 /nfs/dbraw/zinc/52/78/85/1102527885.db2.gz AYBSXIXIOMNIDQ-QFIPXVFZSA-N 1 1 367.493 4.025 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000303819381 1102566869 /nfs/dbraw/zinc/56/68/69/1102566869.db2.gz JTIGEINFTUSCSS-UHFFFAOYSA-N 1 1 364.367 4.096 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H]2CSc3ccc(Br)cc32)c(F)c1 ZINC000486796256 1102929048 /nfs/dbraw/zinc/92/90/48/1102929048.db2.gz AXUNIWGWGRDIJL-HNNXBMFYSA-N 1 1 363.255 4.396 20 30 FIEDMO C=CCOc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1Cl ZINC000551230221 1103003251 /nfs/dbraw/zinc/00/32/51/1103003251.db2.gz QFBSWKVFRZTIMS-FQEVSTJZSA-N 1 1 374.912 4.306 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2OC)no1 ZINC001211975673 1103134600 /nfs/dbraw/zinc/13/46/00/1103134600.db2.gz NFHMERWHXHPBCB-AEFFLSMTSA-N 1 1 373.497 4.132 20 30 FIEDMO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001211976047 1103138959 /nfs/dbraw/zinc/13/89/59/1103138959.db2.gz XXDSBVXKCPIKEV-MOPGFXCFSA-N 1 1 371.481 4.017 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001211976047 1103138965 /nfs/dbraw/zinc/13/89/65/1103138965.db2.gz XXDSBVXKCPIKEV-MOPGFXCFSA-N 1 1 371.481 4.017 20 30 FIEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000507161836 1103160854 /nfs/dbraw/zinc/16/08/54/1103160854.db2.gz BBQJCHVXQSMDKB-UXHICEINSA-N 1 1 361.489 4.120 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c(C#N)c1C ZINC000427028497 1103179195 /nfs/dbraw/zinc/17/91/95/1103179195.db2.gz MMHUPSOTTSSIOQ-CQSZACIVSA-N 1 1 355.507 4.047 20 30 FIEDMO CC[N@@H+](C[C@@H](O)COCc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000507709171 1103644100 /nfs/dbraw/zinc/64/41/00/1103644100.db2.gz SMTCHIQIBUSUFZ-OXQOHEQNSA-N 1 1 372.896 4.172 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)sc2c1CCCCC2 ZINC000477625892 1103735430 /nfs/dbraw/zinc/73/54/30/1103735430.db2.gz JOKIVKQVQMFNLY-SFHVURJKSA-N 1 1 371.550 4.482 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(F)cc1C(F)(F)F 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CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000331270641 1104709635 /nfs/dbraw/zinc/70/96/35/1104709635.db2.gz GANZKDZOTDSEHO-IKGGRYGDSA-N 1 1 374.554 4.288 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000331280748 1104710378 /nfs/dbraw/zinc/71/03/78/1104710378.db2.gz IGASFNHFHPBNPB-ULQDDVLXSA-N 1 1 374.554 4.431 20 30 FIEDMO CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000331309011 1104712106 /nfs/dbraw/zinc/71/21/06/1104712106.db2.gz YEOJFQWBEDCOLS-WBVHZDCISA-N 1 1 374.529 4.084 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427906188 1105314743 /nfs/dbraw/zinc/31/47/43/1105314743.db2.gz GWSAHERREUUBIU-AWEZNQCLSA-N 1 1 368.868 4.233 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451148172 1106947945 /nfs/dbraw/zinc/94/79/45/1106947945.db2.gz PJRWZERYFGTLEX-UHFFFAOYSA-N 1 1 362.351 4.244 20 30 FIEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000530475487 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359.823 4.060 20 30 FIEDMO COc1ccc2cc(C[N@@H+](C)CCCC3(C#N)CCOCC3)ccc2c1 ZINC000282009724 1107831939 /nfs/dbraw/zinc/83/19/39/1107831939.db2.gz OGDPWIQUQOFPBA-UHFFFAOYSA-N 1 1 352.478 4.381 20 30 FIEDMO COC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccco1 ZINC000193117136 1107949257 /nfs/dbraw/zinc/94/92/57/1107949257.db2.gz ARTHGDNCRHCYLE-OAQYLSRUSA-N 1 1 360.457 4.457 20 30 FIEDMO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000444745244 1108147922 /nfs/dbraw/zinc/14/79/22/1108147922.db2.gz SZNCUXHCNWKBEQ-ZJUUUORDSA-N 1 1 369.227 4.212 20 30 FIEDMO C=CC[C@H]1[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CCCC1(C)C ZINC000444786745 1108188440 /nfs/dbraw/zinc/18/84/40/1108188440.db2.gz VMAFZPHHWAFFJN-GOSISDBHSA-N 1 1 369.534 4.476 20 30 FIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1(C)C ZINC000444794845 1108189667 /nfs/dbraw/zinc/18/96/67/1108189667.db2.gz WMZZPOZXMZSJGT-INIZCTEOSA-N 1 1 356.426 4.212 20 30 FIEDMO N#Cc1c(C[N@H+](Cc2ccccc2)CC2CCOCC2)cn2ccccc12 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COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(OCc2cccnc2)c1 ZINC000447797378 1109643157 /nfs/dbraw/zinc/64/31/57/1109643157.db2.gz JJGYNWQIWQHYIW-UHFFFAOYSA-N 1 1 373.456 4.173 20 30 FIEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](Cc3ccco3)C3CCCC3)C2=O)cc1 ZINC000447851429 1109659607 /nfs/dbraw/zinc/65/96/07/1109659607.db2.gz RLGLDJLJQNTOBB-NRFANRHFSA-N 1 1 363.461 4.091 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)c(C#N)c1C ZINC000448014406 1109700167 /nfs/dbraw/zinc/70/01/67/1109700167.db2.gz CIGKZYJHHAUMMN-IBGZPJMESA-N 1 1 351.450 4.161 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2C)c(C#N)c1C ZINC000448014406 1109700169 /nfs/dbraw/zinc/70/01/69/1109700169.db2.gz CIGKZYJHHAUMMN-IBGZPJMESA-N 1 1 351.450 4.161 20 30 FIEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000448452339 1109796767 /nfs/dbraw/zinc/79/67/67/1109796767.db2.gz MMUSPVMTYBDYRK-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000448452339 1109796769 /nfs/dbraw/zinc/79/67/69/1109796769.db2.gz MMUSPVMTYBDYRK-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO CN(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000527805843 1109832091 /nfs/dbraw/zinc/83/20/91/1109832091.db2.gz BDOJMVVJZHTQPQ-MRXNPFEDSA-N 1 1 354.306 4.319 20 30 FIEDMO COc1cccc([C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC2(C)C)c1 ZINC000528625209 1110050273 /nfs/dbraw/zinc/05/02/73/1110050273.db2.gz OMETURXWGFYECU-FQEVSTJZSA-N 1 1 356.510 4.221 20 30 FIEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2C)cc1OCCCC#N ZINC000449381539 1110052846 /nfs/dbraw/zinc/05/28/46/1110052846.db2.gz SNFHDMFENFPKKH-UHFFFAOYSA-N 1 1 352.478 4.361 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000528659013 1110065803 /nfs/dbraw/zinc/06/58/03/1110065803.db2.gz NLYDHEOXTAZPPP-GOSISDBHSA-N 1 1 356.267 4.347 20 30 FIEDMO COc1ccc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OCCCC#N ZINC000449454228 1110075093 /nfs/dbraw/zinc/07/50/93/1110075093.db2.gz YVOBZNOSIDXCFZ-GHDARCQNSA-N 1 1 352.478 4.022 20 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WRYPUEPVXIIXMD-DHIUTWEWSA-N 1 1 356.473 4.453 20 30 FIEDMO CCCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000478034771 1111648101 /nfs/dbraw/zinc/64/81/01/1111648101.db2.gz RWFCXTHWEYLRBM-GOSISDBHSA-N 1 1 370.518 4.195 20 30 FIEDMO CCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000478034771 1111648105 /nfs/dbraw/zinc/64/81/05/1111648105.db2.gz RWFCXTHWEYLRBM-GOSISDBHSA-N 1 1 370.518 4.195 20 30 FIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)C2CC2)c1C#N ZINC000552796183 1111815820 /nfs/dbraw/zinc/81/58/20/1111815820.db2.gz SNRJNORQYJPSKN-INIZCTEOSA-N 1 1 356.514 4.151 20 30 FIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000553451958 1111977554 /nfs/dbraw/zinc/97/75/54/1111977554.db2.gz BQOXLOGAUOEQTQ-NRFANRHFSA-N 1 1 372.557 4.166 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520355 1111998178 /nfs/dbraw/zinc/99/81/78/1111998178.db2.gz XGGHSVZPVHWWNY-RTBURBONSA-N 1 1 362.502 4.420 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520355 1111998179 /nfs/dbraw/zinc/99/81/79/1111998179.db2.gz XGGHSVZPVHWWNY-RTBURBONSA-N 1 1 362.502 4.420 20 30 FIEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc1OC ZINC000479392717 1112010929 /nfs/dbraw/zinc/01/09/29/1112010929.db2.gz OTZKGSKDFVJEKG-UHFFFAOYSA-N 1 1 371.868 4.090 20 30 FIEDMO C=CCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000479508802 1112051053 /nfs/dbraw/zinc/05/10/53/1112051053.db2.gz DJKUZVYLUUQDGN-LJQANCHMSA-N 1 1 354.519 4.320 20 30 FIEDMO C=CCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000479508802 1112051058 /nfs/dbraw/zinc/05/10/58/1112051058.db2.gz DJKUZVYLUUQDGN-LJQANCHMSA-N 1 1 354.519 4.320 20 30 FIEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H](C)C1 ZINC000554126560 1112213996 /nfs/dbraw/zinc/21/39/96/1112213996.db2.gz DDRWMOAZNFXTIC-IUKKYPGJSA-N 1 1 373.500 4.028 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480515427 1112460674 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1112925600 /nfs/dbraw/zinc/92/56/00/1112925600.db2.gz PTVXTEUBQHINFL-UHFFFAOYSA-N 1 1 356.473 4.020 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000481568630 1112984614 /nfs/dbraw/zinc/98/46/14/1112984614.db2.gz KJDSJLQXPWUZEM-GJRWTSMGSA-N 1 1 350.453 4.350 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000481609110 1112993959 /nfs/dbraw/zinc/99/39/59/1112993959.db2.gz NGRPJTPUWJPPLZ-FOIQADDNSA-N 1 1 358.432 4.219 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000481609114 1112994060 /nfs/dbraw/zinc/99/40/60/1112994060.db2.gz NGRPJTPUWJPPLZ-QRWLVFNGSA-N 1 1 358.432 4.219 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000481622960 1112999149 /nfs/dbraw/zinc/99/91/49/1112999149.db2.gz MZSRDMWRYJWPFX-OAQYLSRUSA-N 1 1 358.432 4.220 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Br)cn1 ZINC000482961384 1113408271 /nfs/dbraw/zinc/40/82/71/1113408271.db2.gz MYPXDHBXAKNCTR-SNVBAGLBSA-N 1 1 350.647 4.220 20 30 FIEDMO CCC1(Cc2ccccc2)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000483128317 1113448237 /nfs/dbraw/zinc/44/82/37/1113448237.db2.gz IAQKJSJADZXBFJ-UHFFFAOYSA-N 1 1 367.518 4.293 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](Cc2cn(C(C)(C)C)nn2)C(C)(C)C)cc1 ZINC000483149362 1113454823 /nfs/dbraw/zinc/45/48/23/1113454823.db2.gz DHTGSTARCSIDAW-UHFFFAOYSA-N 1 1 356.514 4.399 20 30 FIEDMO C=CCOc1ccc(C[N@H+](Cc2cn(C(C)(C)C)nn2)C(C)(C)C)cc1 ZINC000483149362 1113454825 /nfs/dbraw/zinc/45/48/25/1113454825.db2.gz DHTGSTARCSIDAW-UHFFFAOYSA-N 1 1 356.514 4.399 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000483258824 1113475585 /nfs/dbraw/zinc/47/55/85/1113475585.db2.gz CRXXDCMUGMRPFV-UHFFFAOYSA-N 1 1 363.383 4.305 20 30 FIEDMO Cc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)n2)ccc1F ZINC000483264181 1113476373 /nfs/dbraw/zinc/47/63/73/1113476373.db2.gz VSCFTJAIEMLOAP-UHFFFAOYSA-N 1 1 364.424 4.466 20 30 FIEDMO Cc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2)ccc1F ZINC000483264181 1113476375 /nfs/dbraw/zinc/47/63/75/1113476375.db2.gz VSCFTJAIEMLOAP-UHFFFAOYSA-N 1 1 364.424 4.466 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483267199 1113477237 /nfs/dbraw/zinc/47/72/37/1113477237.db2.gz BXNNJJWGSOCCLM-MRXNPFEDSA-N 1 1 372.749 4.193 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CC2CC2)CC2CCC2)c1C ZINC000483286941 1113480776 /nfs/dbraw/zinc/48/07/76/1113480776.db2.gz UHONMGCKYNJPIK-UHFFFAOYSA-N 1 1 353.510 4.062 20 30 FIEDMO C=CCSc1ccccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000486555060 1113594499 /nfs/dbraw/zinc/59/44/99/1113594499.db2.gz HUUJNGFFCKJQHG-XLIONFOSSA-N 1 1 366.530 4.215 20 30 FIEDMO C=CCCCCC[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000488222835 1113883527 /nfs/dbraw/zinc/88/35/27/1113883527.db2.gz PTIIHMYESIYWCV-QGZVFWFLSA-N 1 1 351.560 4.105 20 30 FIEDMO Cc1cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)ccc1C#N ZINC000488305352 1113908284 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FIEDMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000489712552 1114160230 /nfs/dbraw/zinc/16/02/30/1114160230.db2.gz IVKGYTBYOAHVMN-JOCHJYFZSA-N 1 1 371.440 4.036 20 30 FIEDMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000489712554 1114160323 /nfs/dbraw/zinc/16/03/23/1114160323.db2.gz IVKGYTBYOAHVMN-QFIPXVFZSA-N 1 1 371.440 4.036 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1 ZINC000489783892 1114172058 /nfs/dbraw/zinc/17/20/58/1114172058.db2.gz WVARSZXBZTVTSN-JYAXBFRTSA-N 1 1 355.526 4.066 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489901471 1114184742 /nfs/dbraw/zinc/18/47/42/1114184742.db2.gz QYJIIKGAUOVGER-CZUORRHYSA-N 1 1 362.399 4.251 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489901469 1114185000 /nfs/dbraw/zinc/18/50/00/1114185000.db2.gz QYJIIKGAUOVGER-BBRMVZONSA-N 1 1 362.399 4.251 20 30 FIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccc1F ZINC000490007480 1114201542 /nfs/dbraw/zinc/20/15/42/1114201542.db2.gz BHIQRWNHIHNPQD-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000490057038 1114210989 /nfs/dbraw/zinc/21/09/89/1114210989.db2.gz SFHZDBXJMCJKQK-UZLBHIALSA-N 1 1 358.445 4.295 20 30 FIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000490054029 1114211141 /nfs/dbraw/zinc/21/11/41/1114211141.db2.gz NNZUOOWFPWKVDU-OXJNMPFZSA-N 1 1 358.445 4.295 20 30 FIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000490166491 1114228325 /nfs/dbraw/zinc/22/83/25/1114228325.db2.gz YBELKHLWQGWUPZ-NRFANRHFSA-N 1 1 360.461 4.144 20 30 FIEDMO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000490247160 1114244926 /nfs/dbraw/zinc/24/49/26/1114244926.db2.gz KDKGPSYMNHKCNO-INIZCTEOSA-N 1 1 355.507 4.208 20 30 FIEDMO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000490247160 1114244931 /nfs/dbraw/zinc/24/49/31/1114244931.db2.gz KDKGPSYMNHKCNO-INIZCTEOSA-N 1 1 355.507 4.208 20 30 FIEDMO C[N@H+]1CC[C@@H](CNC(=O)CCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588162849 1114531477 /nfs/dbraw/zinc/53/14/77/1114531477.db2.gz JYSCQMIRZXTXHX-HNAYVOBHSA-N 1 1 365.880 4.062 20 30 FIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)o1 ZINC000164775467 1114575362 /nfs/dbraw/zinc/57/53/62/1114575362.db2.gz LVWUUOWLYRQVGK-HNAYVOBHSA-N 1 1 363.461 4.268 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C#N)c1C ZINC000588982840 1114685379 /nfs/dbraw/zinc/68/53/79/1114685379.db2.gz ADZDQVYJVBTSAZ-BETUJISGSA-N 1 1 373.444 4.228 20 30 FIEDMO N#CC1(c2ccccc2)CCC([NH2+]C2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000590052542 1114884769 /nfs/dbraw/zinc/88/47/69/1114884769.db2.gz DRDTUVDDLJKPQE-UHFFFAOYSA-N 1 1 372.419 4.380 20 30 FIEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000590132249 1114903290 /nfs/dbraw/zinc/90/32/90/1114903290.db2.gz CVFLNFCSROTMFC-UHFFFAOYSA-N 1 1 367.518 4.096 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000057567045 1114952342 /nfs/dbraw/zinc/95/23/42/1114952342.db2.gz XTFGQRNICCPWEN-JOCHJYFZSA-N 1 1 374.484 4.362 20 30 FIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653763 1114959997 /nfs/dbraw/zinc/95/99/97/1114959997.db2.gz NSQGPRZVTSERHM-KOSHJBKYSA-N 1 1 359.517 4.231 20 30 FIEDMO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653763 1114959999 /nfs/dbraw/zinc/95/99/99/1114959999.db2.gz NSQGPRZVTSERHM-KOSHJBKYSA-N 1 1 359.517 4.231 20 30 FIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CCOCC1 ZINC000590741495 1114971404 /nfs/dbraw/zinc/97/14/04/1114971404.db2.gz PBZITNSGTYGLLA-GOSISDBHSA-N 1 1 372.900 4.454 20 30 FIEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000590741495 1114971406 /nfs/dbraw/zinc/97/14/06/1114971406.db2.gz PBZITNSGTYGLLA-GOSISDBHSA-N 1 1 372.900 4.454 20 30 FIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCOCC1 ZINC000590741495 1114971408 /nfs/dbraw/zinc/97/14/08/1114971408.db2.gz PBZITNSGTYGLLA-GOSISDBHSA-N 1 1 372.900 4.454 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063306 1115021456 /nfs/dbraw/zinc/02/14/56/1115021456.db2.gz ORJJOUUOKUAPNK-RDJZCZTQSA-N 1 1 357.523 4.141 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063307 1115021761 /nfs/dbraw/zinc/02/17/61/1115021761.db2.gz ORJJOUUOKUAPNK-WBVHZDCISA-N 1 1 357.523 4.141 20 30 FIEDMO N#Cc1cnccc1C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000592106988 1115201649 /nfs/dbraw/zinc/20/16/49/1115201649.db2.gz BNJGYUXQXAWYNM-QGZVFWFLSA-N 1 1 360.230 4.096 20 30 FIEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000592121087 1115204029 /nfs/dbraw/zinc/20/40/29/1115204029.db2.gz MVLMBQZCCVQNOX-UHFFFAOYSA-N 1 1 356.267 4.095 20 30 FIEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592154721 1115212346 /nfs/dbraw/zinc/21/23/46/1115212346.db2.gz UHMIOFKBGNZOAU-QZTJIDSGSA-N 1 1 350.466 4.256 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000592761494 1115264093 /nfs/dbraw/zinc/26/40/93/1115264093.db2.gz PDSIQDLAANOKPQ-RISCZKNCSA-N 1 1 365.264 4.084 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000592763438 1115264461 /nfs/dbraw/zinc/26/44/61/1115264461.db2.gz SDORZZIOTBRACM-XHDPSFHLSA-N 1 1 365.264 4.084 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000593030918 1115280622 /nfs/dbraw/zinc/28/06/22/1115280622.db2.gz QMORXOHKQRHSPJ-HNNXBMFYSA-N 1 1 353.344 4.021 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000593030918 1115280624 /nfs/dbraw/zinc/28/06/24/1115280624.db2.gz QMORXOHKQRHSPJ-HNNXBMFYSA-N 1 1 353.344 4.021 20 30 FIEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000593035329 1115280757 /nfs/dbraw/zinc/28/07/57/1115280757.db2.gz SSVJXSZVKAROAH-MRXNPFEDSA-N 1 1 370.478 4.083 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2(C#N)CCCC2)c1 ZINC000593146584 1115303060 /nfs/dbraw/zinc/30/30/60/1115303060.db2.gz MYMQPYIOHHFVNJ-UHFFFAOYSA-N 1 1 365.481 4.260 20 30 FIEDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000593158695 1115304157 /nfs/dbraw/zinc/30/41/57/1115304157.db2.gz DCEHKBZBPAENNN-INIZCTEOSA-N 1 1 362.543 4.038 20 30 FIEDMO CC[N@@H+](CCCNC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000593251109 1115309619 /nfs/dbraw/zinc/30/96/19/1115309619.db2.gz PPEWFOXACLYRDG-UHFFFAOYSA-N 1 1 353.510 4.016 20 30 FIEDMO N#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000594306532 1115411051 /nfs/dbraw/zinc/41/10/51/1115411051.db2.gz LQXAFXQSGURDRI-UHFFFAOYSA-N 1 1 353.510 4.118 20 30 FIEDMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000594606297 1115470346 /nfs/dbraw/zinc/47/03/46/1115470346.db2.gz JSUIOKJBPVYBES-UHFFFAOYSA-N 1 1 373.298 4.117 20 30 FIEDMO N#CC1(c2ccc(CNC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000594914433 1115489189 /nfs/dbraw/zinc/48/91/89/1115489189.db2.gz IFUVCLOVPFMDQP-UHFFFAOYSA-N 1 1 359.517 4.038 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000593016404 1115537386 /nfs/dbraw/zinc/53/73/86/1115537386.db2.gz OSYKAXKYAUQZGK-UHFFFAOYSA-N 1 1 361.323 4.264 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621447 1115551448 /nfs/dbraw/zinc/55/14/48/1115551448.db2.gz VASMPQLJIKYUGF-FXAWDEMLSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621447 1115551452 /nfs/dbraw/zinc/55/14/52/1115551452.db2.gz VASMPQLJIKYUGF-FXAWDEMLSA-N 1 1 358.445 4.452 20 30 FIEDMO COc1ccc(-n2c3ccccc3nc2C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595620795 1115551539 /nfs/dbraw/zinc/55/15/39/1115551539.db2.gz QVHVDESQEKTZRE-QGZVFWFLSA-N 1 1 360.461 4.160 20 30 FIEDMO COc1ccc(-n2c3ccccc3nc2C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595620795 1115551542 /nfs/dbraw/zinc/55/15/42/1115551542.db2.gz QVHVDESQEKTZRE-QGZVFWFLSA-N 1 1 360.461 4.160 20 30 FIEDMO CC(C)([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(C#N)c1 ZINC000595638380 1115552849 /nfs/dbraw/zinc/55/28/49/1115552849.db2.gz CHTXOUREUJQHFC-UHFFFAOYSA-N 1 1 374.463 4.397 20 30 FIEDMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595609832 1115553158 /nfs/dbraw/zinc/55/31/58/1115553158.db2.gz PVAIFAOQDNFNJT-LAUBAEHRSA-N 1 1 363.461 4.001 20 30 FIEDMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595609832 1115553163 /nfs/dbraw/zinc/55/31/63/1115553163.db2.gz PVAIFAOQDNFNJT-LAUBAEHRSA-N 1 1 363.461 4.001 20 30 FIEDMO CC1(C)C[C@@H]([N@@H+](CCCC2(C#N)CCOCC2)Cc2ccccc2)CO1 ZINC000595639404 1115554355 /nfs/dbraw/zinc/55/43/55/1115554355.db2.gz XMCLKXIPCQHORT-HXUWFJFHSA-N 1 1 356.510 4.157 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595785684 1115563258 /nfs/dbraw/zinc/56/32/58/1115563258.db2.gz FYZQKGKDQUXHKW-CRAIPNDOSA-N 1 1 363.299 4.102 20 30 FIEDMO Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)c(C#N)c(N[C@H]2CC[C@@H](CC#N)C2)[nH+]1 ZINC000596251697 1115580621 /nfs/dbraw/zinc/58/06/21/1115580621.db2.gz WTPIHMIPNAKGNT-XSLAGTTESA-N 1 1 362.481 4.250 20 30 FIEDMO CC(C)Oc1ccc(CC#N)cc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000596637882 1115605965 /nfs/dbraw/zinc/60/59/65/1115605965.db2.gz YBPBZSTZBYBCLY-UHFFFAOYSA-N 1 1 350.462 4.039 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000596639718 1115606289 /nfs/dbraw/zinc/60/62/89/1115606289.db2.gz SSEQTELAXKZJJG-OAQYLSRUSA-N 1 1 354.498 4.219 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000596701692 1115608992 /nfs/dbraw/zinc/60/89/92/1115608992.db2.gz XSACGBKBDQKFHE-QGZVFWFLSA-N 1 1 365.481 4.212 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984877 1115631872 /nfs/dbraw/zinc/63/18/72/1115631872.db2.gz WOHZDCWLHKPXNK-JTSKRJEESA-N 1 1 350.462 4.309 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)cc2)CC1 ZINC000597128389 1115642264 /nfs/dbraw/zinc/64/22/64/1115642264.db2.gz CUVHOTYLSALNBO-LJQANCHMSA-N 1 1 360.505 4.154 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)cc2)CC1 ZINC000597133805 1115642677 /nfs/dbraw/zinc/64/26/77/1115642677.db2.gz ZRRNFGNSPVAADW-HSZRJFAPSA-N 1 1 360.501 4.059 20 30 FIEDMO CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000060477524 1115645716 /nfs/dbraw/zinc/64/57/16/1115645716.db2.gz GKQXDEQVDFBRNG-CQSZACIVSA-N 1 1 373.403 4.181 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000060477524 1115645718 /nfs/dbraw/zinc/64/57/18/1115645718.db2.gz GKQXDEQVDFBRNG-CQSZACIVSA-N 1 1 373.403 4.181 20 30 FIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCOc4ccccc4C#N)CC3)c2c1 ZINC000060478002 1115645780 /nfs/dbraw/zinc/64/57/80/1115645780.db2.gz LTPKZRRWZUXTIO-UHFFFAOYSA-N 1 1 373.456 4.216 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597173928 1115646090 /nfs/dbraw/zinc/64/60/90/1115646090.db2.gz NTKZOPVDZFSIAA-SFHVURJKSA-N 1 1 357.461 4.060 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597389135 1115662421 /nfs/dbraw/zinc/66/24/21/1115662421.db2.gz XNVFZQMXUDMBHR-LJQANCHMSA-N 1 1 359.558 4.354 20 30 FIEDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc(C#N)s3)sc2c1)C1CC1 ZINC000598030253 1115702950 /nfs/dbraw/zinc/70/29/50/1115702950.db2.gz SZRLPZKWQMVWIT-UHFFFAOYSA-N 1 1 368.487 4.076 20 30 FIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598591787 1115738952 /nfs/dbraw/zinc/73/89/52/1115738952.db2.gz BSWKJOQBYWSRQO-RDJZCZTQSA-N 1 1 357.523 4.412 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598595209 1115739390 /nfs/dbraw/zinc/73/93/90/1115739390.db2.gz GYACDUPUKBHCFK-MSOLQXFVSA-N 1 1 368.525 4.097 20 30 FIEDMO N#Cc1cccc(COc2cccc(CNCC[NH+]3CCCCCC3)c2)c1 ZINC000060974278 1115740177 /nfs/dbraw/zinc/74/01/77/1115740177.db2.gz YVEFVSHADFOZQZ-UHFFFAOYSA-N 1 1 363.505 4.103 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000598676904 1115745452 /nfs/dbraw/zinc/74/54/52/1115745452.db2.gz BIOJIABOBOPOGC-OAHLLOKOSA-N 1 1 353.466 4.351 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000598676904 1115745458 /nfs/dbraw/zinc/74/54/58/1115745458.db2.gz BIOJIABOBOPOGC-OAHLLOKOSA-N 1 1 353.466 4.351 20 30 FIEDMO COC(=O)c1sc2cccc(F)c2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000603581246 1115796316 /nfs/dbraw/zinc/79/63/16/1115796316.db2.gz IUEBAPAFAYLJFT-UHFFFAOYSA-N 1 1 368.433 4.331 20 30 FIEDMO COC(=O)c1sc2cccc(F)c2c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000603581246 1115796320 /nfs/dbraw/zinc/79/63/20/1115796320.db2.gz IUEBAPAFAYLJFT-UHFFFAOYSA-N 1 1 368.433 4.331 20 30 FIEDMO CCCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](CC)c1ccccc1 ZINC000599297953 1115806420 /nfs/dbraw/zinc/80/64/20/1115806420.db2.gz YVPMJSUIEJNMLG-LEWJYISDSA-N 1 1 358.526 4.311 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc2c(cc1C#N)CCC2 ZINC000603859521 1115822158 /nfs/dbraw/zinc/82/21/58/1115822158.db2.gz HPIFLABWXUSDJA-KRWDZBQOSA-N 1 1 360.505 4.428 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599672924 1115834785 /nfs/dbraw/zinc/83/47/85/1115834785.db2.gz KBDUHJWKYNAGKX-INIZCTEOSA-N 1 1 357.523 4.285 20 30 FIEDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000599654299 1115835703 /nfs/dbraw/zinc/83/57/03/1115835703.db2.gz YUKCDVZBKAVQMD-XJKSGUPXSA-N 1 1 356.267 4.094 20 30 FIEDMO CCCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000604493650 1115868145 /nfs/dbraw/zinc/86/81/45/1115868145.db2.gz VFEOVQUYQZZJMC-IEBWSBKVSA-N 1 1 356.466 4.063 20 30 FIEDMO N#CCOc1ccc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000171769579 1115874920 /nfs/dbraw/zinc/87/49/20/1115874920.db2.gz FXEWGOHZAKJIRB-UHFFFAOYSA-N 1 1 353.422 4.141 20 30 FIEDMO COc1ccc(Br)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594033557 1115969197 /nfs/dbraw/zinc/96/91/97/1115969197.db2.gz SQKHAILMVQVODD-UHFFFAOYSA-N 1 1 371.278 4.498 20 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/nfs/dbraw/zinc/15/95/97/1116159597.db2.gz LPBIIOHMFPUNQU-UHFFFAOYSA-N 1 1 364.449 4.476 20 30 FIEDMO COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000442689205 1116258642 /nfs/dbraw/zinc/25/86/42/1116258642.db2.gz RXGLBTIYDJBEPN-INIZCTEOSA-N 1 1 354.450 4.037 20 30 FIEDMO CC(C)[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccn1 ZINC000535081714 1116265472 /nfs/dbraw/zinc/26/54/72/1116265472.db2.gz HMWCMWSBNAOTME-UHFFFAOYSA-N 1 1 359.477 4.269 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)c1C#N ZINC000535224706 1116285343 /nfs/dbraw/zinc/28/53/43/1116285343.db2.gz GTAVDNMQHMBWPZ-IBGZPJMESA-N 1 1 356.853 4.485 20 30 FIEDMO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000609075648 1116305163 /nfs/dbraw/zinc/30/51/63/1116305163.db2.gz NMZVKZSGMMOKSL-UHFFFAOYSA-N 1 1 355.507 4.052 20 30 FIEDMO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000609075648 1116305164 /nfs/dbraw/zinc/30/51/64/1116305164.db2.gz NMZVKZSGMMOKSL-UHFFFAOYSA-N 1 1 355.507 4.052 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000535509436 1116313733 /nfs/dbraw/zinc/31/37/33/1116313733.db2.gz SHVTXZJAHBKURI-KRWDZBQOSA-N 1 1 367.306 4.206 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508847052 1116321629 /nfs/dbraw/zinc/32/16/29/1116321629.db2.gz TYQQMOVTZFLOIV-SFHVURJKSA-N 1 1 359.562 4.068 20 30 FIEDMO N#Cc1cccc(-c2c[nH]c(CNc3cc[nH+]c4ccc(Cl)cc34)n2)c1 ZINC000539612185 1116352526 /nfs/dbraw/zinc/35/25/26/1116352526.db2.gz FPMNPUVIMNNGHQ-UHFFFAOYSA-N 1 1 359.820 4.184 20 30 FIEDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000539614682 1116352974 /nfs/dbraw/zinc/35/29/74/1116352974.db2.gz ZKGZWIRGHFNVJB-UHFFFAOYSA-N 1 1 373.500 4.058 20 30 FIEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCc3cc(F)ccc3C1)[C@@H]2CC ZINC001168432565 1117749373 /nfs/dbraw/zinc/74/93/73/1117749373.db2.gz OSYRTFQMITVKPY-XJUOHMSHSA-N 1 1 370.512 4.105 20 30 FIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000539926721 1117759762 /nfs/dbraw/zinc/75/97/62/1117759762.db2.gz CLCWAHYGLQFPJX-IBGZPJMESA-N 1 1 372.509 4.313 20 30 FIEDMO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000462875938 1117833959 /nfs/dbraw/zinc/83/39/59/1117833959.db2.gz VCHQLXGLBGPJNB-UHFFFAOYSA-N 1 1 354.885 4.215 20 30 FIEDMO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000428805054 1117963548 /nfs/dbraw/zinc/96/35/48/1117963548.db2.gz IUEFYKSWPVQADT-QGZVFWFLSA-N 1 1 371.868 4.047 20 30 FIEDMO CC(C)Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000428805054 1117963552 /nfs/dbraw/zinc/96/35/52/1117963552.db2.gz IUEFYKSWPVQADT-QGZVFWFLSA-N 1 1 371.868 4.047 20 30 FIEDMO N#Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1F ZINC000540349453 1117996439 /nfs/dbraw/zinc/99/64/39/1117996439.db2.gz QKDBVVJDKKSDSX-UNMCSNQZSA-N 1 1 363.480 4.184 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463218152 1118041011 /nfs/dbraw/zinc/04/10/11/1118041011.db2.gz IZHLTRNDSZNRDX-CVDCTZTESA-N 1 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Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(CC#N)CC3)c2c1C ZINC000541934569 1118712571 /nfs/dbraw/zinc/71/25/71/1118712571.db2.gz OXPIAYCPXLPGJE-UHFFFAOYSA-N 1 1 369.538 4.034 20 30 FIEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464829200 1118713593 /nfs/dbraw/zinc/71/35/93/1118713593.db2.gz LLZDVYHVBPYBPN-RXVVDRJESA-N 1 1 365.452 4.235 20 30 FIEDMO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464829200 1118713594 /nfs/dbraw/zinc/71/35/94/1118713594.db2.gz LLZDVYHVBPYBPN-RXVVDRJESA-N 1 1 365.452 4.235 20 30 FIEDMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC#N)CC2)cc1 ZINC000541950349 1118718482 /nfs/dbraw/zinc/71/84/82/1118718482.db2.gz FRADPBWGYPSJLL-OAQYLSRUSA-N 1 1 363.461 4.001 20 30 FIEDMO CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844691 1118718545 /nfs/dbraw/zinc/71/85/45/1118718545.db2.gz IYZSOHHOQVPFGV-XMSQKQJNSA-N 1 1 371.525 4.233 20 30 FIEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000443659570 1118751905 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20 30 FIEDMO Cc1c(Cl)cnc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000542278119 1118877383 /nfs/dbraw/zinc/87/73/83/1118877383.db2.gz ITYDNSMQVOTAAH-WBVHZDCISA-N 1 1 354.885 4.238 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000491356842 1118939679 /nfs/dbraw/zinc/93/96/79/1118939679.db2.gz RVEVAAGLIMGWCY-UHFFFAOYSA-N 1 1 364.445 4.137 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000491356842 1118939681 /nfs/dbraw/zinc/93/96/81/1118939681.db2.gz RVEVAAGLIMGWCY-UHFFFAOYSA-N 1 1 364.445 4.137 20 30 FIEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)CCc1ccco1 ZINC000491397669 1118944169 /nfs/dbraw/zinc/94/41/69/1118944169.db2.gz QQRCZOLBVRPLTP-UHFFFAOYSA-N 1 1 362.857 4.001 20 30 FIEDMO N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000549917447 1118974643 /nfs/dbraw/zinc/97/46/43/1118974643.db2.gz LVAPFAFIFOXZTG-FQEVSTJZSA-N 1 1 374.444 4.214 20 30 FIEDMO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000549917447 1118974645 /nfs/dbraw/zinc/97/46/45/1118974645.db2.gz LVAPFAFIFOXZTG-FQEVSTJZSA-N 1 1 374.444 4.214 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000492657417 1119153276 /nfs/dbraw/zinc/15/32/76/1119153276.db2.gz SQLWGHPGIZYDOJ-QGZVFWFLSA-N 1 1 363.299 4.244 20 30 FIEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000174833576 1119155175 /nfs/dbraw/zinc/15/51/75/1119155175.db2.gz SVIZXORXQKZAAB-MRXNPFEDSA-N 1 1 351.288 4.152 20 30 FIEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000174833576 1119155180 /nfs/dbraw/zinc/15/51/80/1119155180.db2.gz SVIZXORXQKZAAB-MRXNPFEDSA-N 1 1 351.288 4.152 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)cc1 ZINC000031006165 1119211531 /nfs/dbraw/zinc/21/15/31/1119211531.db2.gz IRXAWLAUGBILHI-UHFFFAOYSA-N 1 1 373.909 4.222 20 30 FIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000177905055 1119361009 /nfs/dbraw/zinc/36/10/09/1119361009.db2.gz FYCSMAOQQLAWLA-SFHVURJKSA-N 1 1 352.526 4.099 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178516519 1119394781 /nfs/dbraw/zinc/39/47/81/1119394781.db2.gz CDNQZXOPMUPJIS-UHFFFAOYSA-N 1 1 358.489 4.072 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494045725 1119529748 /nfs/dbraw/zinc/52/97/48/1119529748.db2.gz BYLYVRDLWCGRGT-CYBMUJFWSA-N 1 1 366.852 4.152 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828761 1119560202 /nfs/dbraw/zinc/56/02/02/1119560202.db2.gz BORMFSVOMVGWRA-AZUAARDMSA-N 1 1 355.526 4.037 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182887866 1119561891 /nfs/dbraw/zinc/56/18/91/1119561891.db2.gz LDACNTZHUAJJQF-IAGOWNOFSA-N 1 1 361.555 4.099 20 30 FIEDMO CC#CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000185510485 1119668136 /nfs/dbraw/zinc/66/81/36/1119668136.db2.gz SSIMMKVXRQQERX-UHFFFAOYSA-N 1 1 367.320 4.268 20 30 FIEDMO CC#CCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000186038175 1119702214 /nfs/dbraw/zinc/70/22/14/1119702214.db2.gz PMNKLKKMWMXZOO-UHFFFAOYSA-N 1 1 367.320 4.268 20 30 FIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000187373250 1119779615 /nfs/dbraw/zinc/77/96/15/1119779615.db2.gz XZKIHVJTASYWDO-HXUWFJFHSA-N 1 1 363.404 4.398 20 30 FIEDMO C=CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000609194037 1119840570 /nfs/dbraw/zinc/84/05/70/1119840570.db2.gz YBTDVYOOCZFRBN-UHFFFAOYSA-N 1 1 363.417 4.481 20 30 FIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000914787802 1120537993 /nfs/dbraw/zinc/53/79/93/1120537993.db2.gz UQOCPRMXTYPSCA-CQSZACIVSA-N 1 1 353.853 4.160 20 30 FIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000303522932 1120769116 /nfs/dbraw/zinc/76/91/16/1120769116.db2.gz DKUAMNPULJYRDH-UHFFFAOYSA-N 1 1 355.507 4.210 20 30 FIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000303522932 1120769119 /nfs/dbraw/zinc/76/91/19/1120769119.db2.gz DKUAMNPULJYRDH-UHFFFAOYSA-N 1 1 355.507 4.210 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495415634 1120792494 /nfs/dbraw/zinc/79/24/94/1120792494.db2.gz SAJZEMHMJVNQQF-JKFKMHIGSA-N 1 1 359.517 4.436 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915207887 1120874275 /nfs/dbraw/zinc/87/42/75/1120874275.db2.gz IAVSAGRBUOFJRQ-UHFFFAOYSA-N 1 1 356.539 4.269 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915207887 1120874278 /nfs/dbraw/zinc/87/42/78/1120874278.db2.gz IAVSAGRBUOFJRQ-UHFFFAOYSA-N 1 1 356.539 4.269 20 30 FIEDMO Cc1c(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)c(C#N)c2n1CCC2 ZINC000762605736 1120938729 /nfs/dbraw/zinc/93/87/29/1120938729.db2.gz YDKMBUVRYOKZNI-MDZDMXLPSA-N 1 1 358.445 4.282 20 30 FIEDMO C[C@@H](CCC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542570306 1120958937 /nfs/dbraw/zinc/95/89/37/1120958937.db2.gz XDWLQSGNQUXFBC-SFHVURJKSA-N 1 1 355.526 4.055 20 30 FIEDMO C[C@@H](CCC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542570306 1120958940 /nfs/dbraw/zinc/95/89/40/1120958940.db2.gz XDWLQSGNQUXFBC-SFHVURJKSA-N 1 1 355.526 4.055 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000915615109 1121010475 /nfs/dbraw/zinc/01/04/75/1121010475.db2.gz KBGYOWRBTOWJAJ-HYSAVQALSA-N 1 1 373.500 4.120 20 30 FIEDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl ZINC000488143133 1121562848 /nfs/dbraw/zinc/56/28/48/1121562848.db2.gz UBXFTOCMMCYPBS-XIKOKIGWSA-N 1 1 374.271 4.321 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000763404166 1121579476 /nfs/dbraw/zinc/57/94/76/1121579476.db2.gz RNNRSBGKPYMSFA-RBUKOAKNSA-N 1 1 360.379 4.448 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000763404162 1121579865 /nfs/dbraw/zinc/57/98/65/1121579865.db2.gz RNNRSBGKPYMSFA-MOPGFXCFSA-N 1 1 360.379 4.448 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)cc1 ZINC000763414313 1121581283 /nfs/dbraw/zinc/58/12/83/1121581283.db2.gz VSBAQSVTSNLDIP-NRFANRHFSA-N 1 1 356.416 4.315 20 30 FIEDMO CC[C@@](C)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000125489374 1121784655 /nfs/dbraw/zinc/78/46/55/1121784655.db2.gz IKORBVMFOOPOSU-MRXNPFEDSA-N 1 1 354.397 4.308 20 30 FIEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000112543024 1121966237 /nfs/dbraw/zinc/96/62/37/1121966237.db2.gz HMBBGJVMHHABCE-SJLPKXTDSA-N 1 1 351.425 4.499 20 30 FIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)cc1OC ZINC000916995846 1121994237 /nfs/dbraw/zinc/99/42/37/1121994237.db2.gz MHUYQNYCLVRWKT-HXUWFJFHSA-N 1 1 366.461 4.181 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101457 1122129267 /nfs/dbraw/zinc/12/92/67/1122129267.db2.gz SRSWDVIHZILHIT-UHFFFAOYSA-N 1 1 372.472 4.252 20 30 FIEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000917114603 1122163654 /nfs/dbraw/zinc/16/36/54/1122163654.db2.gz DSWLFBLNHVIKPA-AEFFLSMTSA-N 1 1 374.469 4.122 20 30 FIEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154314945 1122227678 /nfs/dbraw/zinc/22/76/78/1122227678.db2.gz FZPADHPGVQKJDB-UHFFFAOYSA-N 1 1 364.449 4.109 20 30 FIEDMO CC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590941 1122299996 /nfs/dbraw/zinc/29/99/96/1122299996.db2.gz QPSRNFGYTLSATN-SIKLNZKXSA-N 1 1 366.505 4.306 20 30 FIEDMO CC[N@H+](CC(=O)Nc1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594116 1122302564 /nfs/dbraw/zinc/30/25/64/1122302564.db2.gz QFMNSIMTXHRKKE-OAHLLOKOSA-N 1 1 353.491 4.302 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594116 1122302568 /nfs/dbraw/zinc/30/25/68/1122302568.db2.gz QFMNSIMTXHRKKE-OAHLLOKOSA-N 1 1 353.491 4.302 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000107700655 1122315120 /nfs/dbraw/zinc/31/51/20/1122315120.db2.gz PUTKQNINHKEAIG-INIZCTEOSA-N 1 1 369.896 4.301 20 30 FIEDMO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000917465765 1122327713 /nfs/dbraw/zinc/32/77/13/1122327713.db2.gz QIAAFIIWGIKKHF-UHFFFAOYSA-N 1 1 372.538 4.498 20 30 FIEDMO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000917465765 1122327718 /nfs/dbraw/zinc/32/77/18/1122327718.db2.gz QIAAFIIWGIKKHF-UHFFFAOYSA-N 1 1 372.538 4.498 20 30 FIEDMO CCOc1ccc(/C=N/C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(O)c1 ZINC000917559206 1122353021 /nfs/dbraw/zinc/35/30/21/1122353021.db2.gz ICWFKGNUFOYNKH-ZMOGYAJESA-N 1 1 374.431 4.153 20 30 FIEDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000497764434 1122396978 /nfs/dbraw/zinc/39/69/78/1122396978.db2.gz GGRKDXFIRKTFRU-UHFFFAOYSA-N 1 1 367.518 4.170 20 30 FIEDMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000917935266 1122491889 /nfs/dbraw/zinc/49/18/89/1122491889.db2.gz YDJZJIWDZSNCLM-JOCHJYFZSA-N 1 1 371.440 4.036 20 30 FIEDMO C=CCN(C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(C)C ZINC000918067412 1122542268 /nfs/dbraw/zinc/54/22/68/1122542268.db2.gz GCMHTQYHIBDQJX-KDURUIRLSA-N 1 1 357.542 4.271 20 30 FIEDMO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000498168026 1122611919 /nfs/dbraw/zinc/61/19/19/1122611919.db2.gz XTNMDJBWMQWLRU-UHFFFAOYSA-N 1 1 369.509 4.060 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c(F)c1 ZINC000154717312 1122631784 /nfs/dbraw/zinc/63/17/84/1122631784.db2.gz XJAXESVTVARDOY-OAQYLSRUSA-N 1 1 366.461 4.495 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c(F)c1 ZINC000154717312 1122631786 /nfs/dbraw/zinc/63/17/86/1122631786.db2.gz XJAXESVTVARDOY-OAQYLSRUSA-N 1 1 366.461 4.495 20 30 FIEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130183693 1122775481 /nfs/dbraw/zinc/77/54/81/1122775481.db2.gz VSMIZPNFZPHYAE-OAQYLSRUSA-N 1 1 364.493 4.028 20 30 FIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130183693 1122775486 /nfs/dbraw/zinc/77/54/86/1122775486.db2.gz VSMIZPNFZPHYAE-OAQYLSRUSA-N 1 1 364.493 4.028 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000498641978 1122926859 /nfs/dbraw/zinc/92/68/59/1122926859.db2.gz HNEDFLLDVAQOHF-HNNXBMFYSA-N 1 1 359.901 4.208 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000498641978 1122926862 /nfs/dbraw/zinc/92/68/62/1122926862.db2.gz HNEDFLLDVAQOHF-HNNXBMFYSA-N 1 1 359.901 4.208 20 30 FIEDMO C=C(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000498907863 1123072695 /nfs/dbraw/zinc/07/26/95/1123072695.db2.gz GPDLERNMENWAOD-UGKGYDQZSA-N 1 1 363.505 4.052 20 30 FIEDMO CCCCCCCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000919872132 1123217399 /nfs/dbraw/zinc/21/73/99/1123217399.db2.gz UZLBHSBXFVSMDO-UHFFFAOYSA-N 1 1 373.541 4.153 20 30 FIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c1O ZINC000919953940 1123282268 /nfs/dbraw/zinc/28/22/68/1123282268.db2.gz QFYSRCRJVUWJOD-UHFFFAOYSA-N 1 1 371.477 4.169 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499268043 1123391205 /nfs/dbraw/zinc/39/12/05/1123391205.db2.gz VUPRFWBZZWHUGV-LIRRHRJNSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499268043 1123391209 /nfs/dbraw/zinc/39/12/09/1123391209.db2.gz VUPRFWBZZWHUGV-LIRRHRJNSA-N 1 1 358.388 4.294 20 30 FIEDMO Cc1cc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)s1 ZINC000920399189 1123451433 /nfs/dbraw/zinc/45/14/33/1123451433.db2.gz MUWXMQBSFYGKBC-UHFFFAOYSA-N 1 1 359.451 4.424 20 30 FIEDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135100294 1123717452 /nfs/dbraw/zinc/71/74/52/1123717452.db2.gz SHOIBORSPNQAMX-UHFFFAOYSA-N 1 1 367.518 4.280 20 30 FIEDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135100294 1123717456 /nfs/dbraw/zinc/71/74/56/1123717456.db2.gz SHOIBORSPNQAMX-UHFFFAOYSA-N 1 1 367.518 4.280 20 30 FIEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135162332 1123723083 /nfs/dbraw/zinc/72/30/83/1123723083.db2.gz QSNGPRZSKHWRGL-IEBWSBKVSA-N 1 1 355.526 4.005 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540359 1123746980 /nfs/dbraw/zinc/74/69/80/1123746980.db2.gz UDVRXIHUPMQWRH-JKSUJKDBSA-N 1 1 369.490 4.102 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540359 1123746985 /nfs/dbraw/zinc/74/69/85/1123746985.db2.gz UDVRXIHUPMQWRH-JKSUJKDBSA-N 1 1 369.490 4.102 20 30 FIEDMO CC[N@@H+]1CCCC[C@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000609544523 1123748963 /nfs/dbraw/zinc/74/89/63/1123748963.db2.gz ZYRAPIYATLSNJW-QFIPXVFZSA-N 1 1 363.505 4.101 20 30 FIEDMO CC[N@H+]1CCCC[C@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000609544523 1123748970 /nfs/dbraw/zinc/74/89/70/1123748970.db2.gz ZYRAPIYATLSNJW-QFIPXVFZSA-N 1 1 363.505 4.101 20 30 FIEDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C#N)cc1 ZINC000609598462 1123769860 /nfs/dbraw/zinc/76/98/60/1123769860.db2.gz LMZFLYYTBSPSDG-CYBMUJFWSA-N 1 1 364.430 4.441 20 30 FIEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)s2)cc1 ZINC000609615637 1123775224 /nfs/dbraw/zinc/77/52/24/1123775224.db2.gz KZHDJJXEOWZGOD-UKRRQHHQSA-N 1 1 354.479 4.221 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000609766706 1123837022 /nfs/dbraw/zinc/83/70/22/1123837022.db2.gz GLUISKTYETYZOS-QUCCMNQESA-N 1 1 361.917 4.312 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000609766706 1123837026 /nfs/dbraw/zinc/83/70/26/1123837026.db2.gz GLUISKTYETYZOS-QUCCMNQESA-N 1 1 361.917 4.312 20 30 FIEDMO Cc1nnc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C#N)c1C ZINC000301091071 1124191519 /nfs/dbraw/zinc/19/15/19/1124191519.db2.gz OMUKKLPVOPYRMO-QGZVFWFLSA-N 1 1 373.863 4.007 20 30 FIEDMO N#Cc1cccnc1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000301109751 1124192792 /nfs/dbraw/zinc/19/27/92/1124192792.db2.gz QZWBOKNZXNAFKI-IBGZPJMESA-N 1 1 360.486 4.226 20 30 FIEDMO N#Cc1cccnc1NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000301109751 1124192797 /nfs/dbraw/zinc/19/27/97/1124192797.db2.gz QZWBOKNZXNAFKI-IBGZPJMESA-N 1 1 360.486 4.226 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ncccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301253349 1124207970 /nfs/dbraw/zinc/20/79/70/1124207970.db2.gz AQLFRPLVJPXDLD-SJLPKXTDSA-N 1 1 374.410 4.467 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cccc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301291008 1124212672 /nfs/dbraw/zinc/21/26/72/1124212672.db2.gz UJNLWSKAABEFRO-BEFAXECRSA-N 1 1 374.410 4.467 20 30 FIEDMO N#Cc1cnc2ccccc2c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301376624 1124222984 /nfs/dbraw/zinc/22/29/84/1124222984.db2.gz XUSUPGOWILRABQ-UHFFFAOYSA-N 1 1 353.429 4.006 20 30 FIEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301441055 1124230656 /nfs/dbraw/zinc/23/06/56/1124230656.db2.gz XYFZANBEIFJRGQ-IBGZPJMESA-N 1 1 356.473 4.083 20 30 FIEDMO C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301560092 1124241856 /nfs/dbraw/zinc/24/18/56/1124241856.db2.gz ULFBULDFRDBADZ-RHSMWYFYSA-N 1 1 374.410 4.437 20 30 FIEDMO N#CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCCC1 ZINC000301581764 1124243345 /nfs/dbraw/zinc/24/33/45/1124243345.db2.gz PMSISNDEIFDHTE-UHFFFAOYSA-N 1 1 361.489 4.031 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000301608054 1124245089 /nfs/dbraw/zinc/24/50/89/1124245089.db2.gz ZSFQPXJZPBHFHS-RHSMWYFYSA-N 1 1 374.410 4.295 20 30 FIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000301773248 1124259503 /nfs/dbraw/zinc/25/95/03/1124259503.db2.gz JZJZAJZDIUJAKC-UTKZUKDTSA-N 1 1 360.505 4.176 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2nc3c(cc2C#N)CCCC3)[C@H]1c1cccs1 ZINC000301901808 1124269142 /nfs/dbraw/zinc/26/91/42/1124269142.db2.gz VWEQZBVIGCIBIN-UZLBHIALSA-N 1 1 366.534 4.389 20 30 FIEDMO C[C@H]1C[NH+](Cc2cccc(Nc3snc(Cl)c3C#N)c2)C[C@H](C)O1 ZINC000301948154 1124271777 /nfs/dbraw/zinc/27/17/77/1124271777.db2.gz DQQIGLLMBZIXNH-RYUDHWBXSA-N 1 1 362.886 4.021 20 30 FIEDMO COc1cccc([C@@H]2[C@H](Nc3cccc(F)c3C#N)CC[N@H+]2C2CC2)c1 ZINC000302036603 1124279001 /nfs/dbraw/zinc/27/90/01/1124279001.db2.gz KBJSVUVQVIBNPK-NHCUHLMSSA-N 1 1 351.425 4.096 20 30 FIEDMO COc1cccc([C@@H]2[C@@H](Nc3cccc(F)c3C#N)CC[N@H+]2C2CC2)c1 ZINC000302036602 1124279568 /nfs/dbraw/zinc/27/95/68/1124279568.db2.gz KBJSVUVQVIBNPK-LEWJYISDSA-N 1 1 351.425 4.096 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000302194516 1124293970 /nfs/dbraw/zinc/29/39/70/1124293970.db2.gz DCLKMPAXVRUHGV-KSSFIOAISA-N 1 1 356.451 4.023 20 30 FIEDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108356269 1124298137 /nfs/dbraw/zinc/29/81/37/1124298137.db2.gz SDARPOQWDNWZOA-KRWDZBQOSA-N 1 1 367.518 4.460 20 30 FIEDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108356269 1124298140 /nfs/dbraw/zinc/29/81/40/1124298140.db2.gz SDARPOQWDNWZOA-KRWDZBQOSA-N 1 1 367.518 4.460 20 30 FIEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000302810429 1124354726 /nfs/dbraw/zinc/35/47/26/1124354726.db2.gz YQLKWDBBSACAFS-INIZCTEOSA-N 1 1 360.436 4.129 20 30 FIEDMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000139728490 1124435495 /nfs/dbraw/zinc/43/54/95/1124435495.db2.gz VPAGIQVDRJTBQJ-UHFFFAOYSA-N 1 1 363.505 4.363 20 30 FIEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 ZINC000139728490 1124435501 /nfs/dbraw/zinc/43/55/01/1124435501.db2.gz VPAGIQVDRJTBQJ-UHFFFAOYSA-N 1 1 363.505 4.363 20 30 FIEDMO N#Cc1cc(F)c(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1Br ZINC000715662031 1124461066 /nfs/dbraw/zinc/46/10/66/1124461066.db2.gz PUJHNADNYKKPBR-OAHLLOKOSA-N 1 1 374.257 4.146 20 30 FIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246573228 1124535343 /nfs/dbraw/zinc/53/53/43/1124535343.db2.gz XPVYDVLBHQGQLX-SJORKVTESA-N 1 1 374.554 4.038 20 30 FIEDMO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000109405113 1124564253 /nfs/dbraw/zinc/56/42/53/1124564253.db2.gz HYLWQMDOGAQWFP-HSZRJFAPSA-N 1 1 363.505 4.282 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000075645703 1124911153 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YZXYGTBNJWRFHI-KDOFPFPSSA-N 1 1 362.433 4.483 20 30 FIEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC000076120207 1124961197 /nfs/dbraw/zinc/96/11/97/1124961197.db2.gz YZXYGTBNJWRFHI-KDOFPFPSSA-N 1 1 362.433 4.483 20 30 FIEDMO C=CCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181494039 1124976126 /nfs/dbraw/zinc/97/61/26/1124976126.db2.gz RJFQWEAUAPCARV-UHFFFAOYSA-N 1 1 355.309 4.430 20 30 FIEDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000251516239 1125001880 /nfs/dbraw/zinc/00/18/80/1125001880.db2.gz JSVPNYHYPLAVMJ-WAIKUNEKSA-N 1 1 361.489 4.174 20 30 FIEDMO N#CCC[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000090664572 1125012617 /nfs/dbraw/zinc/01/26/17/1125012617.db2.gz NASILRZBDWVAJC-HSZRJFAPSA-N 1 1 365.496 4.467 20 30 FIEDMO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181748957 1125125288 /nfs/dbraw/zinc/12/52/88/1125125288.db2.gz IJQNKOPOWQKYLS-QZTJIDSGSA-N 1 1 351.494 4.369 20 30 FIEDMO COc1ccc(C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000618288407 1125133254 /nfs/dbraw/zinc/13/32/54/1125133254.db2.gz CFXBHGWNMQPRNG-UHFFFAOYSA-N 1 1 371.484 4.422 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)COc1ccccc1 ZINC000618337578 1125146093 /nfs/dbraw/zinc/14/60/93/1125146093.db2.gz HZPCHZDPJHLYJD-NRFANRHFSA-N 1 1 366.505 4.138 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1)C(C)C ZINC000618789479 1125279776 /nfs/dbraw/zinc/27/97/76/1125279776.db2.gz JGHWEIQSNGFQNX-JOCHJYFZSA-N 1 1 361.489 4.206 20 30 FIEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000047741236 205149202 /nfs/dbraw/zinc/14/92/02/205149202.db2.gz FTSJLDKHDANDNO-UHFFFAOYSA-N 1 1 355.869 4.452 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1 ZINC000109105374 206046524 /nfs/dbraw/zinc/04/65/24/206046524.db2.gz PXZBKGOMOXBXKD-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481431097 567922826 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C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471155683 1079980028 /nfs/dbraw/zinc/98/00/28/1079980028.db2.gz GTISBUIMNGCDNQ-OXJNMPFZSA-N 1 1 371.431 4.231 20 30 FIEDMO N#CCCN(C(=O)C[N@H+](Cc1ccoc1)C1CCCCC1)c1ccccc1 ZINC000610215436 1079986508 /nfs/dbraw/zinc/98/65/08/1079986508.db2.gz ROLHLXIDKDNGQC-UHFFFAOYSA-N 1 1 365.477 4.361 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1)c1ccccc1 ZINC000610215436 1079986509 /nfs/dbraw/zinc/98/65/09/1079986509.db2.gz ROLHLXIDKDNGQC-UHFFFAOYSA-N 1 1 365.477 4.361 20 30 FIEDMO C=CCSc1nc2ccccc2n1CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000748082346 1080130376 /nfs/dbraw/zinc/13/03/76/1080130376.db2.gz JAJUJSOEDXYVTJ-UHFFFAOYSA-N 1 1 358.555 4.078 20 30 FIEDMO Cc1ccc(C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)o1 ZINC000164991627 1080274805 /nfs/dbraw/zinc/27/48/05/1080274805.db2.gz BZZPNSOMAIGLIU-UHFFFAOYSA-N 1 1 369.490 4.003 20 30 FIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000510139496 1080318387 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1085373586 /nfs/dbraw/zinc/37/35/86/1085373586.db2.gz GBKGGGPWOSIGJS-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO CC[NH+]1CCC(N(C)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000125264024 1085373592 /nfs/dbraw/zinc/37/35/92/1085373592.db2.gz GBKGGGPWOSIGJS-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC001167603192 1085432530 /nfs/dbraw/zinc/43/25/30/1085432530.db2.gz UQDVTNPZLGQITR-QIJUGHKUSA-N 1 1 362.473 4.288 20 30 FIEDMO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC001167603192 1085432538 /nfs/dbraw/zinc/43/25/38/1085432538.db2.gz UQDVTNPZLGQITR-QIJUGHKUSA-N 1 1 362.473 4.288 20 30 FIEDMO C=CC[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@@H](C)COC ZINC000661243724 1085477947 /nfs/dbraw/zinc/47/79/47/1085477947.db2.gz MYNITVOBAHIQMA-ZDUSSCGKSA-N 1 1 365.271 4.127 20 30 FIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@@H](C)COC ZINC000661243724 1085477953 /nfs/dbraw/zinc/47/79/53/1085477953.db2.gz MYNITVOBAHIQMA-ZDUSSCGKSA-N 1 1 365.271 4.127 20 30 FIEDMO Fc1ccccc1OCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451557 1085481639 /nfs/dbraw/zinc/48/16/39/1085481639.db2.gz QNJMKHWJSINNDY-QWRGUYRKSA-N 1 1 359.285 4.267 20 30 FIEDMO Cc1cc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447762 1085720424 /nfs/dbraw/zinc/72/04/24/1085720424.db2.gz GTISYWMXXUYISZ-UONOGXRCSA-N 1 1 373.312 4.241 20 30 FIEDMO Cc1cc(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447762 1085720432 /nfs/dbraw/zinc/72/04/32/1085720432.db2.gz GTISYWMXXUYISZ-UONOGXRCSA-N 1 1 373.312 4.241 20 30 FIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000128500032 1085807523 /nfs/dbraw/zinc/80/75/23/1085807523.db2.gz VDVWOSRPWBEKFL-CYBMUJFWSA-N 1 1 353.447 4.388 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876896 1085886439 /nfs/dbraw/zinc/88/64/39/1085886439.db2.gz AUKSNVYATMNNAR-IEBWSBKVSA-N 1 1 374.550 4.184 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876896 1085886449 /nfs/dbraw/zinc/88/64/49/1085886449.db2.gz AUKSNVYATMNNAR-IEBWSBKVSA-N 1 1 374.550 4.184 20 30 FIEDMO C[NH+](C)Cc1cnc(CNCc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000511928025 1085992439 /nfs/dbraw/zinc/99/24/39/1085992439.db2.gz UHSCUKLKRJQBLH-UHFFFAOYSA-N 1 1 362.502 4.033 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cccnc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583057220 1086099671 /nfs/dbraw/zinc/09/96/71/1086099671.db2.gz LCMHTCSEVCRSQW-BEFAXECRSA-N 1 1 374.410 4.467 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000187779015 1086369673 /nfs/dbraw/zinc/36/96/73/1086369673.db2.gz MBEAUAHZDSHNCB-KPZWWZAWSA-N 1 1 373.403 4.280 20 30 FIEDMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(C#N)cc1 ZINC000535956690 1086374611 /nfs/dbraw/zinc/37/46/11/1086374611.db2.gz OXGVKBGXEHRCFA-LBPRGKRZSA-N 1 1 372.259 4.297 20 30 FIEDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000535980184 1086494073 /nfs/dbraw/zinc/49/40/73/1086494073.db2.gz GCLUVBAIHVUCSP-OAQYLSRUSA-N 1 1 364.445 4.081 20 30 FIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000535980184 1086494078 /nfs/dbraw/zinc/49/40/78/1086494078.db2.gz GCLUVBAIHVUCSP-OAQYLSRUSA-N 1 1 364.445 4.081 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)c1ccccc1 ZINC000585754301 1086686817 /nfs/dbraw/zinc/68/68/17/1086686817.db2.gz GMWVIUKFXRZHMG-UHFFFAOYSA-N 1 1 367.518 4.304 20 30 FIEDMO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc(C#N)cc1 ZINC000278266594 1086715775 /nfs/dbraw/zinc/71/57/75/1086715775.db2.gz OPIDTCYGLBNDNT-QZTJIDSGSA-N 1 1 365.506 4.136 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000512153387 1086844800 /nfs/dbraw/zinc/84/48/00/1086844800.db2.gz SAGSJOYJCKBLHH-UHFFFAOYSA-N 1 1 369.383 4.291 20 30 FIEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245997127 1086883110 /nfs/dbraw/zinc/88/31/10/1086883110.db2.gz FLRAWRCFFVJLES-ZACQAIPSSA-N 1 1 372.538 4.171 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1OC ZINC000247063465 1086980197 /nfs/dbraw/zinc/98/01/97/1086980197.db2.gz VLFDSJTXCSRECZ-ZWKOTPCHSA-N 1 1 373.518 4.410 20 30 FIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000158109657 1087024963 /nfs/dbraw/zinc/02/49/63/1087024963.db2.gz NGVZBFQTRGFWMY-OAHLLOKOSA-N 1 1 366.292 4.418 20 30 FIEDMO COc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1OCCCC#N ZINC000584125797 1087180837 /nfs/dbraw/zinc/18/08/37/1087180837.db2.gz CVGAOHZIJIPZAG-QFIPXVFZSA-N 1 1 368.452 4.448 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1OCCCC#N ZINC000584125797 1087180840 /nfs/dbraw/zinc/18/08/40/1087180840.db2.gz CVGAOHZIJIPZAG-QFIPXVFZSA-N 1 1 368.452 4.448 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1C(C)(C)C#N ZINC000135184119 1087250947 /nfs/dbraw/zinc/25/09/47/1087250947.db2.gz CGPQCVBNPKIPFE-UHFFFAOYSA-N 1 1 363.505 4.212 20 30 FIEDMO Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc(C)[nH+]1 ZINC001267356999 1087261905 /nfs/dbraw/zinc/26/19/05/1087261905.db2.gz JXJSBHQKILYESX-UHFFFAOYSA-N 1 1 357.413 4.345 20 30 FIEDMO C[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000584408146 1087358986 /nfs/dbraw/zinc/35/89/86/1087358986.db2.gz YKNGJFVCKJVAJM-HNNXBMFYSA-N 1 1 357.461 4.082 20 30 FIEDMO C[C@H]1SCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000118421495 1087379689 /nfs/dbraw/zinc/37/96/89/1087379689.db2.gz QAEHSTZQTJZVJS-KDOFPFPSSA-N 1 1 371.531 4.127 20 30 FIEDMO N#CCc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000612063842 1087730803 /nfs/dbraw/zinc/73/08/03/1087730803.db2.gz FXWXYQSOILDMIF-ZIAGYGMSSA-N 1 1 350.306 4.315 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000505017040 1088052554 /nfs/dbraw/zinc/05/25/54/1088052554.db2.gz PTSPSLHCYNAQML-ICSRJNTNSA-N 1 1 373.541 4.064 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000505051205 1088098122 /nfs/dbraw/zinc/09/81/22/1088098122.db2.gz JBMKDAFKEDUQNA-FQEVSTJZSA-N 1 1 367.493 4.238 20 30 FIEDMO Cn1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180909883 1088148911 /nfs/dbraw/zinc/14/89/11/1088148911.db2.gz PRWKHWFVBYFQOY-UHFFFAOYSA-N 1 1 370.378 4.008 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180909883 1088148918 /nfs/dbraw/zinc/14/89/18/1088148918.db2.gz PRWKHWFVBYFQOY-UHFFFAOYSA-N 1 1 370.378 4.008 20 30 FIEDMO CC(C)CCOC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180971204 1088199823 /nfs/dbraw/zinc/19/98/23/1088199823.db2.gz WWEPLRYVPIPTFJ-UHFFFAOYSA-N 1 1 365.315 4.348 20 30 FIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](OC)c1ccc(Cl)cc1 ZINC000513890700 1088502173 /nfs/dbraw/zinc/50/21/73/1088502173.db2.gz RSGGCCSGTSJXMU-FQEVSTJZSA-N 1 1 358.869 4.048 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC000425083741 1088654090 /nfs/dbraw/zinc/65/40/90/1088654090.db2.gz QAVXHOAQOPGUPV-UHFFFAOYSA-N 1 1 371.506 4.117 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000514082884 1088721038 /nfs/dbraw/zinc/72/10/38/1088721038.db2.gz IZXLJEKYFGUFNF-JTSKRJEESA-N 1 1 353.462 4.222 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000514082884 1088721052 /nfs/dbraw/zinc/72/10/52/1088721052.db2.gz IZXLJEKYFGUFNF-JTSKRJEESA-N 1 1 353.462 4.222 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000514128835 1088775996 /nfs/dbraw/zinc/77/59/96/1088775996.db2.gz OODFGIBSSNAINN-OAQYLSRUSA-N 1 1 354.519 4.190 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)c(C#N)c1C ZINC000434610162 1088849208 /nfs/dbraw/zinc/84/92/08/1088849208.db2.gz YYKKQVHOKXZALX-IBGZPJMESA-N 1 1 351.450 4.324 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)c(C#N)c1C ZINC000434610162 1088849236 /nfs/dbraw/zinc/84/92/36/1088849236.db2.gz YYKKQVHOKXZALX-IBGZPJMESA-N 1 1 351.450 4.324 20 30 FIEDMO CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC000514180763 1088870884 /nfs/dbraw/zinc/87/08/84/1088870884.db2.gz XKNJEPFNSOPVTA-JOCHJYFZSA-N 1 1 363.505 4.428 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)c(C#N)c1C ZINC000434624984 1088887185 /nfs/dbraw/zinc/88/71/85/1088887185.db2.gz SDOHYQSBZNAIAJ-UHFFFAOYSA-N 1 1 359.857 4.271 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)c(C#N)c1C ZINC000434624984 1088887204 /nfs/dbraw/zinc/88/72/04/1088887204.db2.gz SDOHYQSBZNAIAJ-UHFFFAOYSA-N 1 1 359.857 4.271 20 30 FIEDMO Cc1cccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1C ZINC000430086456 1088960768 /nfs/dbraw/zinc/96/07/68/1088960768.db2.gz BDQNGKKBTLCGKN-UHFFFAOYSA-N 1 1 359.477 4.108 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000514348955 1089025112 /nfs/dbraw/zinc/02/51/12/1089025112.db2.gz PMUFHRQRXIMAEP-LEWJYISDSA-N 1 1 355.453 4.131 20 30 FIEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1Cl ZINC000183788369 1089055206 /nfs/dbraw/zinc/05/52/06/1089055206.db2.gz NGSPEJROCSZPPZ-CQSZACIVSA-N 1 1 359.832 4.077 20 30 FIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000434906592 1089130236 /nfs/dbraw/zinc/13/02/36/1089130236.db2.gz OFZKMIQQDXQATR-OAQYLSRUSA-N 1 1 367.518 4.293 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc(C#N)cs1 ZINC000511521176 1089155594 /nfs/dbraw/zinc/15/55/94/1089155594.db2.gz HCZJAMJNTBQQTJ-UHFFFAOYSA-N 1 1 354.454 4.214 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173122121 1089173854 /nfs/dbraw/zinc/17/38/54/1089173854.db2.gz KKUKJPGNXGYBAA-PMPSAXMXSA-N 1 1 360.527 4.027 20 30 FIEDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)cc1C(F)(F)F ZINC000514638862 1089297781 /nfs/dbraw/zinc/29/77/81/1089297781.db2.gz KUOCQCOIYJUEEI-OAHLLOKOSA-N 1 1 361.411 4.187 20 30 FIEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)cc1C(F)(F)F ZINC000514638862 1089297788 /nfs/dbraw/zinc/29/77/88/1089297788.db2.gz KUOCQCOIYJUEEI-OAHLLOKOSA-N 1 1 361.411 4.187 20 30 FIEDMO CC(C)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)(C)C ZINC000435134419 1089318034 /nfs/dbraw/zinc/31/80/34/1089318034.db2.gz HOJLDXMPMBGTTJ-UHFFFAOYSA-N 1 1 353.514 4.363 20 30 FIEDMO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nccn1-c1ccccc1 ZINC000377402552 1089319763 /nfs/dbraw/zinc/31/97/63/1089319763.db2.gz VCGOWOBYOXSXDP-GOSISDBHSA-N 1 1 360.461 4.406 20 30 FIEDMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000549274951 1089522566 /nfs/dbraw/zinc/52/25/66/1089522566.db2.gz SUCUQMXOBSLNEG-SFHVURJKSA-N 1 1 361.578 4.316 20 30 FIEDMO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccc(OC)cc1 ZINC000659850943 1089589332 /nfs/dbraw/zinc/58/93/32/1089589332.db2.gz WYMJEUXBJRNVCS-FQEVSTJZSA-N 1 1 368.502 4.186 20 30 FIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000435414582 1089618455 /nfs/dbraw/zinc/61/84/55/1089618455.db2.gz DPRXVRYVJRLRPY-AZUAARDMSA-N 1 1 365.477 4.365 20 30 FIEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000435582451 1089776513 /nfs/dbraw/zinc/77/65/13/1089776513.db2.gz ADBCBXYAGMTIFJ-VQIMIIECSA-N 1 1 366.465 4.083 20 30 FIEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)ccc1OCc1ccccc1 ZINC000549342705 1089849446 /nfs/dbraw/zinc/84/94/46/1089849446.db2.gz OUELBSALMHTZSY-UYAOXDASSA-N 1 1 350.462 4.398 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431859524 1090271424 /nfs/dbraw/zinc/27/14/24/1090271424.db2.gz RPPSBSBKDWNAIV-FPOVZHCZSA-N 1 1 370.541 4.375 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742011 1090287192 /nfs/dbraw/zinc/28/71/92/1090287192.db2.gz QYNXPDZWBLUKBW-AWEZNQCLSA-N 1 1 371.868 4.242 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742011 1090287198 /nfs/dbraw/zinc/28/71/98/1090287198.db2.gz QYNXPDZWBLUKBW-AWEZNQCLSA-N 1 1 371.868 4.242 20 30 FIEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046750807 1090431111 /nfs/dbraw/zinc/43/11/11/1090431111.db2.gz PZFINOASJIPPEM-IBGZPJMESA-N 1 1 370.541 4.134 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCCO1 ZINC000511623598 1090858352 /nfs/dbraw/zinc/85/83/52/1090858352.db2.gz HCXIETVVHPZMAD-JOCHJYFZSA-N 1 1 350.462 4.138 20 30 FIEDMO CC(=O)c1[nH]c(CC[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc1C ZINC000660240461 1090932916 /nfs/dbraw/zinc/93/29/16/1090932916.db2.gz FFGGEKOIWDEYBG-OAHLLOKOSA-N 1 1 372.472 4.353 20 30 FIEDMO Clc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000511664923 1091519274 /nfs/dbraw/zinc/51/92/74/1091519274.db2.gz PYEQLWWLBTZNOJ-VSKRKVRLSA-N 1 1 351.877 4.196 20 30 FIEDMO Clc1ccccc1C#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511762516 1091640973 /nfs/dbraw/zinc/64/09/73/1091640973.db2.gz MKGYKHMOGRRKNP-URVUXULASA-N 1 1 351.877 4.196 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000512184120 1091782942 /nfs/dbraw/zinc/78/29/42/1091782942.db2.gz WSVWIYMPRQPAFG-UHFFFAOYSA-N 1 1 371.477 4.306 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000512184120 1091782952 /nfs/dbraw/zinc/78/29/52/1091782952.db2.gz WSVWIYMPRQPAFG-UHFFFAOYSA-N 1 1 371.477 4.306 20 30 FIEDMO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000609495168 1091812583 /nfs/dbraw/zinc/81/25/83/1091812583.db2.gz IIOWABMBWTUNKD-UHFFFAOYSA-N 1 1 363.358 4.038 20 30 FIEDMO CCc1nc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cs1 ZINC000107715674 1091832301 /nfs/dbraw/zinc/83/23/01/1091832301.db2.gz HQVXJLXQFOIASE-UHFFFAOYSA-N 1 1 363.486 4.446 20 30 FIEDMO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000279322866 1091867108 /nfs/dbraw/zinc/86/71/08/1091867108.db2.gz BWRNKKJLFPWXPC-UHFFFAOYSA-N 1 1 359.477 4.271 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279489308 1091908037 /nfs/dbraw/zinc/90/80/37/1091908037.db2.gz XVDBTUQMPSLBIG-RXVVDRJESA-N 1 1 371.488 4.237 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000500496128 1092152228 /nfs/dbraw/zinc/15/22/28/1092152228.db2.gz CIHBHBHDFUVVSF-UHFFFAOYSA-N 1 1 360.244 4.082 20 30 FIEDMO CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000544196963 1092247922 /nfs/dbraw/zinc/24/79/22/1092247922.db2.gz BKWRTUWDOIXGRP-SFHVURJKSA-N 1 1 362.477 4.028 20 30 FIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](OC(C)C)c1ccccc1 ZINC000428210869 1092264730 /nfs/dbraw/zinc/26/47/30/1092264730.db2.gz URIYXCUBKGUQLQ-JOCHJYFZSA-N 1 1 352.478 4.173 20 30 FIEDMO C[C@@H]1C[C@H](N(C)Cc2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428235636 1092276329 /nfs/dbraw/zinc/27/63/29/1092276329.db2.gz CXMQNKADOGXFLD-YLJYHZDGSA-N 1 1 351.469 4.182 20 30 FIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000120989366 1092293135 /nfs/dbraw/zinc/29/31/35/1092293135.db2.gz SYFBMPKQZNDSDW-OAHLLOKOSA-N 1 1 370.522 4.468 20 30 FIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000120989523 1092293657 /nfs/dbraw/zinc/29/36/57/1092293657.db2.gz SYFBMPKQZNDSDW-HNNXBMFYSA-N 1 1 370.522 4.468 20 30 FIEDMO C[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1Cc1ccccc1 ZINC000512433928 1092323689 /nfs/dbraw/zinc/32/36/89/1092323689.db2.gz QRTULKTZJRGNHU-DYESRHJHSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1Cc1ccccc1 ZINC000512433931 1092323784 /nfs/dbraw/zinc/32/37/84/1092323784.db2.gz QRTULKTZJRGNHU-UWJYYQICSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@H](c1cccc(NCc2ccc(C(C)(C)C#N)cc2)c1)[NH+]1CCOCC1 ZINC000614056029 1092371566 /nfs/dbraw/zinc/37/15/66/1092371566.db2.gz AEBHOHCGTCLDTA-GOSISDBHSA-N 1 1 363.505 4.493 20 30 FIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000121003751 1092478450 /nfs/dbraw/zinc/47/84/50/1092478450.db2.gz CDBVYHMDSJBWFD-OAHLLOKOSA-N 1 1 355.869 4.103 20 30 FIEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512521957 1092630651 /nfs/dbraw/zinc/63/06/51/1092630651.db2.gz MMSBPJREMACMON-UHFFFAOYSA-N 1 1 358.461 4.010 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1F ZINC000500844318 1092636080 /nfs/dbraw/zinc/63/60/80/1092636080.db2.gz YTGKUWMSILKOEC-MNOVXSKESA-N 1 1 363.795 4.168 20 30 FIEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000512542694 1092734219 /nfs/dbraw/zinc/73/42/19/1092734219.db2.gz SYTIPWJCDWRFKN-UHFFFAOYSA-N 1 1 350.231 4.443 20 30 FIEDMO N#C[C@@H]1CC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000549739483 1092736196 /nfs/dbraw/zinc/73/61/96/1092736196.db2.gz BYMNDKUROBTSGX-IAGOWNOFSA-N 1 1 369.509 4.364 20 30 FIEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000521587789 1092782672 /nfs/dbraw/zinc/78/26/72/1092782672.db2.gz QFEUQUHFDIZPMN-GOSISDBHSA-N 1 1 368.452 4.241 20 30 FIEDMO COc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC000442882627 1092838143 /nfs/dbraw/zinc/83/81/43/1092838143.db2.gz RXUKUMCAUYKSTC-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC000521820082 1092937682 /nfs/dbraw/zinc/93/76/82/1092937682.db2.gz UFQGAUJQCOJXJK-HXUWFJFHSA-N 1 1 353.510 4.071 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521821352 1092939101 /nfs/dbraw/zinc/93/91/01/1092939101.db2.gz GAZCNGVRLBDSGG-IBGZPJMESA-N 1 1 363.505 4.236 20 30 FIEDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(OC[C@@H]2CCOC2)c1 ZINC000512610435 1092985723 /nfs/dbraw/zinc/98/57/23/1092985723.db2.gz BBWHGYGOEIRPQB-FUHWJXTLSA-N 1 1 368.452 4.272 20 30 FIEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614163287 1093032484 /nfs/dbraw/zinc/03/24/84/1093032484.db2.gz XNAMQRSKGMYPME-HKUYNNGSSA-N 1 1 355.526 4.005 20 30 FIEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614168847 1093040275 /nfs/dbraw/zinc/04/02/75/1093040275.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 1 1 361.533 4.442 20 30 FIEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614168847 1093040286 /nfs/dbraw/zinc/04/02/86/1093040286.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000614168847 1093040302 /nfs/dbraw/zinc/04/03/02/1093040302.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000614168847 1093040312 /nfs/dbraw/zinc/04/03/12/1093040312.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 1 1 361.533 4.442 20 30 FIEDMO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1cccc(C#N)c1 ZINC000614178689 1093062463 /nfs/dbraw/zinc/06/24/63/1093062463.db2.gz AOBXFGWEVWGCNZ-LLVKDONJSA-N 1 1 355.239 4.048 20 30 FIEDMO Cc1cc(-c2nnc(C[NH2+][C@@H](CCCC#N)c3ccccc3)o2)c(C)o1 ZINC000433011921 1093089123 /nfs/dbraw/zinc/08/91/23/1093089123.db2.gz HSTRWXPCOQKJJY-SFHVURJKSA-N 1 1 350.422 4.471 20 30 FIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000433048975 1093150944 /nfs/dbraw/zinc/15/09/44/1093150944.db2.gz PFYPNEYJJYZMRI-HXUWFJFHSA-N 1 1 358.445 4.160 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000429851845 1093182811 /nfs/dbraw/zinc/18/28/11/1093182811.db2.gz RTNDYRPALHGCPW-HNNXBMFYSA-N 1 1 369.534 4.323 20 30 FIEDMO CCCCCCCCOc1ccc(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)cc1 ZINC001211789623 1093326724 /nfs/dbraw/zinc/32/67/24/1093326724.db2.gz XZEFZCAOXZRTFW-SFHVURJKSA-N 1 1 373.497 4.043 20 30 FIEDMO CCCCCCCCOc1ccc(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)cc1 ZINC001211789623 1093326731 /nfs/dbraw/zinc/32/67/31/1093326731.db2.gz XZEFZCAOXZRTFW-SFHVURJKSA-N 1 1 373.497 4.043 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c(F)c1 ZINC000134384628 1093353780 /nfs/dbraw/zinc/35/37/80/1093353780.db2.gz UCVCSRQBCZDDHC-MRXNPFEDSA-N 1 1 363.205 4.376 20 30 FIEDMO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)sc1C ZINC000411663907 1093408697 /nfs/dbraw/zinc/40/86/97/1093408697.db2.gz ZYZUOEXUQKVNHY-OAHLLOKOSA-N 1 1 361.511 4.239 20 30 FIEDMO COC(=O)c1nc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)sc1C ZINC000411663907 1093408703 /nfs/dbraw/zinc/40/87/03/1093408703.db2.gz ZYZUOEXUQKVNHY-OAHLLOKOSA-N 1 1 361.511 4.239 20 30 FIEDMO Cn1ncc2c1CCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000411845845 1093476180 /nfs/dbraw/zinc/47/61/80/1093476180.db2.gz FCGOHAKJWSXBEK-UHFFFAOYSA-N 1 1 370.500 4.068 20 30 FIEDMO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000544183369 1093509109 /nfs/dbraw/zinc/50/91/09/1093509109.db2.gz JWXJYRYPWLSKJY-QHCPKHFHSA-N 1 1 361.489 4.036 20 30 FIEDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000544183369 1093509114 /nfs/dbraw/zinc/50/91/14/1093509114.db2.gz JWXJYRYPWLSKJY-QHCPKHFHSA-N 1 1 361.489 4.036 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C#N ZINC000433300425 1093555880 /nfs/dbraw/zinc/55/58/80/1093555880.db2.gz FCDFQLWCOQPUNU-UHFFFAOYSA-N 1 1 351.450 4.289 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001141815018 1093584014 /nfs/dbraw/zinc/58/40/14/1093584014.db2.gz YJLJMIVUHBMOTL-HNNXBMFYSA-N 1 1 359.242 4.449 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001141815018 1093584021 /nfs/dbraw/zinc/58/40/21/1093584021.db2.gz YJLJMIVUHBMOTL-HNNXBMFYSA-N 1 1 359.242 4.449 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001141814884 1093584421 /nfs/dbraw/zinc/58/44/21/1093584421.db2.gz UBPXTWRHYVKYGB-MRXNPFEDSA-N 1 1 355.279 4.385 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001141814884 1093584424 /nfs/dbraw/zinc/58/44/24/1093584424.db2.gz UBPXTWRHYVKYGB-MRXNPFEDSA-N 1 1 355.279 4.385 20 30 FIEDMO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Br)cc3C#N)C2)cc1 ZINC001141817068 1093598243 /nfs/dbraw/zinc/59/82/43/1093598243.db2.gz VGSMMBUEXWMFPB-MRXNPFEDSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3C#N)C2)cc1 ZINC001141817068 1093598249 /nfs/dbraw/zinc/59/82/49/1093598249.db2.gz VGSMMBUEXWMFPB-MRXNPFEDSA-N 1 1 371.278 4.319 20 30 FIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419329945 1093650890 /nfs/dbraw/zinc/65/08/90/1093650890.db2.gz HLOPPXNTKPOIDD-NVXWUHKLSA-N 1 1 359.539 4.387 20 30 FIEDMO CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513061430 1093713555 /nfs/dbraw/zinc/71/35/55/1093713555.db2.gz MIUIVVXXFYOVRG-GHTZIAJQSA-N 1 1 361.489 4.164 20 30 FIEDMO CC(C)C[C@H](C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1 ZINC000474391286 1093733626 /nfs/dbraw/zinc/73/36/26/1093733626.db2.gz LTBAQOCDNMYPBA-JXALWOEJSA-N 1 1 373.500 4.162 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000398053728 1093806573 /nfs/dbraw/zinc/80/65/73/1093806573.db2.gz YQGYYZPPVFNNBZ-IIBYNOLFSA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053728 1093806578 /nfs/dbraw/zinc/80/65/78/1093806578.db2.gz YQGYYZPPVFNNBZ-IIBYNOLFSA-N 1 1 353.897 4.212 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000614406848 1093828125 /nfs/dbraw/zinc/82/81/25/1093828125.db2.gz CBOQENQCFRSLKY-FQEVSTJZSA-N 1 1 363.509 4.412 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000614406848 1093828129 /nfs/dbraw/zinc/82/81/29/1093828129.db2.gz CBOQENQCFRSLKY-FQEVSTJZSA-N 1 1 363.509 4.412 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000614406848 1093828135 /nfs/dbraw/zinc/82/81/35/1093828135.db2.gz CBOQENQCFRSLKY-FQEVSTJZSA-N 1 1 363.509 4.412 20 30 FIEDMO CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513147283 1093903107 /nfs/dbraw/zinc/90/31/07/1093903107.db2.gz HOLGTWBHQSKZOM-ICSRJNTNSA-N 1 1 370.541 4.183 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000544190382 1093950608 /nfs/dbraw/zinc/95/06/08/1093950608.db2.gz MLKYLMDTAHONJN-JKSUJKDBSA-N 1 1 359.539 4.245 20 30 FIEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000513386861 1094091413 /nfs/dbraw/zinc/09/14/13/1094091413.db2.gz RFMCFQANNUDJOJ-INIZCTEOSA-N 1 1 361.445 4.004 20 30 FIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000513490927 1094160076 /nfs/dbraw/zinc/16/00/76/1094160076.db2.gz PZKRNXIEDXIEJC-SFHVURJKSA-N 1 1 352.478 4.441 20 30 FIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)cc1 ZINC000513515776 1094177275 /nfs/dbraw/zinc/17/72/75/1094177275.db2.gz QMEZQIIAFHHZLG-YKSBVNFPSA-N 1 1 372.468 4.288 20 30 FIEDMO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccco1 ZINC000513677845 1094269302 /nfs/dbraw/zinc/26/93/02/1094269302.db2.gz CVQOFNRAHYNXNN-HNNXBMFYSA-N 1 1 363.255 4.278 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C2CC2)cc1 ZINC000544367076 1094384318 /nfs/dbraw/zinc/38/43/18/1094384318.db2.gz KKDYZUYQAQYGHD-QHCPKHFHSA-N 1 1 362.473 4.281 20 30 FIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000428300967 1094639243 /nfs/dbraw/zinc/63/92/43/1094639243.db2.gz NPALJXWMXAKYRU-AWEZNQCLSA-N 1 1 353.372 4.357 20 30 FIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000428300967 1094639253 /nfs/dbraw/zinc/63/92/53/1094639253.db2.gz NPALJXWMXAKYRU-AWEZNQCLSA-N 1 1 353.372 4.357 20 30 FIEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237050908 1094670448 /nfs/dbraw/zinc/67/04/48/1094670448.db2.gz XOSUZJSCCBYLCH-YADHBBJMSA-N 1 1 363.505 4.100 20 30 FIEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237051635 1094670497 /nfs/dbraw/zinc/67/04/97/1094670497.db2.gz XOSUZJSCCBYLCH-VXKWHMMOSA-N 1 1 363.505 4.100 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2c1cccc2O ZINC000329013363 1094712268 /nfs/dbraw/zinc/71/22/68/1094712268.db2.gz IZKHHWKROCTHNK-YSGRDPCXSA-N 1 1 350.462 4.104 20 30 FIEDMO Cn1c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2nc1C1CC1 ZINC000329044945 1094722545 /nfs/dbraw/zinc/72/25/45/1094722545.db2.gz FKYSHDPOETZCQB-HXUWFJFHSA-N 1 1 366.509 4.314 20 30 FIEDMO O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329237633 1094791701 /nfs/dbraw/zinc/79/17/01/1094791701.db2.gz KLIBLNJRWPQNSM-QUCCMNQESA-N 1 1 367.493 4.183 20 30 FIEDMO O=C(N[C@H](CO)c1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329237631 1094792539 /nfs/dbraw/zinc/79/25/39/1094792539.db2.gz KLIBLNJRWPQNSM-AZUAARDMSA-N 1 1 367.493 4.183 20 30 FIEDMO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)ccc2[nH]1 ZINC000329272632 1094810662 /nfs/dbraw/zinc/81/06/62/1094810662.db2.gz AHKPZUNYJQAUJA-IBGZPJMESA-N 1 1 353.466 4.086 20 30 FIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]c1ncc(C2CCCCC2)s1 ZINC000329332988 1094845485 /nfs/dbraw/zinc/84/54/85/1094845485.db2.gz NCVKQRAOVDJKDK-INIZCTEOSA-N 1 1 373.526 4.406 20 30 FIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329332988 1094845510 /nfs/dbraw/zinc/84/55/10/1094845510.db2.gz NCVKQRAOVDJKDK-INIZCTEOSA-N 1 1 373.526 4.406 20 30 FIEDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCCS2)C1 ZINC000329336340 1094847307 /nfs/dbraw/zinc/84/73/07/1094847307.db2.gz PETWFGASVZQQKP-DOTOQJQBSA-N 1 1 361.511 4.308 20 30 FIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141905072 1094864088 /nfs/dbraw/zinc/86/40/88/1094864088.db2.gz PKAYPRRZQZAIJM-CQSZACIVSA-N 1 1 373.294 4.392 20 30 FIEDMO Cc1nc(C(C)(C)NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)no1 ZINC000329391073 1094878012 /nfs/dbraw/zinc/87/80/12/1094878012.db2.gz VHAHPLUNMIYFFJ-HNNXBMFYSA-N 1 1 371.485 4.076 20 30 FIEDMO Cc1nn2c(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)c(C(C)C)nc2s1 ZINC000544369640 1094927434 /nfs/dbraw/zinc/92/74/34/1094927434.db2.gz GZHORDMHAJUDKQ-UHFFFAOYSA-N 1 1 365.506 4.259 20 30 FIEDMO Cc1nn2c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)c(C(C)C)nc2s1 ZINC000544369640 1094927437 /nfs/dbraw/zinc/92/74/37/1094927437.db2.gz GZHORDMHAJUDKQ-UHFFFAOYSA-N 1 1 365.506 4.259 20 30 FIEDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Br)ccc1C#N ZINC001141908028 1094928613 /nfs/dbraw/zinc/92/86/13/1094928613.db2.gz XSHIPIDRSZUSFG-UHFFFAOYSA-N 1 1 372.310 4.409 20 30 FIEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Br)ccc1C#N ZINC001141908028 1094928617 /nfs/dbraw/zinc/92/86/17/1094928617.db2.gz XSHIPIDRSZUSFG-UHFFFAOYSA-N 1 1 372.310 4.409 20 30 FIEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329492086 1094936283 /nfs/dbraw/zinc/93/62/83/1094936283.db2.gz VYEJGURMDICPMV-RTBURBONSA-N 1 1 372.557 4.324 20 30 FIEDMO Cn1cc(C2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)cn1 ZINC000329531870 1094957071 /nfs/dbraw/zinc/95/70/71/1094957071.db2.gz WTMQNHBONHXFAM-UHFFFAOYSA-N 1 1 354.498 4.185 20 30 FIEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cccnc3C3CC3)CCCCC2)CCO1 ZINC000329615344 1095004036 /nfs/dbraw/zinc/00/40/36/1095004036.db2.gz DEQCSZUXHSSCQR-UHFFFAOYSA-N 1 1 371.525 4.077 20 30 FIEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000329627237 1095018426 /nfs/dbraw/zinc/01/84/26/1095018426.db2.gz UFGMPKAVQXDEMW-AWEZNQCLSA-N 1 1 359.495 4.165 20 30 FIEDMO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329629938 1095019791 /nfs/dbraw/zinc/01/97/91/1095019791.db2.gz QOISNNJJEAXDRB-GGPKGHCWSA-N 1 1 371.525 4.407 20 30 FIEDMO Cc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c(=O)[nH]1 ZINC000329650668 1095056876 /nfs/dbraw/zinc/05/68/76/1095056876.db2.gz CKESANNFCVLEHG-HNNXBMFYSA-N 1 1 354.454 4.190 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC(=O)N1 ZINC000329730302 1095239092 /nfs/dbraw/zinc/23/90/92/1095239092.db2.gz GEFZEGFXPFKVDF-UOVPBQLFSA-N 1 1 373.497 4.029 20 30 FIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1nc2ccccc2s1 ZINC000329805000 1095272166 /nfs/dbraw/zinc/27/21/66/1095272166.db2.gz KONUZKFQQDYGNK-USXIJHARSA-N 1 1 373.522 4.290 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C)c1 ZINC000329855637 1095293872 /nfs/dbraw/zinc/29/38/72/1095293872.db2.gz UELLUKYHQBZQJQ-SZMVWBNQSA-N 1 1 373.497 4.083 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C)c1 ZINC000329855637 1095293882 /nfs/dbraw/zinc/29/38/82/1095293882.db2.gz UELLUKYHQBZQJQ-SZMVWBNQSA-N 1 1 373.497 4.083 20 30 FIEDMO [O-]C(N[C@H](c1ccc(F)cc1)C1CCCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897230 1095308159 /nfs/dbraw/zinc/30/81/59/1095308159.db2.gz CUDJWHWJYGEQOL-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000329897230 1095308174 /nfs/dbraw/zinc/30/81/74/1095308174.db2.gz CUDJWHWJYGEQOL-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO [O-]C(N[C@H](c1ccc(F)cc1)C1CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897230 1095308190 /nfs/dbraw/zinc/30/81/90/1095308190.db2.gz CUDJWHWJYGEQOL-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO C[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000329914903 1095313029 /nfs/dbraw/zinc/31/30/29/1095313029.db2.gz YCARPSAFXLJJGM-NWDGAFQWSA-N 1 1 367.280 4.017 20 30 FIEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000329922734 1095316302 /nfs/dbraw/zinc/31/63/02/1095316302.db2.gz UBBNWUDPAIHJJT-GOSISDBHSA-N 1 1 372.900 4.156 20 30 FIEDMO CC1(C)CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502323416 1095349125 /nfs/dbraw/zinc/34/91/25/1095349125.db2.gz WCJIIUVTACHQDJ-NRFANRHFSA-N 1 1 367.537 4.199 20 30 FIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000330010332 1095349631 /nfs/dbraw/zinc/34/96/31/1095349631.db2.gz GWTAGJKQIYRHNJ-RLLQIKCJSA-N 1 1 370.472 4.045 20 30 FIEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000330010332 1095349654 /nfs/dbraw/zinc/34/96/54/1095349654.db2.gz GWTAGJKQIYRHNJ-RLLQIKCJSA-N 1 1 370.472 4.045 20 30 FIEDMO CCC1(CC)CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330094868 1095377618 /nfs/dbraw/zinc/37/76/18/1095377618.db2.gz UJZZAQPBZFFCBZ-UHFFFAOYSA-N 1 1 357.502 4.276 20 30 FIEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330136800 1095393634 /nfs/dbraw/zinc/39/36/34/1095393634.db2.gz ULAUNXHHGQGIJT-VGOFRKELSA-N 1 1 368.477 4.088 20 30 FIEDMO Cc1cnccc1OC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000330246624 1095433967 /nfs/dbraw/zinc/43/39/67/1095433967.db2.gz FGPIJXXAUFALKN-QGZVFWFLSA-N 1 1 359.514 4.159 20 30 FIEDMO C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2NC1=O ZINC000330292115 1095457067 /nfs/dbraw/zinc/45/70/67/1095457067.db2.gz GYYPOAAUXKZRHE-SUMWQHHRSA-N 1 1 357.454 4.441 20 30 FIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281134746 1095490429 /nfs/dbraw/zinc/49/04/29/1095490429.db2.gz AARDKIDHVAAPLW-FQEVSTJZSA-N 1 1 366.509 4.294 20 30 FIEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000502549356 1095574495 /nfs/dbraw/zinc/57/44/95/1095574495.db2.gz WVLWGLAUPIEGAK-UHFFFAOYSA-N 1 1 370.399 4.458 20 30 FIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121216939 1095598387 /nfs/dbraw/zinc/59/83/87/1095598387.db2.gz LHUCCACLNJIBSH-LAUBAEHRSA-N 1 1 362.477 4.075 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)CC1CCCCC1 ZINC000444081005 1095680709 /nfs/dbraw/zinc/68/07/09/1095680709.db2.gz KAYDBTXJWZGTRK-UHFFFAOYSA-N 1 1 357.523 4.327 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1ccccc1 ZINC000502648051 1095684094 /nfs/dbraw/zinc/68/40/94/1095684094.db2.gz DYYPRVSQQVZMOM-UHFFFAOYSA-N 1 1 354.519 4.055 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1ccccc1 ZINC000502648051 1095684104 /nfs/dbraw/zinc/68/41/04/1095684104.db2.gz DYYPRVSQQVZMOM-UHFFFAOYSA-N 1 1 354.519 4.055 20 30 FIEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502877784 1095914871 /nfs/dbraw/zinc/91/48/71/1095914871.db2.gz OXCKRHYRCUNADF-MRXNPFEDSA-N 1 1 353.441 4.327 20 30 FIEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000502910347 1095939758 /nfs/dbraw/zinc/93/97/58/1095939758.db2.gz WFWOBIPBXZELKG-QHCPKHFHSA-N 1 1 374.463 4.338 20 30 FIEDMO COc1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1OCCCC#N ZINC000503075269 1096053087 /nfs/dbraw/zinc/05/30/87/1096053087.db2.gz PSCAJVRVRJHFKU-UHFFFAOYSA-N 1 1 368.452 4.384 20 30 FIEDMO COc1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1OCCCC#N ZINC000503075269 1096053099 /nfs/dbraw/zinc/05/30/99/1096053099.db2.gz PSCAJVRVRJHFKU-UHFFFAOYSA-N 1 1 368.452 4.384 20 30 FIEDMO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000273253305 1096244441 /nfs/dbraw/zinc/24/44/41/1096244441.db2.gz HBOFPGWANHQOKN-CYBMUJFWSA-N 1 1 355.385 4.305 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(Cl)c1 ZINC000503390217 1096377150 /nfs/dbraw/zinc/37/71/50/1096377150.db2.gz JRCOSVRLNJOVPK-QGZVFWFLSA-N 1 1 354.885 4.124 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C)cc1 ZINC000532901698 1098591815 /nfs/dbraw/zinc/59/18/15/1098591815.db2.gz WBXYDPUFVNIEMV-UHFFFAOYSA-N 1 1 367.518 4.461 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000532982054 1098652452 /nfs/dbraw/zinc/65/24/52/1098652452.db2.gz ORKWVKUSMPXJFE-JOCHJYFZSA-N 1 1 373.500 4.060 20 30 FIEDMO CCc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000515549624 1098692028 /nfs/dbraw/zinc/69/20/28/1098692028.db2.gz HLCIALXLUACLKK-UHFFFAOYSA-N 1 1 363.505 4.245 20 30 FIEDMO CCc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000515549624 1098692053 /nfs/dbraw/zinc/69/20/53/1098692053.db2.gz HLCIALXLUACLKK-UHFFFAOYSA-N 1 1 363.505 4.245 20 30 FIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000533065962 1098732517 /nfs/dbraw/zinc/73/25/17/1098732517.db2.gz STYRNOCHBNUWOW-NRFANRHFSA-N 1 1 360.461 4.051 20 30 FIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000533065962 1098732527 /nfs/dbraw/zinc/73/25/27/1098732527.db2.gz STYRNOCHBNUWOW-NRFANRHFSA-N 1 1 360.461 4.051 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454763792 1098749045 /nfs/dbraw/zinc/74/90/45/1098749045.db2.gz ZAURGXSRUYUULZ-KDURUIRLSA-N 1 1 369.553 4.001 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COCc1ccccc1Cl ZINC000515769828 1098923401 /nfs/dbraw/zinc/92/34/01/1098923401.db2.gz KFRMRUATXUWWKM-SFHVURJKSA-N 1 1 363.860 4.045 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COCc1ccccc1Cl ZINC000515769828 1098923407 /nfs/dbraw/zinc/92/34/07/1098923407.db2.gz KFRMRUATXUWWKM-SFHVURJKSA-N 1 1 363.860 4.045 20 30 FIEDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425537126 1098983061 /nfs/dbraw/zinc/98/30/61/1098983061.db2.gz JWDKWFNSPJFWRQ-HNAYVOBHSA-N 1 1 367.518 4.149 20 30 FIEDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425537126 1098983063 /nfs/dbraw/zinc/98/30/63/1098983063.db2.gz JWDKWFNSPJFWRQ-HNAYVOBHSA-N 1 1 367.518 4.149 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000425535151 1098992980 /nfs/dbraw/zinc/99/29/80/1098992980.db2.gz MVQXYZIZEORRCE-SFHVURJKSA-N 1 1 361.489 4.377 20 30 FIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000533425208 1099045715 /nfs/dbraw/zinc/04/57/15/1099045715.db2.gz BFKWGSDGUQFTPZ-UHFFFAOYSA-N 1 1 368.525 4.414 20 30 FIEDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)cn1 ZINC000533445693 1099069821 /nfs/dbraw/zinc/06/98/21/1099069821.db2.gz CNIFHBDCJDOGRN-IBGZPJMESA-N 1 1 356.473 4.023 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(OC(F)F)c1 ZINC000505839136 1099073287 /nfs/dbraw/zinc/07/32/87/1099073287.db2.gz KTNIBOFFJMIZQJ-INIZCTEOSA-N 1 1 358.388 4.061 20 30 FIEDMO C[C@H](c1cccc(NCC#Cc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000533464404 1099075159 /nfs/dbraw/zinc/07/51/59/1099075159.db2.gz AJSGOCSGSRDAAT-QGZVFWFLSA-N 1 1 354.881 4.197 20 30 FIEDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1C#N ZINC000533538473 1099146034 /nfs/dbraw/zinc/14/60/34/1099146034.db2.gz MGBBVFRLKKSKER-UHFFFAOYSA-N 1 1 362.473 4.279 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000054011377 1099334812 /nfs/dbraw/zinc/33/48/12/1099334812.db2.gz QPRXNGUGYBLRNU-UHFFFAOYSA-N 1 1 372.472 4.498 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000246999353 1099379494 /nfs/dbraw/zinc/37/94/94/1099379494.db2.gz KVBVETWZMOSSAY-QZTJIDSGSA-N 1 1 371.550 4.029 20 30 FIEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000615054903 1099556223 /nfs/dbraw/zinc/55/62/23/1099556223.db2.gz VPQYKOLBUPBAPS-NRFANRHFSA-N 1 1 356.897 4.444 20 30 FIEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000437160232 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/nfs/dbraw/zinc/49/37/93/1102493793.db2.gz KNEKBXCQGSVXJD-KBPBESRZSA-N 1 1 359.539 4.336 20 30 FIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000532571076 1102493891 /nfs/dbraw/zinc/49/38/91/1102493891.db2.gz DDIIVOIEZJPPOO-BEFAXECRSA-N 1 1 353.491 4.340 20 30 FIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000532571076 1102493896 /nfs/dbraw/zinc/49/38/96/1102493896.db2.gz DDIIVOIEZJPPOO-BEFAXECRSA-N 1 1 353.491 4.340 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1OCCCC#N ZINC000093453577 1102573015 /nfs/dbraw/zinc/57/30/15/1102573015.db2.gz FHTZREWFSQDXAD-FQEVSTJZSA-N 1 1 365.477 4.418 20 30 FIEDMO C=CC[C@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)c1ccncc1 ZINC000925076835 1102648533 /nfs/dbraw/zinc/64/85/33/1102648533.db2.gz ZHIXDKWMKOMEHX-FZMZJTMJSA-N 1 1 350.235 4.346 20 30 FIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558991 1102671945 /nfs/dbraw/zinc/67/19/45/1102671945.db2.gz ODJUTFVUXITDCP-TZIWHRDSSA-N 1 1 354.425 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1103178091 /nfs/dbraw/zinc/17/80/91/1103178091.db2.gz DEUIQWZHOCBRAQ-KRWDZBQOSA-N 1 1 365.502 4.039 20 30 FIEDMO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000507177747 1103178100 /nfs/dbraw/zinc/17/81/00/1103178100.db2.gz DEUIQWZHOCBRAQ-KRWDZBQOSA-N 1 1 365.502 4.039 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000477167326 1103189892 /nfs/dbraw/zinc/18/98/92/1103189892.db2.gz VXJANONJGWXPBH-GOSISDBHSA-N 1 1 367.880 4.076 20 30 FIEDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F ZINC000538186780 1104023381 /nfs/dbraw/zinc/02/33/81/1104023381.db2.gz BTUSYKYOQYDEMI-QGZVFWFLSA-N 1 1 363.795 4.169 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1C#N ZINC000538231489 1104063619 /nfs/dbraw/zinc/06/36/19/1104063619.db2.gz PKGRQPYLGHOASH-MRXNPFEDSA-N 1 1 371.440 4.258 20 30 FIEDMO Clc1ccccc1C#CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000441149267 1104177316 /nfs/dbraw/zinc/17/73/16/1104177316.db2.gz VTNWAZUSWQXDSW-UXBLZVDNSA-N 1 1 350.893 4.023 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000441337666 1104280917 /nfs/dbraw/zinc/28/09/17/1104280917.db2.gz RLVGDVUXQLOELV-DYESRHJHSA-N 1 1 365.452 4.155 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000441337666 1104280925 /nfs/dbraw/zinc/28/09/25/1104280925.db2.gz RLVGDVUXQLOELV-DYESRHJHSA-N 1 1 365.452 4.155 20 30 FIEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441337553 1104282201 /nfs/dbraw/zinc/28/22/01/1104282201.db2.gz DGOBZAKTBXBPLN-FQEVSTJZSA-N 1 1 373.460 4.011 20 30 FIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441337553 1104282210 /nfs/dbraw/zinc/28/22/10/1104282210.db2.gz DGOBZAKTBXBPLN-FQEVSTJZSA-N 1 1 373.460 4.011 20 30 FIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC000328723897 1104534411 /nfs/dbraw/zinc/53/44/11/1104534411.db2.gz APRZYKWFWNGVRV-AOIWGVFYSA-N 1 1 356.514 4.454 20 30 FIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC000328723898 1104535207 /nfs/dbraw/zinc/53/52/07/1104535207.db2.gz APRZYKWFWNGVRV-LMMKCTJWSA-N 1 1 356.514 4.454 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000328765748 1104554167 /nfs/dbraw/zinc/55/41/67/1104554167.db2.gz GYBKDKGPJDQYSG-OAHLLOKOSA-N 1 1 358.486 4.023 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2ccccc2SC)C1 ZINC000328727267 1104556328 /nfs/dbraw/zinc/55/63/28/1104556328.db2.gz VANMOWRONSZYDV-HZPDHXFCSA-N 1 1 372.538 4.480 20 30 FIEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328840248 1104574459 /nfs/dbraw/zinc/57/44/59/1104574459.db2.gz OCVFZHXHDOYUGG-QLFBSQMISA-N 1 1 357.498 4.237 20 30 FIEDMO CC(C)CCn1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C(C)C ZINC000331108487 1104700430 /nfs/dbraw/zinc/70/04/30/1104700430.db2.gz JYCRMMNKAYIQHF-SJORKVTESA-N 1 1 363.550 4.013 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000331270642 1104709857 /nfs/dbraw/zinc/70/98/57/1104709857.db2.gz GANZKDZOTDSEHO-ULQDDVLXSA-N 1 1 374.554 4.288 20 30 FIEDMO CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000331309010 1104712760 /nfs/dbraw/zinc/71/27/60/1104712760.db2.gz YEOJFQWBEDCOLS-RDJZCZTQSA-N 1 1 374.529 4.084 20 30 FIEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000520462321 1104769099 /nfs/dbraw/zinc/76/90/99/1104769099.db2.gz KVDZXWYWOGYQDR-GOSISDBHSA-N 1 1 373.294 4.170 20 30 FIEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487390355 1104848630 /nfs/dbraw/zinc/84/86/30/1104848630.db2.gz KFAHYDVKHVKJFZ-NRFANRHFSA-N 1 1 364.489 4.094 20 30 FIEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487390355 1104848638 /nfs/dbraw/zinc/84/86/38/1104848638.db2.gz KFAHYDVKHVKJFZ-NRFANRHFSA-N 1 1 364.489 4.094 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000450932079 1106807644 /nfs/dbraw/zinc/80/76/44/1106807644.db2.gz QRDUGCBSEOAIFK-UHFFFAOYSA-N 1 1 374.257 4.177 20 30 FIEDMO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000609822777 1106850728 /nfs/dbraw/zinc/85/07/28/1106850728.db2.gz AASHDVKSPNIESO-INIZCTEOSA-N 1 1 350.462 4.475 20 30 FIEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000609822777 1106850749 /nfs/dbraw/zinc/85/07/49/1106850749.db2.gz AASHDVKSPNIESO-INIZCTEOSA-N 1 1 350.462 4.475 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000451006266 1106886107 /nfs/dbraw/zinc/88/61/07/1106886107.db2.gz RCRAPDWOELXTBX-MRXNPFEDSA-N 1 1 356.267 4.095 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000451189070 1106966891 /nfs/dbraw/zinc/96/68/91/1106966891.db2.gz RAXMKPFHZZTZAG-QINHECLXSA-N 1 1 358.445 4.375 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000451314413 1107020020 /nfs/dbraw/zinc/02/00/20/1107020020.db2.gz WVHQNFXCVKJLDA-KRWDZBQOSA-N 1 1 368.786 4.444 20 30 FIEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1 ZINC001271562240 1107092171 /nfs/dbraw/zinc/09/21/71/1107092171.db2.gz OWQAIFLXZALVEU-DZFGPLHGSA-N 1 1 353.510 4.063 20 30 FIEDMO N#CC1(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000530552919 1107136130 /nfs/dbraw/zinc/13/61/30/1107136130.db2.gz GYDPBFXHRYVZIQ-QGZVFWFLSA-N 1 1 356.267 4.021 20 30 FIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000451976997 1107421857 /nfs/dbraw/zinc/42/18/57/1107421857.db2.gz ZMMCVDBPLMVGCK-KRWDZBQOSA-N 1 1 357.454 4.233 20 30 FIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000530963857 1107425804 /nfs/dbraw/zinc/42/58/04/1107425804.db2.gz HGZWCQLLLPOZDR-HSZRJFAPSA-N 1 1 372.472 4.453 20 30 FIEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000452108810 1107477399 /nfs/dbraw/zinc/47/73/99/1107477399.db2.gz FYFNIKNSIINNQJ-UHFFFAOYSA-N 1 1 358.835 4.040 20 30 FIEDMO CN(CC#Cc1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108810 1107477405 /nfs/dbraw/zinc/47/74/05/1107477405.db2.gz FYFNIKNSIINNQJ-UHFFFAOYSA-N 1 1 358.835 4.040 20 30 FIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000609915488 1107624821 /nfs/dbraw/zinc/62/48/21/1107624821.db2.gz ASEPOPBUJZMRMF-KRWDZBQOSA-N 1 1 369.896 4.150 20 30 FIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000531343971 1107785957 /nfs/dbraw/zinc/78/59/57/1107785957.db2.gz RHOXGXNYWXQZEX-OXJNMPFZSA-N 1 1 358.445 4.061 20 30 FIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000444675499 1108077528 /nfs/dbraw/zinc/07/75/28/1108077528.db2.gz RNFUPUNMXVCYCD-INIZCTEOSA-N 1 1 353.304 4.134 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000444683807 1108085279 /nfs/dbraw/zinc/08/52/79/1108085279.db2.gz ZQECEGMJBAEAKG-GOSISDBHSA-N 1 1 367.493 4.347 20 30 FIEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCC(C)(C)C#N)CC1 ZINC000444689072 1108090833 /nfs/dbraw/zinc/09/08/33/1108090833.db2.gz MCGUIRRFBUNNKU-GOSISDBHSA-N 1 1 374.548 4.338 20 30 FIEDMO O[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000444745243 1108147677 /nfs/dbraw/zinc/14/76/77/1108147677.db2.gz SZNCUXHCNWKBEQ-VHSXEESVSA-N 1 1 369.227 4.212 20 30 FIEDMO C=CC[C@@H]1[N@@H+](Cc2nc(-c3ccc(OC)cc3OC)no2)CCCC1(C)C ZINC000444782531 1108156896 /nfs/dbraw/zinc/15/68/96/1108156896.db2.gz JCQIRXKMTLZYIF-SFHVURJKSA-N 1 1 371.481 4.321 20 30 FIEDMO CC(C)[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccccc1 ZINC000444811165 1108184482 /nfs/dbraw/zinc/18/44/82/1108184482.db2.gz HHLGRBSHWQNCRD-HXUWFJFHSA-N 1 1 366.505 4.138 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000523755306 1108501008 /nfs/dbraw/zinc/50/10/08/1108501008.db2.gz LCODGXIUHWWPAC-CZUORRHYSA-N 1 1 360.383 4.219 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000523755304 1108501464 /nfs/dbraw/zinc/50/14/64/1108501464.db2.gz LCODGXIUHWWPAC-BBRMVZONSA-N 1 1 360.383 4.219 20 30 FIEDMO CC(C)O[C@H](C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)c1ccccc1 ZINC000428400495 1108684227 /nfs/dbraw/zinc/68/42/27/1108684227.db2.gz PFFGHWHKAWOCAY-DHIUTWEWSA-N 1 1 363.505 4.035 20 30 FIEDMO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000665899735 1108716562 /nfs/dbraw/zinc/71/65/62/1108716562.db2.gz LIKCKROLSNUZSG-QGZVFWFLSA-N 1 1 359.539 4.055 20 30 FIEDMO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000440831001 1108940000 /nfs/dbraw/zinc/94/00/00/1108940000.db2.gz LNSKVZFFDFLPAK-SFHVURJKSA-N 1 1 363.505 4.089 20 30 FIEDMO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000440831001 1108940001 /nfs/dbraw/zinc/94/00/01/1108940001.db2.gz LNSKVZFFDFLPAK-SFHVURJKSA-N 1 1 363.505 4.089 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000524619842 1109099914 /nfs/dbraw/zinc/09/99/14/1109099914.db2.gz LAYNNHLBTBSJFZ-DNVCBOLYSA-N 1 1 366.461 4.327 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2c(C#N)nnc3ccccc32)cc1 ZINC000524847754 1109178460 /nfs/dbraw/zinc/17/84/60/1109178460.db2.gz IXGBLUJNBNUZPE-KRWDZBQOSA-N 1 1 371.488 4.488 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000524908097 1109199237 /nfs/dbraw/zinc/19/92/37/1109199237.db2.gz MXULSXOIOZZBRR-IERDGZPVSA-N 1 1 368.502 4.124 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109630 1109338997 /nfs/dbraw/zinc/33/89/97/1109338997.db2.gz GVIXYJQEESMQNL-KXBFYZLASA-N 1 1 365.477 4.221 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109630 1109339003 /nfs/dbraw/zinc/33/90/03/1109339003.db2.gz GVIXYJQEESMQNL-KXBFYZLASA-N 1 1 365.477 4.221 20 30 FIEDMO N#Cc1nnc2ccccc2c1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000525356416 1109350212 /nfs/dbraw/zinc/35/02/12/1109350212.db2.gz AAIBAHKIUXHXIV-UHFFFAOYSA-N 1 1 354.417 4.321 20 30 FIEDMO COc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000525885861 1109545023 /nfs/dbraw/zinc/54/50/23/1109545023.db2.gz WBTPZMMXLDUNAO-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441270432 1109550535 /nfs/dbraw/zinc/55/05/35/1109550535.db2.gz OSRRACQIFDLALH-HUUCEWRRSA-N 1 1 360.860 4.165 20 30 FIEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000448363385 1109777917 /nfs/dbraw/zinc/77/79/17/1109777917.db2.gz BWCIYKYTFVZYDM-GCJKJVERSA-N 1 1 364.489 4.263 20 30 FIEDMO COc1cc(C[NH2+]Cc2nn(CCC(C)C)c3ccccc23)ccc1C#N ZINC000449487983 1110090855 /nfs/dbraw/zinc/09/08/55/1110090855.db2.gz BKPGTWLUAJWGGT-UHFFFAOYSA-N 1 1 362.477 4.252 20 30 FIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)CC1CCC(=O)CC1 ZINC000450331805 1110282472 /nfs/dbraw/zinc/28/24/72/1110282472.db2.gz WDYYETJPWDAOFJ-UHFFFAOYSA-N 1 1 354.263 4.336 20 30 FIEDMO CC[N@H+](Cc1ncc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000529524636 1110283852 /nfs/dbraw/zinc/28/38/52/1110283852.db2.gz VTNBUAYBKUDTKR-GFCCVEGCSA-N 1 1 362.246 4.438 20 30 FIEDMO CC[N@@H+](Cc1ncc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000529524636 1110283855 /nfs/dbraw/zinc/28/38/55/1110283855.db2.gz VTNBUAYBKUDTKR-GFCCVEGCSA-N 1 1 362.246 4.438 20 30 FIEDMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000538728257 1111265628 /nfs/dbraw/zinc/26/56/28/1111265628.db2.gz IRABQZCJHABZDW-FGZHOGPDSA-N 1 1 372.472 4.357 20 30 FIEDMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000538728257 1111265631 /nfs/dbraw/zinc/26/56/31/1111265631.db2.gz IRABQZCJHABZDW-FGZHOGPDSA-N 1 1 372.472 4.357 20 30 FIEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000538733311 1111269117 /nfs/dbraw/zinc/26/91/17/1111269117.db2.gz GRAIKEHWBKJLFN-GOSISDBHSA-N 1 1 356.473 4.411 20 30 FIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000538749856 1111280277 /nfs/dbraw/zinc/28/02/77/1111280277.db2.gz JMXCNKHZVDUUSM-HXUWFJFHSA-N 1 1 350.441 4.044 20 30 FIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000539270496 1111493198 /nfs/dbraw/zinc/49/31/98/1111493198.db2.gz LKESTEVIXXGOJA-LLVKDONJSA-N 1 1 350.340 4.158 20 30 FIEDMO C=CCCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000539389988 1111548150 /nfs/dbraw/zinc/54/81/50/1111548150.db2.gz WYNRKDKESOMBTG-LBFURVHYSA-N 1 1 355.526 4.226 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl ZINC000478029263 1111656656 /nfs/dbraw/zinc/65/66/56/1111656656.db2.gz BHYFJEKFQPWBSC-UHFFFAOYSA-N 1 1 355.869 4.455 20 30 FIEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000478103073 1111676886 /nfs/dbraw/zinc/67/68/86/1111676886.db2.gz MNSQYIRMAKNPHD-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000478103073 1111676888 /nfs/dbraw/zinc/67/68/88/1111676888.db2.gz MNSQYIRMAKNPHD-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000552523003 1111732714 /nfs/dbraw/zinc/73/27/14/1111732714.db2.gz QBRHRPWJVORXMZ-UHFFFAOYSA-N 1 1 371.278 4.364 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC(C)(C)CCC#N ZINC000478831261 1111897278 /nfs/dbraw/zinc/89/72/78/1111897278.db2.gz FOVPMVNOFLKUSO-SFHVURJKSA-N 1 1 370.541 4.190 20 30 FIEDMO Cc1ccc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)C)s1 ZINC000478948781 1111920509 /nfs/dbraw/zinc/92/05/09/1111920509.db2.gz AHOAKSZFMAWJMQ-UHFFFAOYSA-N 1 1 361.536 4.456 20 30 FIEDMO Cc1ccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)C)s1 ZINC000478948781 1111920510 /nfs/dbraw/zinc/92/05/10/1111920510.db2.gz AHOAKSZFMAWJMQ-UHFFFAOYSA-N 1 1 361.536 4.456 20 30 FIEDMO CCC[N@@H+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000553243272 1111936227 /nfs/dbraw/zinc/93/62/27/1111936227.db2.gz WIGJTJYOHSEYFP-KRWDZBQOSA-N 1 1 373.844 4.010 20 30 FIEDMO Cc1cccc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000479292578 1111986264 /nfs/dbraw/zinc/98/62/64/1111986264.db2.gz WCVKXYDSBGUXAO-UHFFFAOYSA-N 1 1 373.456 4.029 20 30 FIEDMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000479564735 1112073853 /nfs/dbraw/zinc/07/38/53/1112073853.db2.gz RFFGXVHZSMXCFA-GOSISDBHSA-N 1 1 367.880 4.087 20 30 FIEDMO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000553867818 1112115375 /nfs/dbraw/zinc/11/53/75/1112115375.db2.gz ZKISDAHWKMXBIY-SFHVURJKSA-N 1 1 373.500 4.172 20 30 FIEDMO C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000554849102 1112528263 /nfs/dbraw/zinc/52/82/63/1112528263.db2.gz USOPBNLQZWLEOV-FDDCHVKYSA-N 1 1 369.468 4.267 20 30 FIEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000480671029 1112537733 /nfs/dbraw/zinc/53/77/33/1112537733.db2.gz DPCZAJQDTUAODF-ZUOKHONESA-N 1 1 352.388 4.010 20 30 FIEDMO C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765748 1112585210 /nfs/dbraw/zinc/58/52/10/1112585210.db2.gz PSIOWTBDXRYPNM-OPAMFIHVSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765748 1112585216 /nfs/dbraw/zinc/58/52/16/1112585216.db2.gz PSIOWTBDXRYPNM-OPAMFIHVSA-N 1 1 351.469 4.259 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000600180101 1112917524 /nfs/dbraw/zinc/91/75/24/1112917524.db2.gz ZCWMBOBQYOHFML-LLVKDONJSA-N 1 1 365.300 4.026 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1OCCCC#N ZINC000600214789 1112930103 /nfs/dbraw/zinc/93/01/03/1112930103.db2.gz SVPALTIHEKRYSW-IBGZPJMESA-N 1 1 366.461 4.073 20 30 FIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1F ZINC000600214272 1112930156 /nfs/dbraw/zinc/93/01/56/1112930156.db2.gz OGQCILJCXRYKGK-SFHVURJKSA-N 1 1 350.437 4.379 20 30 FIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000555664603 1112960101 /nfs/dbraw/zinc/96/01/01/1112960101.db2.gz PJIMCBLJSNUQSL-OAHLLOKOSA-N 1 1 370.522 4.468 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000481609112 1112994201 /nfs/dbraw/zinc/99/42/01/1112994201.db2.gz NGRPJTPUWJPPLZ-MGPUTAFESA-N 1 1 358.432 4.219 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000481604059 1112996243 /nfs/dbraw/zinc/99/62/43/1112996243.db2.gz KKWVEFMGYBIBSS-OAQYLSRUSA-N 1 1 370.443 4.020 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000481615385 1112997010 /nfs/dbraw/zinc/99/70/10/1112997010.db2.gz XEXGPOIKKDKZEU-ORAYPTAESA-N 1 1 360.404 4.207 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000481625404 1113003804 /nfs/dbraw/zinc/00/38/04/1113003804.db2.gz KXXLWQNKPBMVDO-DJJJIMSYSA-N 1 1 362.395 4.016 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000481762770 1113075288 /nfs/dbraw/zinc/07/52/88/1113075288.db2.gz BOKWGCBVXYKIMY-UHFFFAOYSA-N 1 1 350.849 4.107 20 30 FIEDMO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000482175105 1113192885 /nfs/dbraw/zinc/19/28/85/1113192885.db2.gz YURMJPOIBVBLOO-NPPFBWRTSA-N 1 1 351.494 4.104 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000159869037 1113256523 /nfs/dbraw/zinc/25/65/23/1113256523.db2.gz CPXAKYZZJKZXKX-UHFFFAOYSA-N 1 1 354.450 4.018 20 30 FIEDMO C=CC[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000482619139 1113312116 /nfs/dbraw/zinc/31/21/16/1113312116.db2.gz JYAMUMBUKHXNMZ-MRXNPFEDSA-N 1 1 355.309 4.447 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111307048 1113349598 /nfs/dbraw/zinc/34/95/98/1113349598.db2.gz HKLRWHYQWIRIBC-KRWDZBQOSA-N 1 1 353.853 4.030 20 30 FIEDMO C=C(C)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000483305373 1113484027 /nfs/dbraw/zinc/48/40/27/1113484027.db2.gz LZDNBPCVEUSCTR-OGWOLHLISA-N 1 1 365.468 4.096 20 30 FIEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000488167205 1113868265 /nfs/dbraw/zinc/86/82/65/1113868265.db2.gz NUNBBGIHAMLEGY-AWEZNQCLSA-N 1 1 374.357 4.359 20 30 FIEDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488298364 1113903604 /nfs/dbraw/zinc/90/36/04/1113903604.db2.gz WTSXDJDHTMATEK-INIZCTEOSA-N 1 1 373.497 4.087 20 30 FIEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000488323860 1113912192 /nfs/dbraw/zinc/91/21/92/1113912192.db2.gz RJHXCHMDRDAVMP-GOSISDBHSA-N 1 1 358.530 4.464 20 30 FIEDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488509786 1113944329 /nfs/dbraw/zinc/94/43/29/1113944329.db2.gz AULFCQUSAFYEIM-CYBMUJFWSA-N 1 1 371.481 4.097 20 30 FIEDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488509786 1113944331 /nfs/dbraw/zinc/94/43/31/1113944331.db2.gz AULFCQUSAFYEIM-CYBMUJFWSA-N 1 1 371.481 4.097 20 30 FIEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488517206 1113948195 /nfs/dbraw/zinc/94/81/95/1113948195.db2.gz UERYVXPWEIXGSG-AWEZNQCLSA-N 1 1 371.868 4.069 20 30 FIEDMO CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488557168 1113951453 /nfs/dbraw/zinc/95/14/53/1113951453.db2.gz UDHQPKYOMBAQRS-GOSISDBHSA-N 1 1 367.468 4.025 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000488624324 1113963098 /nfs/dbraw/zinc/96/30/98/1113963098.db2.gz FFOZWTYRDWQCEP-HNNXBMFYSA-N 1 1 351.425 4.324 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028895995 1114088299 /nfs/dbraw/zinc/08/82/99/1114088299.db2.gz TVOBRZMHQWAFGX-QWRGUYRKSA-N 1 1 363.795 4.168 20 30 FIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490053818 1114211358 /nfs/dbraw/zinc/21/13/58/1114211358.db2.gz AMHJPMQAEYPRKS-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490053818 1114211363 /nfs/dbraw/zinc/21/13/63/1114211363.db2.gz AMHJPMQAEYPRKS-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO C#CCOc1ccccc1CNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000913170120 1114304850 /nfs/dbraw/zinc/30/48/50/1114304850.db2.gz HWIWEHUYZMIPQB-UHFFFAOYSA-N 1 1 362.517 4.220 20 30 FIEDMO N#C[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC12CCCC2 ZINC000571030185 1114424812 /nfs/dbraw/zinc/42/48/12/1114424812.db2.gz GXBDFPRMCCLPMF-RXVVDRJESA-N 1 1 371.912 4.067 20 30 FIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cc1 ZINC000164333963 1114472556 /nfs/dbraw/zinc/47/25/56/1114472556.db2.gz HRNPYKODSNDRRX-HXUWFJFHSA-N 1 1 373.500 4.379 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCc2ccccc21 ZINC000164444223 1114495688 /nfs/dbraw/zinc/49/56/88/1114495688.db2.gz YIUYCGLBHIHVPN-SFHVURJKSA-N 1 1 365.502 4.056 20 30 FIEDMO N#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000588157393 1114530482 /nfs/dbraw/zinc/53/04/82/1114530482.db2.gz MQIPGXFVUABGMG-LJQANCHMSA-N 1 1 361.917 4.285 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540684 /nfs/dbraw/zinc/54/06/84/1114540684.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 1 1 353.535 4.077 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540687 /nfs/dbraw/zinc/54/06/87/1114540687.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 1 1 353.535 4.077 20 30 FIEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540691 /nfs/dbraw/zinc/54/06/91/1114540691.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 1 1 353.535 4.077 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540694 /nfs/dbraw/zinc/54/06/94/1114540694.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 1 1 353.535 4.077 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000572319742 1114629157 /nfs/dbraw/zinc/62/91/57/1114629157.db2.gz CHCZIOKPQSHJMO-QHCPKHFHSA-N 1 1 366.480 4.054 20 30 FIEDMO C[C@H](c1cc(F)ccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056282818 1114682141 /nfs/dbraw/zinc/68/21/41/1114682141.db2.gz RTIGQLPAKJFOSO-MRXNPFEDSA-N 1 1 355.432 4.105 20 30 FIEDMO CCN(Cc1cccc(F)c1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000589985094 1114875370 /nfs/dbraw/zinc/87/53/70/1114875370.db2.gz ZZDCSOXJSZMLRW-IBGZPJMESA-N 1 1 351.469 4.041 20 30 FIEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000590132590 1114902972 /nfs/dbraw/zinc/90/29/72/1114902972.db2.gz MKQPHZKEXHFQGJ-UHFFFAOYSA-N 1 1 361.489 4.034 20 30 FIEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653764 1114960032 /nfs/dbraw/zinc/96/00/32/1114960032.db2.gz NSQGPRZVTSERHM-MHECFPHRSA-N 1 1 359.517 4.231 20 30 FIEDMO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653764 1114960034 /nfs/dbraw/zinc/96/00/34/1114960034.db2.gz NSQGPRZVTSERHM-MHECFPHRSA-N 1 1 359.517 4.231 20 30 FIEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000590951680 1114996105 /nfs/dbraw/zinc/99/61/05/1114996105.db2.gz BDPNVSVPJUANNS-NQIIRXRSSA-N 1 1 365.433 4.066 20 30 FIEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000590951680 1114996106 /nfs/dbraw/zinc/99/61/06/1114996106.db2.gz BDPNVSVPJUANNS-NQIIRXRSSA-N 1 1 365.433 4.066 20 30 FIEDMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)cs2)cc1 ZINC000573244065 1115085979 /nfs/dbraw/zinc/08/59/79/1115085979.db2.gz OCWAYYGTJMZTED-UHFFFAOYSA-N 1 1 369.490 4.112 20 30 FIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000058072978 1115091003 /nfs/dbraw/zinc/09/10/03/1115091003.db2.gz RFWFFPAFNJAQKA-SFHVURJKSA-N 1 1 369.490 4.184 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000573732684 1115178533 /nfs/dbraw/zinc/17/85/33/1115178533.db2.gz MBZMDLRHCBDEHG-ZWKOTPCHSA-N 1 1 368.308 4.089 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(NC3(c4ccccc4Cl)CC3)CC2)cc1 ZINC000592372868 1115219907 /nfs/dbraw/zinc/21/99/07/1115219907.db2.gz YVVGJQYYRZQEDN-UHFFFAOYSA-N 1 1 365.908 4.455 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592187162 1115220200 /nfs/dbraw/zinc/22/02/00/1115220200.db2.gz LQMZHLBLJVVOIT-LAUBAEHRSA-N 1 1 357.457 4.279 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592187162 1115220204 /nfs/dbraw/zinc/22/02/04/1115220204.db2.gz LQMZHLBLJVVOIT-LAUBAEHRSA-N 1 1 357.457 4.279 20 30 FIEDMO COC(=O)c1cccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1C#N ZINC000592185378 1115222483 /nfs/dbraw/zinc/22/24/83/1115222483.db2.gz YIPPLNNTISLOOU-UHFFFAOYSA-N 1 1 354.837 4.167 20 30 FIEDMO Oc1ccc2ccccc2c1/C=N\C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760978702 1115236350 /nfs/dbraw/zinc/23/63/50/1115236350.db2.gz GSQIOAGNOVXAFY-FFAHCDIZSA-N 1 1 374.484 4.255 20 30 FIEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593653050 1115337390 /nfs/dbraw/zinc/33/73/90/1115337390.db2.gz ZHDLMPFEQPAKFH-UHFFFAOYSA-N 1 1 366.509 4.487 20 30 FIEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000593944632 1115354907 /nfs/dbraw/zinc/35/49/07/1115354907.db2.gz YLVIYHJNDIDZET-GOSISDBHSA-N 1 1 362.433 4.399 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(Cl)c1 ZINC000059038156 1115403080 /nfs/dbraw/zinc/40/30/80/1115403080.db2.gz QWIOVSXULWJAEC-UHFFFAOYSA-N 1 1 361.917 4.235 20 30 FIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000594495660 1115450085 /nfs/dbraw/zinc/45/00/85/1115450085.db2.gz SASHWBSUEOJNDU-UHFFFAOYSA-N 1 1 370.500 4.452 20 30 FIEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000594500670 1115451073 /nfs/dbraw/zinc/45/10/73/1115451073.db2.gz AREXNIJZCWSNJN-QFIPXVFZSA-N 1 1 361.533 4.142 20 30 FIEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000594500670 1115451076 /nfs/dbraw/zinc/45/10/76/1115451076.db2.gz AREXNIJZCWSNJN-QFIPXVFZSA-N 1 1 361.533 4.142 20 30 FIEDMO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594511451 1115456879 /nfs/dbraw/zinc/45/68/79/1115456879.db2.gz NIQRFCRNEFFCNC-OAQYLSRUSA-N 1 1 358.489 4.295 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000592784090 1115470990 /nfs/dbraw/zinc/47/09/90/1115470990.db2.gz ZROJUBGUCCCUOI-KRWDZBQOSA-N 1 1 372.472 4.252 20 30 FIEDMO N#CCCC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000574812157 1115496149 /nfs/dbraw/zinc/49/61/49/1115496149.db2.gz OUWAXHDBLLQXIL-LJQANCHMSA-N 1 1 368.525 4.036 20 30 FIEDMO CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000595295762 1115521472 /nfs/dbraw/zinc/52/14/72/1115521472.db2.gz RHNSQLFJAFHKFE-FOIQADDNSA-N 1 1 365.502 4.444 20 30 FIEDMO CCCc1[nH+]ccn1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000158151985 1115529625 /nfs/dbraw/zinc/52/96/25/1115529625.db2.gz FBQJZVGIBIASAW-UHFFFAOYSA-N 1 1 361.445 4.343 20 30 FIEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595472546 1115538323 /nfs/dbraw/zinc/53/83/23/1115538323.db2.gz MTMOEKSTFMMMLV-APWZRJJASA-N 1 1 354.885 4.317 20 30 FIEDMO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc(Cl)cc3C#N)CC2)nn1 ZINC000595528460 1115540792 /nfs/dbraw/zinc/54/07/92/1115540792.db2.gz YZAJTKYHDPSMBE-UHFFFAOYSA-N 1 1 355.873 4.063 20 30 FIEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(Cl)cc3C#N)CC2)nn1 ZINC000595528460 1115540795 /nfs/dbraw/zinc/54/07/95/1115540795.db2.gz YZAJTKYHDPSMBE-UHFFFAOYSA-N 1 1 355.873 4.063 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(CN3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623902 1115551654 /nfs/dbraw/zinc/55/16/54/1115551654.db2.gz YAFVEKKABCGERU-MOPGFXCFSA-N 1 1 368.500 4.077 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000595610339 1115553277 /nfs/dbraw/zinc/55/32/77/1115553277.db2.gz WSVUTAKVDQQOLN-SFHVURJKSA-N 1 1 371.500 4.113 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000595610339 1115553280 /nfs/dbraw/zinc/55/32/80/1115553280.db2.gz WSVUTAKVDQQOLN-SFHVURJKSA-N 1 1 371.500 4.113 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000595613718 1115553778 /nfs/dbraw/zinc/55/37/78/1115553778.db2.gz GMMBFACEVOFOQA-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000595613718 1115553779 /nfs/dbraw/zinc/55/37/79/1115553779.db2.gz GMMBFACEVOFOQA-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000595661210 1115555554 /nfs/dbraw/zinc/55/55/54/1115555554.db2.gz XHQCSLDZNRVYRX-IRXDYDNUSA-N 1 1 357.523 4.165 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000595661210 1115555556 /nfs/dbraw/zinc/55/55/56/1115555556.db2.gz XHQCSLDZNRVYRX-IRXDYDNUSA-N 1 1 357.523 4.165 20 30 FIEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000595660506 1115555767 /nfs/dbraw/zinc/55/57/67/1115555767.db2.gz SSNHUMMUNZDZJL-IRXDYDNUSA-N 1 1 357.523 4.307 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000595660506 1115555771 /nfs/dbraw/zinc/55/57/71/1115555771.db2.gz SSNHUMMUNZDZJL-IRXDYDNUSA-N 1 1 357.523 4.307 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595675469 1115556188 /nfs/dbraw/zinc/55/61/88/1115556188.db2.gz MYVFUTCYENBSNF-HXUWFJFHSA-N 1 1 352.434 4.156 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595675469 1115556194 /nfs/dbraw/zinc/55/61/94/1115556194.db2.gz MYVFUTCYENBSNF-HXUWFJFHSA-N 1 1 352.434 4.156 20 30 FIEDMO N#Cc1cccc(C2([NH2+]Cc3csc(C4CCCC4)n3)CCOCC2)c1 ZINC000595775722 1115562715 /nfs/dbraw/zinc/56/27/15/1115562715.db2.gz WLEYTGVPLWQWFL-UHFFFAOYSA-N 1 1 367.518 4.468 20 30 FIEDMO N#CCCC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000595782344 1115562726 /nfs/dbraw/zinc/56/27/26/1115562726.db2.gz YMUAMTNYCJXNLS-FPOVZHCZSA-N 1 1 368.525 4.128 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CCCCC4)C3)o2)c1 ZINC000595881589 1115565673 /nfs/dbraw/zinc/56/56/73/1115565673.db2.gz UIKOMGXYBRBWNU-LJQANCHMSA-N 1 1 350.466 4.401 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000595878361 1115567281 /nfs/dbraw/zinc/56/72/81/1115567281.db2.gz NMZMPFLCXJZGIW-LJQANCHMSA-N 1 1 350.466 4.401 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596105884 1115572939 /nfs/dbraw/zinc/57/29/39/1115572939.db2.gz QIIMBWHTJVUWFR-UHFFFAOYSA-N 1 1 360.914 4.017 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000596982212 1115631357 /nfs/dbraw/zinc/63/13/57/1115631357.db2.gz WNZMTDCRXLPCCD-FQEVSTJZSA-N 1 1 352.865 4.469 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000596982212 1115631360 /nfs/dbraw/zinc/63/13/60/1115631360.db2.gz WNZMTDCRXLPCCD-FQEVSTJZSA-N 1 1 352.865 4.469 20 30 FIEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596983010 1115631583 /nfs/dbraw/zinc/63/15/83/1115631583.db2.gz CFENWMSQNOBVII-KRWDZBQOSA-N 1 1 357.461 4.015 20 30 FIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000597004270 1115632305 /nfs/dbraw/zinc/63/23/05/1115632305.db2.gz YNCLDDXUFVQJEF-UHFFFAOYSA-N 1 1 359.517 4.338 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)cc2)CC1 ZINC000597133806 1115642838 /nfs/dbraw/zinc/64/28/38/1115642838.db2.gz ZRRNFGNSPVAADW-QHCPKHFHSA-N 1 1 360.501 4.059 20 30 FIEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OCC(F)(F)F ZINC000597172500 1115644327 /nfs/dbraw/zinc/64/43/27/1115644327.db2.gz BECDNEORBWYDQL-CQSZACIVSA-N 1 1 356.388 4.152 20 30 FIEDMO C[N@@H+](CC1=CCSC1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000597241960 1115650652 /nfs/dbraw/zinc/65/06/52/1115650652.db2.gz BURMXVULQUNGSY-UHFFFAOYSA-N 1 1 350.487 4.242 20 30 FIEDMO C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597495085 1115669678 /nfs/dbraw/zinc/66/96/78/1115669678.db2.gz UTKHNUQAZAIMCX-OAUYIBNBSA-N 1 1 365.880 4.059 20 30 FIEDMO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597495085 1115669679 /nfs/dbraw/zinc/66/96/79/1115669679.db2.gz UTKHNUQAZAIMCX-OAUYIBNBSA-N 1 1 365.880 4.059 20 30 FIEDMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602908242 1115731684 /nfs/dbraw/zinc/73/16/84/1115731684.db2.gz BJYHTDDCJPQKDL-MRXNPFEDSA-N 1 1 373.460 4.252 20 30 FIEDMO N#Cc1ccc(C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)nc1 ZINC000602911369 1115731888 /nfs/dbraw/zinc/73/18/88/1115731888.db2.gz YQVDVAGWPASFLK-UHFFFAOYSA-N 1 1 362.408 4.127 20 30 FIEDMO Cc1ccc(-c2nc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)co2)cc1 ZINC000602909976 1115732024 /nfs/dbraw/zinc/73/20/24/1115732024.db2.gz BJGDLJSVOQMCFL-UHFFFAOYSA-N 1 1 358.445 4.296 20 30 FIEDMO N#Cc1ccc(C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)nc1 ZINC000602914112 1115733667 /nfs/dbraw/zinc/73/36/67/1115733667.db2.gz XZZSQMVUIAANGM-UHFFFAOYSA-N 1 1 362.408 4.127 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000598610523 1115739867 /nfs/dbraw/zinc/73/98/67/1115739867.db2.gz HBMJQLMDVFMUDP-CZUORRHYSA-N 1 1 369.278 4.026 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000598610523 1115739871 /nfs/dbraw/zinc/73/98/71/1115739871.db2.gz HBMJQLMDVFMUDP-CZUORRHYSA-N 1 1 369.278 4.026 20 30 FIEDMO CCCC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598641331 1115741754 /nfs/dbraw/zinc/74/17/54/1115741754.db2.gz RMLUSNNKPVHBNI-NRFANRHFSA-N 1 1 355.526 4.055 20 30 FIEDMO CCCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598641331 1115741756 /nfs/dbraw/zinc/74/17/56/1115741756.db2.gz RMLUSNNKPVHBNI-NRFANRHFSA-N 1 1 355.526 4.055 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000598688533 1115746368 /nfs/dbraw/zinc/74/63/68/1115746368.db2.gz VADSYXZHGSHXBP-OAHLLOKOSA-N 1 1 373.859 4.246 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000598688533 1115746371 /nfs/dbraw/zinc/74/63/71/1115746371.db2.gz VADSYXZHGSHXBP-OAHLLOKOSA-N 1 1 373.859 4.246 20 30 FIEDMO N#CCCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000599144475 1115793053 /nfs/dbraw/zinc/79/30/53/1115793053.db2.gz MWDKICABTOCMAD-LEWJYISDSA-N 1 1 368.525 4.128 20 30 FIEDMO CC1(C)CCC[C@@H]1[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599305726 1115805456 /nfs/dbraw/zinc/80/54/56/1115805456.db2.gz CCKDSDPUGFQMBQ-SFTDATJTSA-N 1 1 370.537 4.139 20 30 FIEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000599271532 1115805514 /nfs/dbraw/zinc/80/55/14/1115805514.db2.gz ZGPKXCZWAUTRSX-IEBWSBKVSA-N 1 1 370.493 4.277 20 30 FIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599343036 1115808458 /nfs/dbraw/zinc/80/84/58/1115808458.db2.gz MEEMAOXPHVNPTI-NHCUHLMSSA-N 1 1 356.510 4.018 20 30 FIEDMO 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VGYVESCRNJLVKV-IRLDBZIGSA-N 1 1 360.436 4.191 20 30 FIEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424746683 1088198579 /nfs/dbraw/zinc/19/85/79/1088198579.db2.gz LTKFEMBTAMPZKG-PBHICJAKSA-N 1 1 352.881 4.190 20 30 FIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1F ZINC000181224489 1088266464 /nfs/dbraw/zinc/26/64/64/1088266464.db2.gz FFCGLHIYZBNBSP-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1 ZINC000181225684 1088266865 /nfs/dbraw/zinc/26/68/65/1088266865.db2.gz PFUSHDWNPBEGLQ-LBPRGKRZSA-N 1 1 372.266 4.130 20 30 FIEDMO C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC[N@H+]1C ZINC000329706014 1088982996 /nfs/dbraw/zinc/98/29/96/1088982996.db2.gz JSUNFEZRTXZMEW-RDJZCZTQSA-N 1 1 352.482 4.205 20 30 FIEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434797052 1089035308 /nfs/dbraw/zinc/03/53/08/1089035308.db2.gz SRFIKXHUMIUJOC-UHFFFAOYSA-N 1 1 369.534 4.379 20 30 FIEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1Cl ZINC000183788351 1089055123 /nfs/dbraw/zinc/05/51/23/1089055123.db2.gz NGSPEJROCSZPPZ-AWEZNQCLSA-N 1 1 359.832 4.077 20 30 FIEDMO CC1=C(c2ccco2)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000549159974 1089071095 /nfs/dbraw/zinc/07/10/95/1089071095.db2.gz YUUKFEUDWHSPQS-GOSISDBHSA-N 1 1 363.461 4.094 20 30 FIEDMO CC1=C(c2ccco2)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000549159974 1089071113 /nfs/dbraw/zinc/07/11/13/1089071113.db2.gz YUUKFEUDWHSPQS-GOSISDBHSA-N 1 1 363.461 4.094 20 30 FIEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902731 1089123611 /nfs/dbraw/zinc/12/36/11/1089123611.db2.gz JGUBJFYEDHQNEE-KSSFIOAISA-N 1 1 353.853 4.028 20 30 FIEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514621494 1089275721 /nfs/dbraw/zinc/27/57/21/1089275721.db2.gz PTXOYPIGRIQDKY-ZIFCJYIRSA-N 1 1 365.880 4.059 20 30 FIEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514621494 1089275734 /nfs/dbraw/zinc/27/57/34/1089275734.db2.gz PTXOYPIGRIQDKY-ZIFCJYIRSA-N 1 1 365.880 4.059 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)c(F)c1 ZINC000590242347 1089285396 /nfs/dbraw/zinc/28/53/96/1089285396.db2.gz SWPFROCLCMOKJW-CYBMUJFWSA-N 1 1 351.244 4.298 20 30 FIEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435124942 1089307094 /nfs/dbraw/zinc/30/70/94/1089307094.db2.gz UIHOVFGKKOSFSJ-LJQANCHMSA-N 1 1 373.504 4.230 20 30 FIEDMO C=CCCCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472848101 1089739872 /nfs/dbraw/zinc/73/98/72/1089739872.db2.gz LCNCZZCSFGHHBH-JOCHJYFZSA-N 1 1 355.526 4.040 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435593665 1089783259 /nfs/dbraw/zinc/78/32/59/1089783259.db2.gz SHOQHCNIMSDHKJ-OAHLLOKOSA-N 1 1 352.404 4.181 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472879060 1089867146 /nfs/dbraw/zinc/86/71/46/1089867146.db2.gz VIHBMXDYBSGTTA-NQIIRXRSSA-N 1 1 361.489 4.033 20 30 FIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(Br)c1 ZINC000481082573 1090148715 /nfs/dbraw/zinc/14/87/15/1090148715.db2.gz WWIIXXMOMJKWRP-KRWDZBQOSA-N 1 1 363.299 4.244 20 30 FIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481122647 1090195941 /nfs/dbraw/zinc/19/59/41/1090195941.db2.gz VWIAFYZBLKFSPD-OAHLLOKOSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481122646 1090196668 /nfs/dbraw/zinc/19/66/68/1090196668.db2.gz VWIAFYZBLKFSPD-HNNXBMFYSA-N 1 1 371.278 4.319 20 30 FIEDMO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCO1 ZINC000511544108 1090339010 /nfs/dbraw/zinc/33/90/10/1090339010.db2.gz WVMRITPMAHNOBX-JOCHJYFZSA-N 1 1 350.462 4.138 20 30 FIEDMO CC(C)c1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053179220 1090349493 /nfs/dbraw/zinc/34/94/93/1090349493.db2.gz BNAQJWJTZIMRBS-UHFFFAOYSA-N 1 1 367.518 4.091 20 30 FIEDMO CC(C)c1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053179220 1090349501 /nfs/dbraw/zinc/34/95/01/1090349501.db2.gz BNAQJWJTZIMRBS-UHFFFAOYSA-N 1 1 367.518 4.091 20 30 FIEDMO N#Cc1csc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001125896413 1090632079 /nfs/dbraw/zinc/63/20/79/1090632079.db2.gz PHMJJKDHINXTNQ-QGZVFWFLSA-N 1 1 373.909 4.058 20 30 FIEDMO N#Cc1csc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001125896413 1090632081 /nfs/dbraw/zinc/63/20/81/1090632081.db2.gz PHMJJKDHINXTNQ-QGZVFWFLSA-N 1 1 373.909 4.058 20 30 FIEDMO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000417376021 1090858844 /nfs/dbraw/zinc/85/88/44/1090858844.db2.gz BNPSVFDRNMVHQO-AOMKIAJQSA-N 1 1 371.488 4.484 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431945849 1090883797 /nfs/dbraw/zinc/88/37/97/1090883797.db2.gz LBZUOAQVTHIUNK-IAGOWNOFSA-N 1 1 368.443 4.110 20 30 FIEDMO Cc1ccc(C#N)cc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001125914460 1090980301 /nfs/dbraw/zinc/98/03/01/1090980301.db2.gz IQGYQJSFQJCQGE-UHFFFAOYSA-N 1 1 358.445 4.487 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014930066 1091030698 /nfs/dbraw/zinc/03/06/98/1091030698.db2.gz OJRUKGFMWJCQLD-MLGOLLRUSA-N 1 1 359.882 4.437 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014930066 1091030703 /nfs/dbraw/zinc/03/07/03/1091030703.db2.gz OJRUKGFMWJCQLD-MLGOLLRUSA-N 1 1 359.882 4.437 20 30 FIEDMO C=CCOc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)cc1Cl ZINC000418091062 1091056230 /nfs/dbraw/zinc/05/62/30/1091056230.db2.gz MOJVHHULHXDTDT-UHFFFAOYSA-N 1 1 363.807 4.448 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000500240165 1091135930 /nfs/dbraw/zinc/13/59/30/1091135930.db2.gz VKTQXPAZSZAGKQ-DYESRHJHSA-N 1 1 372.896 4.280 20 30 FIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759846568 1091303401 /nfs/dbraw/zinc/30/34/01/1091303401.db2.gz ZPYNQJPRNXYFGD-GOSISDBHSA-N 1 1 364.804 4.109 20 30 FIEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511659192 1091332875 /nfs/dbraw/zinc/33/28/75/1091332875.db2.gz PRPMMFIFMDDEQG-OAHLLOKOSA-N 1 1 363.358 4.403 20 30 FIEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330246376 1091403135 /nfs/dbraw/zinc/40/31/35/1091403135.db2.gz LEKICOYTKSWLOX-ZFWWWQNUSA-N 1 1 359.495 4.021 20 30 FIEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330246376 1091403142 /nfs/dbraw/zinc/40/31/42/1091403142.db2.gz LEKICOYTKSWLOX-ZFWWWQNUSA-N 1 1 359.495 4.021 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000511665260 1091517182 /nfs/dbraw/zinc/51/71/82/1091517182.db2.gz IVRSAAAIARKKHS-QUCCMNQESA-N 1 1 374.406 4.218 20 30 FIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000511765282 1091650370 /nfs/dbraw/zinc/65/03/70/1091650370.db2.gz OSGSQFBTSOUBRO-SFHLNBCPSA-N 1 1 352.865 4.216 20 30 FIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC001167767294 1091675419 /nfs/dbraw/zinc/67/54/19/1091675419.db2.gz TYWSNULBLXCNHX-DLBZAZTESA-N 1 1 352.425 4.185 20 30 FIEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279323120 1091867072 /nfs/dbraw/zinc/86/70/72/1091867072.db2.gz BXJGUIMNTKSTQZ-OAHLLOKOSA-N 1 1 363.490 4.040 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000512291634 1092013304 /nfs/dbraw/zinc/01/33/04/1092013304.db2.gz BKTRINVZYWXRJY-AWEZNQCLSA-N 1 1 353.853 4.376 20 30 FIEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000512291634 1092013314 /nfs/dbraw/zinc/01/33/14/1092013314.db2.gz BKTRINVZYWXRJY-AWEZNQCLSA-N 1 1 353.853 4.376 20 30 FIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000512380244 1092193144 /nfs/dbraw/zinc/19/31/44/1092193144.db2.gz YJHFOUWKTBENLK-UHFFFAOYSA-N 1 1 366.396 4.312 20 30 FIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000512380244 1092193146 /nfs/dbraw/zinc/19/31/46/1092193146.db2.gz YJHFOUWKTBENLK-UHFFFAOYSA-N 1 1 366.396 4.312 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1Cl ZINC000500743255 1092475204 /nfs/dbraw/zinc/47/52/04/1092475204.db2.gz AQLZDZNICCZSEE-UHFFFAOYSA-N 1 1 355.869 4.455 20 30 FIEDMO C=C(C)C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC000512506805 1092598444 /nfs/dbraw/zinc/59/84/44/1092598444.db2.gz QHLOIQMADXYXEC-UHFFFAOYSA-N 1 1 358.461 4.010 20 30 FIEDMO C=CCc1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc(OC)c1O ZINC000512517445 1092617601 /nfs/dbraw/zinc/61/76/01/1092617601.db2.gz WHEBDGDJCIUPTG-UHFFFAOYSA-N 1 1 370.468 4.158 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000500843434 1092633003 /nfs/dbraw/zinc/63/30/03/1092633003.db2.gz OMHWEMBPCQLMNF-KGLIPLIRSA-N 1 1 364.461 4.280 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000473272198 1092699018 /nfs/dbraw/zinc/69/90/18/1092699018.db2.gz MVSXBTNLFJDOPG-AWEZNQCLSA-N 1 1 363.383 4.477 20 30 FIEDMO COc1c(F)cccc1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001143536432 1092707834 /nfs/dbraw/zinc/70/78/34/1092707834.db2.gz DOQMYRFBPXDOMQ-UHFFFAOYSA-N 1 1 374.843 4.403 20 30 FIEDMO FC[C@@H]1C[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C(F)(F)F ZINC001143538445 1092713778 /nfs/dbraw/zinc/71/37/78/1092713778.db2.gz LHDFNBDWTZEFSY-MWLCHTKSSA-N 1 1 363.248 4.304 20 30 FIEDMO FC[C@@H]1C[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@H]1C(F)(F)F ZINC001143538445 1092713788 /nfs/dbraw/zinc/71/37/88/1092713788.db2.gz LHDFNBDWTZEFSY-MWLCHTKSSA-N 1 1 363.248 4.304 20 30 FIEDMO COc1cc(C[N@H+](C)Cc2ccc(Br)s2)ccc1C#N ZINC000442821243 1092789353 /nfs/dbraw/zinc/78/93/53/1092789353.db2.gz MLSLDTBYCXCMCL-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO COc1cc(C[N@@H+](C)Cc2ccc(Br)s2)ccc1C#N ZINC000442821243 1092789358 /nfs/dbraw/zinc/78/93/58/1092789358.db2.gz MLSLDTBYCXCMCL-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000443069465 1092927088 /nfs/dbraw/zinc/92/70/88/1092927088.db2.gz OWXFFRUDZHVOIJ-UWJYYQICSA-N 1 1 350.462 4.137 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000521822534 1092939856 /nfs/dbraw/zinc/93/98/56/1092939856.db2.gz VCXOWLRGKXZTGK-HSZRJFAPSA-N 1 1 374.484 4.362 20 30 FIEDMO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512612113 1092990823 /nfs/dbraw/zinc/99/08/23/1092990823.db2.gz NPYBNLUWRZFHFF-MRXNPFEDSA-N 1 1 356.441 4.272 20 30 FIEDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512612327 1092991286 /nfs/dbraw/zinc/99/12/86/1092991286.db2.gz OLOPZXYTIPSOTA-CABCVRRESA-N 1 1 353.441 4.076 20 30 FIEDMO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(C#N)cc1F ZINC000512620384 1092997900 /nfs/dbraw/zinc/99/79/00/1092997900.db2.gz QFBIWWTXKDUNPK-LBPRGKRZSA-N 1 1 352.331 4.489 20 30 FIEDMO N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000410974598 1093003541 /nfs/dbraw/zinc/00/35/41/1093003541.db2.gz XVCJPTJERFSPJM-GOSISDBHSA-N 1 1 367.880 4.257 20 30 FIEDMO N#Cc1sc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1Cl ZINC000310350374 1093011351 /nfs/dbraw/zinc/01/13/51/1093011351.db2.gz GZSUUMSPVYSNRJ-HNNXBMFYSA-N 1 1 360.914 4.382 20 30 FIEDMO Cn1cc([C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)cn1 ZINC000614159643 1093012803 /nfs/dbraw/zinc/01/28/03/1093012803.db2.gz KGQAXYLBGVOLQL-FCHUYYIVSA-N 1 1 360.436 4.187 20 30 FIEDMO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512630798 1093037410 /nfs/dbraw/zinc/03/74/10/1093037410.db2.gz OCAHRNNGSNUEKA-AWEZNQCLSA-N 1 1 352.388 4.181 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(C#N)cc1F ZINC000512637263 1093054840 /nfs/dbraw/zinc/05/48/40/1093054840.db2.gz UBUCNANBFULZQX-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO Cc1cc(-c2nnc(C[NH2+][C@H](CCCC#N)c3ccccc3)o2)c(C)o1 ZINC000433011920 1093088474 /nfs/dbraw/zinc/08/84/74/1093088474.db2.gz HSTRWXPCOQKJJY-GOSISDBHSA-N 1 1 350.422 4.471 20 30 FIEDMO C=C(CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000512677651 1093124509 /nfs/dbraw/zinc/12/45/09/1093124509.db2.gz LSVYSTNRUBTYOM-HXUWFJFHSA-N 1 1 369.553 4.386 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000522157333 1093131098 /nfs/dbraw/zinc/13/10/98/1093131098.db2.gz IESVQXQXCUZBPE-ZIAGYGMSSA-N 1 1 364.461 4.280 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000522157332 1093131533 /nfs/dbraw/zinc/13/15/33/1093131533.db2.gz IESVQXQXCUZBPE-UONOGXRCSA-N 1 1 364.461 4.280 20 30 FIEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000522164225 1093137590 /nfs/dbraw/zinc/13/75/90/1093137590.db2.gz SQAWCNMBZKZCPL-KRWDZBQOSA-N 1 1 355.507 4.073 20 30 FIEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000522164225 1093137597 /nfs/dbraw/zinc/13/75/97/1093137597.db2.gz SQAWCNMBZKZCPL-KRWDZBQOSA-N 1 1 355.507 4.073 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433059568 1093178452 /nfs/dbraw/zinc/17/84/52/1093178452.db2.gz ULJXFVXNYDNXLG-CTNGQTDRSA-N 1 1 361.489 4.201 20 30 FIEDMO CC[N@@H+](Cc1ccc(Br)c(Br)c1)C[C@@H](C)C#N ZINC000509774702 1093185324 /nfs/dbraw/zinc/18/53/24/1093185324.db2.gz SQGQRLSIZPNOHY-JTQLQIEISA-N 1 1 360.093 4.193 20 30 FIEDMO CC[N@H+](Cc1ccc(Br)c(Br)c1)C[C@@H](C)C#N ZINC000509774702 1093185328 /nfs/dbraw/zinc/18/53/28/1093185328.db2.gz SQGQRLSIZPNOHY-JTQLQIEISA-N 1 1 360.093 4.193 20 30 FIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000614222255 1093248621 /nfs/dbraw/zinc/24/86/21/1093248621.db2.gz CLELTYVZEGKPQW-KRWDZBQOSA-N 1 1 358.283 4.169 20 30 FIEDMO CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@H](C)c1ccc(C#N)cc1 ZINC000474149181 1093460261 /nfs/dbraw/zinc/46/02/61/1093460261.db2.gz ZWWJYTVDEGLQOM-OAHLLOKOSA-N 1 1 365.868 4.375 20 30 FIEDMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000512908886 1093543777 /nfs/dbraw/zinc/54/37/77/1093543777.db2.gz NHJVNZIIJVLNJN-JOCHJYFZSA-N 1 1 372.472 4.112 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001141815020 1093583966 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367.518 4.130 20 30 FIEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000537400643 1101748213 /nfs/dbraw/zinc/74/82/13/1101748213.db2.gz FODDLHZAKGDPRL-AOMKIAJQSA-N 1 1 369.484 4.440 20 30 FIEDMO C=CC1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000518980302 1101794609 /nfs/dbraw/zinc/79/46/09/1101794609.db2.gz RCTUAJDZPWNDGM-GOSISDBHSA-N 1 1 355.526 4.169 20 30 FIEDMO C=CCN1CC[C@@]2(C[N@@H+](C3CCC(C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001168212319 1102486472 /nfs/dbraw/zinc/48/64/72/1102486472.db2.gz NIYLRUYYIYBILE-BPPGQLARSA-N 1 1 352.522 4.069 20 30 FIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000532571099 1102493348 /nfs/dbraw/zinc/49/33/48/1102493348.db2.gz KNEKBXCQGSVXJD-ZIAGYGMSSA-N 1 1 359.539 4.336 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000532581865 1102503665 /nfs/dbraw/zinc/50/36/65/1102503665.db2.gz NMVMOVXGVQSONF-CZUORRHYSA-N 1 1 371.868 4.238 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000532581865 1102503670 /nfs/dbraw/zinc/50/36/70/1102503670.db2.gz NMVMOVXGVQSONF-CZUORRHYSA-N 1 1 371.868 4.238 20 30 FIEDMO O=C(CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000122075947 1102514881 /nfs/dbraw/zinc/51/48/81/1102514881.db2.gz RPSDELDMVUALFX-UHFFFAOYSA-N 1 1 357.269 4.215 20 30 FIEDMO O=C(CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000122075947 1102514885 /nfs/dbraw/zinc/51/48/85/1102514885.db2.gz RPSDELDMVUALFX-UHFFFAOYSA-N 1 1 357.269 4.215 20 30 FIEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000093200807 1102558048 /nfs/dbraw/zinc/55/80/48/1102558048.db2.gz SRSRTONFFVEYAZ-SFHVURJKSA-N 1 1 351.498 4.040 20 30 FIEDMO N#CCc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000122498558 1102586665 /nfs/dbraw/zinc/58/66/65/1102586665.db2.gz KJSCQOHGJRQRQG-QHCPKHFHSA-N 1 1 373.431 4.209 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000237491403 1102600325 /nfs/dbraw/zinc/60/03/25/1102600325.db2.gz XYGVBWZSAGXGFI-GHTZIAJQSA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)cc1 ZINC000237491403 1102600330 /nfs/dbraw/zinc/60/03/30/1102600330.db2.gz XYGVBWZSAGXGFI-GHTZIAJQSA-N 1 1 355.526 4.112 20 30 FIEDMO CN(C(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1)C1(C#N)CCCCC1 ZINC000303867482 1102601377 /nfs/dbraw/zinc/60/13/77/1102601377.db2.gz HNGLMKORQRVKMV-UHFFFAOYSA-N 1 1 357.498 4.099 20 30 FIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000729849810 1102714641 /nfs/dbraw/zinc/71/46/41/1102714641.db2.gz BRLAIPGEKRGFOO-JOCHJYFZSA-N 1 1 367.489 4.483 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000237492186 1102715950 /nfs/dbraw/zinc/71/59/50/1102715950.db2.gz UIUIFXSBRZRAKQ-IBGZPJMESA-N 1 1 363.505 4.253 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000127818280 1102739626 /nfs/dbraw/zinc/73/96/26/1102739626.db2.gz CKVBEXSOBMZXRT-AEFFLSMTSA-N 1 1 361.445 4.498 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cnccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537656031 1102767971 /nfs/dbraw/zinc/76/79/71/1102767971.db2.gz AWPWIDWVXSFFAS-VQIMIIECSA-N 1 1 374.410 4.467 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426815508 1103009399 /nfs/dbraw/zinc/00/93/99/1103009399.db2.gz FWDXWDJFXOLABO-ZACQAIPSSA-N 1 1 357.523 4.141 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC001211975767 1103134733 /nfs/dbraw/zinc/13/47/33/1103134733.db2.gz PLAQUWGPDMPEHX-PBHICJAKSA-N 1 1 365.424 4.093 20 30 FIEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1 ZINC000429731493 1103137460 /nfs/dbraw/zinc/13/74/60/1103137460.db2.gz RGVWKFBJQKEARS-SFHVURJKSA-N 1 1 373.294 4.170 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(OCC)c2)no1 ZINC001211976017 1103137706 /nfs/dbraw/zinc/13/77/06/1103137706.db2.gz XGWNVJZJSJOHGH-MJGOQNOKSA-N 1 1 373.497 4.213 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)ccc2C)no1 ZINC001211975924 1103138495 /nfs/dbraw/zinc/13/84/95/1103138495.db2.gz UNAFQIVJDRFVJX-WMZOPIPTSA-N 1 1 361.461 4.262 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC001211976064 1103147569 /nfs/dbraw/zinc/14/75/69/1103147569.db2.gz YFMNKGDALACYJE-SJORKVTESA-N 1 1 365.424 4.093 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000427000542 1103172259 /nfs/dbraw/zinc/17/22/59/1103172259.db2.gz OXKYDFFVHDPYQP-GUYCJALGSA-N 1 1 353.491 4.053 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000427000542 1103172270 /nfs/dbraw/zinc/17/22/70/1103172270.db2.gz OXKYDFFVHDPYQP-GUYCJALGSA-N 1 1 353.491 4.053 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(-c2ccccc2Cl)n1 ZINC000507200367 1103197662 /nfs/dbraw/zinc/19/76/62/1103197662.db2.gz CMCDLVFBNSRMBV-UHFFFAOYSA-N 1 1 350.853 4.244 20 30 FIEDMO C=CCc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1O ZINC000507189504 1103208289 /nfs/dbraw/zinc/20/82/89/1103208289.db2.gz VUYYLNHQIMBPLU-UHFFFAOYSA-N 1 1 368.433 4.202 20 30 FIEDMO C=CCc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1O ZINC000507189504 1103208298 /nfs/dbraw/zinc/20/82/98/1103208298.db2.gz VUYYLNHQIMBPLU-UHFFFAOYSA-N 1 1 368.433 4.202 20 30 FIEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507192292 1103209989 /nfs/dbraw/zinc/20/99/89/1103209989.db2.gz LHZCUMDUTUHCQI-UHFFFAOYSA-N 1 1 358.489 4.360 20 30 FIEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000507192292 1103210004 /nfs/dbraw/zinc/21/00/04/1103210004.db2.gz LHZCUMDUTUHCQI-UHFFFAOYSA-N 1 1 358.489 4.360 20 30 FIEDMO C=CCC(C)(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000551470932 1103254370 /nfs/dbraw/zinc/25/43/70/1103254370.db2.gz WNFVZYGUPBQNLW-XMSQKQJNSA-N 1 1 351.494 4.477 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000507704262 1103640303 /nfs/dbraw/zinc/64/03/03/1103640303.db2.gz RSSAMNNNJJRAFJ-GCJKJVERSA-N 1 1 364.489 4.110 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000551813454 1103695470 /nfs/dbraw/zinc/69/54/70/1103695470.db2.gz QWOUHFZSRJHSQQ-QHCPKHFHSA-N 1 1 356.473 4.360 20 30 FIEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001270802782 1103715197 /nfs/dbraw/zinc/71/51/97/1103715197.db2.gz DQHJNQNCVSILTR-RLLQIKCJSA-N 1 1 353.510 4.063 20 30 FIEDMO Cc1cccc2c1CC[N@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000729479405 1103734827 /nfs/dbraw/zinc/73/48/27/1103734827.db2.gz KWZICEURQYZKFD-UHFFFAOYSA-N 1 1 357.457 4.104 20 30 FIEDMO Cc1cccc2c1CC[N@@H+](CC(=O)c1cn(CCC#N)c3ccccc13)C2 ZINC000729479405 1103734836 /nfs/dbraw/zinc/73/48/36/1103734836.db2.gz KWZICEURQYZKFD-UHFFFAOYSA-N 1 1 357.457 4.104 20 30 FIEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000477686500 1103782276 /nfs/dbraw/zinc/78/22/76/1103782276.db2.gz BOXZYCMQWBEDFT-NHCUHLMSSA-N 1 1 352.522 4.246 20 30 FIEDMO C[C@H](c1cccs1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000519904309 1103948144 /nfs/dbraw/zinc/94/81/44/1103948144.db2.gz DIMLXZVGBABRCD-IIBYNOLFSA-N 1 1 367.518 4.120 20 30 FIEDMO C[C@H](c1cccs1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000519904309 1103948149 /nfs/dbraw/zinc/94/81/49/1103948149.db2.gz DIMLXZVGBABRCD-IIBYNOLFSA-N 1 1 367.518 4.120 20 30 FIEDMO CC(C)C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000520173390 1104141811 /nfs/dbraw/zinc/14/18/11/1104141811.db2.gz IEMKMBHZHZLPDW-UHFFFAOYSA-N 1 1 364.424 4.406 20 30 FIEDMO CC(C)C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000520173390 1104141814 /nfs/dbraw/zinc/14/18/14/1104141814.db2.gz IEMKMBHZHZLPDW-UHFFFAOYSA-N 1 1 364.424 4.406 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000441322136 1104277086 /nfs/dbraw/zinc/27/70/86/1104277086.db2.gz FOZDSEAKDOLXDH-HNAYVOBHSA-N 1 1 354.425 4.168 20 30 FIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC001167989661 1104294241 /nfs/dbraw/zinc/29/42/41/1104294241.db2.gz CPEXEVFQJFWKQB-UHFFFAOYSA-N 1 1 355.869 4.105 20 30 FIEDMO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC1 ZINC000328614309 1104521113 /nfs/dbraw/zinc/52/11/13/1104521113.db2.gz QYUMDDFDLNMZMR-MOKVOYLWSA-N 1 1 372.435 4.143 20 30 FIEDMO CC1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC1 ZINC000328614309 1104521122 /nfs/dbraw/zinc/52/11/22/1104521122.db2.gz QYUMDDFDLNMZMR-MOKVOYLWSA-N 1 1 372.435 4.143 20 30 FIEDMO Cc1cccc(C)c1NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328636302 1104522891 /nfs/dbraw/zinc/52/28/91/1104522891.db2.gz AEXIYVLETLHUPI-SFHVURJKSA-N 1 1 366.509 4.304 20 30 FIEDMO Cc1cccc(C)c1NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328636301 1104523198 /nfs/dbraw/zinc/52/31/98/1104523198.db2.gz AEXIYVLETLHUPI-GOSISDBHSA-N 1 1 366.509 4.304 20 30 FIEDMO C[C@H](NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccs1 ZINC000328649902 1104524574 /nfs/dbraw/zinc/52/45/74/1104524574.db2.gz IWQIQKASQBPEHN-JKSUJKDBSA-N 1 1 372.538 4.178 20 30 FIEDMO O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000328669993 1104529980 /nfs/dbraw/zinc/52/99/80/1104529980.db2.gz GDXSBJWROUIKEZ-OALUTQOASA-N 1 1 373.541 4.391 20 30 FIEDMO CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C1CCCCCC1 ZINC000328767278 1104554129 /nfs/dbraw/zinc/55/41/29/1104554129.db2.gz HPBFAHUYATUHQB-IBGZPJMESA-N 1 1 374.529 4.039 20 30 FIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(cccc3NC([O-])=[NH+]c3ccccc3)C2)C1 ZINC000328807131 1104559121 /nfs/dbraw/zinc/55/91/21/1104559121.db2.gz DLNRUPQLGCQMSV-VQIMIIECSA-N 1 1 360.461 4.395 20 30 FIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(cccc3[NH+]=C([O-])Nc3ccccc3)C2)C1 ZINC000328807131 1104559129 /nfs/dbraw/zinc/55/91/29/1104559129.db2.gz DLNRUPQLGCQMSV-VQIMIIECSA-N 1 1 360.461 4.395 20 30 FIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(cccc3[NH+]=C([O-])Nc3ccccc3)C2)C1 ZINC000328807131 1104559133 /nfs/dbraw/zinc/55/91/33/1104559133.db2.gz DLNRUPQLGCQMSV-VQIMIIECSA-N 1 1 360.461 4.395 20 30 FIEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C2CCCCC2)n1 ZINC000328816509 1104562640 /nfs/dbraw/zinc/56/26/40/1104562640.db2.gz GXUSCZPVEHBJKS-PZJWPPBQSA-N 1 1 366.509 4.218 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000328779833 1104566371 /nfs/dbraw/zinc/56/63/71/1104566371.db2.gz MHXIZPPXDLTYJO-HFTRVMKXSA-N 1 1 371.506 4.135 20 30 FIEDMO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328868563 1104584634 /nfs/dbraw/zinc/58/46/34/1104584634.db2.gz XLTWPVFLURQNQX-ZFWWWQNUSA-N 1 1 359.495 4.021 20 30 FIEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330975984 1104692439 /nfs/dbraw/zinc/69/24/39/1104692439.db2.gz UBBMJWXIQJLQJH-TUAOUCFPSA-N 1 1 358.313 4.247 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000331280750 1104710629 /nfs/dbraw/zinc/71/06/29/1104710629.db2.gz IGASFNHFHPBNPB-ZACQAIPSSA-N 1 1 374.554 4.431 20 30 FIEDMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000189124122 1104781197 /nfs/dbraw/zinc/78/11/97/1104781197.db2.gz CFNNEACADYBBGG-FYYLOGMGSA-N 1 1 362.517 4.027 20 30 FIEDMO CCCOc1c(Br)cc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000054183451 1105018172 /nfs/dbraw/zinc/01/81/72/1105018172.db2.gz JZCPHCSZVFNSQX-ZDUSSCGKSA-N 1 1 355.276 4.028 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000487405481 1105284673 /nfs/dbraw/zinc/28/46/73/1105284673.db2.gz JFGNMSFETPXWLJ-UHFFFAOYSA-N 1 1 367.537 4.102 20 30 FIEDMO C=CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@@H](C)COC ZINC000665629446 1106896615 /nfs/dbraw/zinc/89/66/15/1106896615.db2.gz KINXLRZLFYUPJO-KRWDZBQOSA-N 1 1 370.497 4.110 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)c1C ZINC001168126603 1106909456 /nfs/dbraw/zinc/90/94/56/1106909456.db2.gz RIHKBCBNFJMGSA-HXUWFJFHSA-N 1 1 355.526 4.451 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c(C#N)c1C ZINC000451141648 1106937295 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359.267 4.351 20 30 FIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1Br ZINC000480685407 1112545199 /nfs/dbraw/zinc/54/51/99/1112545199.db2.gz RANCBZRMBUAYAM-UHFFFAOYSA-N 1 1 359.267 4.351 20 30 FIEDMO C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765746 1112585412 /nfs/dbraw/zinc/58/54/12/1112585412.db2.gz PSIOWTBDXRYPNM-KSFYIVLOSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765746 1112585415 /nfs/dbraw/zinc/58/54/15/1112585415.db2.gz PSIOWTBDXRYPNM-KSFYIVLOSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765743 1112585524 /nfs/dbraw/zinc/58/55/24/1112585524.db2.gz PSIOWTBDXRYPNM-AOMKIAJQSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765743 1112585525 /nfs/dbraw/zinc/58/55/25/1112585525.db2.gz PSIOWTBDXRYPNM-AOMKIAJQSA-N 1 1 351.469 4.259 20 30 FIEDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br 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Cc1ccc(-c2cnc(C[N@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1 ZINC000588980810 1114684625 /nfs/dbraw/zinc/68/46/25/1114684625.db2.gz MYZYQIWHQDNZMS-UHFFFAOYSA-N 1 1 361.445 4.170 20 30 FIEDMO Cc1ccc(-c2cnc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)o2)cc1 ZINC000588980810 1114684629 /nfs/dbraw/zinc/68/46/29/1114684629.db2.gz MYZYQIWHQDNZMS-UHFFFAOYSA-N 1 1 361.445 4.170 20 30 FIEDMO Cc1nc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)cc1C#N ZINC000589688638 1114827765 /nfs/dbraw/zinc/82/77/65/1114827765.db2.gz XKDYOMXVAVUOKK-KRWDZBQOSA-N 1 1 351.841 4.045 20 30 FIEDMO N#CC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000057383393 1114922963 /nfs/dbraw/zinc/92/29/63/1114922963.db2.gz WLPDOMGUZRPBCP-GOSISDBHSA-N 1 1 359.901 4.067 20 30 FIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000590954072 1114996136 /nfs/dbraw/zinc/99/61/36/1114996136.db2.gz GTKQJUIBKOHLQC-QGZVFWFLSA-N 1 1 360.417 4.327 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)cc1 ZINC000157260398 1115046958 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1115413361 /nfs/dbraw/zinc/41/33/61/1115413361.db2.gz DPZIIEBVZOFMSE-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528397 1115413384 /nfs/dbraw/zinc/41/33/84/1115413384.db2.gz DPZIIEBVZOFMSE-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000046530104 1115413522 /nfs/dbraw/zinc/41/35/22/1115413522.db2.gz PZPNYGXONBPKGW-HZPDHXFCSA-N 1 1 361.445 4.002 20 30 FIEDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000046530104 1115413527 /nfs/dbraw/zinc/41/35/27/1115413527.db2.gz PZPNYGXONBPKGW-HZPDHXFCSA-N 1 1 361.445 4.002 20 30 FIEDMO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nnc2n1CCCCC2 ZINC000594503235 1115451775 /nfs/dbraw/zinc/45/17/75/1115451775.db2.gz SMKQUIHBOYGQSK-GOSISDBHSA-N 1 1 351.498 4.047 20 30 FIEDMO COc1cccc([C@H]([NH2+]CC2(CC#N)CC2)c2cc(F)ccc2OC)c1 ZINC000594703876 1115477164 /nfs/dbraw/zinc/47/71/64/1115477164.db2.gz YZFGAGNTNQWXMR-FQEVSTJZSA-N 1 1 354.425 4.216 20 30 FIEDMO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CC1 ZINC000594916914 1115489199 /nfs/dbraw/zinc/48/91/99/1115489199.db2.gz CTSCAOLRIMPAEJ-QFIPXVFZSA-N 1 1 359.517 4.244 20 30 FIEDMO N#Cc1csc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999644 1115506921 /nfs/dbraw/zinc/50/69/21/1115506921.db2.gz FCXUTPWYIFRUOG-IBGZPJMESA-N 1 1 351.519 4.012 20 30 FIEDMO N#Cc1csc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999644 1115506924 /nfs/dbraw/zinc/50/69/24/1115506924.db2.gz FCXUTPWYIFRUOG-IBGZPJMESA-N 1 1 351.519 4.012 20 30 FIEDMO Cn1cc[nH+]c1C[C@H](Nc1cc(C#N)c2ccccc2n1)c1ccccc1 ZINC000078559060 1115518600 /nfs/dbraw/zinc/51/86/00/1115518600.db2.gz WAUXXDDWNRLRLS-FQEVSTJZSA-N 1 1 353.429 4.236 20 30 FIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1ccc(Br)cn1)C(C)C ZINC000574973490 1115526641 /nfs/dbraw/zinc/52/66/41/1115526641.db2.gz VXQBXESFFQMFHS-QAPCUYQASA-N 1 1 366.347 4.193 20 30 FIEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000592997820 1115533798 /nfs/dbraw/zinc/53/37/98/1115533798.db2.gz UQQRBGULZYPSGE-IBGZPJMESA-N 1 1 351.406 4.202 20 30 FIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000592997820 1115533802 /nfs/dbraw/zinc/53/38/02/1115533802.db2.gz UQQRBGULZYPSGE-IBGZPJMESA-N 1 1 351.406 4.202 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593012172 1115536199 /nfs/dbraw/zinc/53/61/99/1115536199.db2.gz XXXYYZDVFTVJBL-SFHVURJKSA-N 1 1 351.406 4.202 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593012172 1115536202 /nfs/dbraw/zinc/53/62/02/1115536202.db2.gz XXXYYZDVFTVJBL-SFHVURJKSA-N 1 1 351.406 4.202 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000595468405 1115537748 /nfs/dbraw/zinc/53/77/48/1115537748.db2.gz YYSGFMYBPNUBSS-QXAKKESOSA-N 1 1 366.427 4.483 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593085575 1115552072 /nfs/dbraw/zinc/55/20/72/1115552072.db2.gz ZUWOXHGEYZJBCR-QGZVFWFLSA-N 1 1 371.481 4.185 20 30 FIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612423 1115553725 /nfs/dbraw/zinc/55/37/25/1115553725.db2.gz WOMSCQIIJCFCJD-CHWSQXEVSA-N 1 1 364.371 4.442 20 30 FIEDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612423 1115553726 /nfs/dbraw/zinc/55/37/26/1115553726.db2.gz WOMSCQIIJCFCJD-CHWSQXEVSA-N 1 1 364.371 4.442 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1Cl ZINC000595612596 1115553749 /nfs/dbraw/zinc/55/37/49/1115553749.db2.gz YHLCQKHZQXGVPV-IHRRRGAJSA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1Cl ZINC000595612596 1115553752 /nfs/dbraw/zinc/55/37/52/1115553752.db2.gz YHLCQKHZQXGVPV-IHRRRGAJSA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C2CCC2)CC1 ZINC000595658639 1115555548 /nfs/dbraw/zinc/55/55/48/1115555548.db2.gz GJLYEQYKGBQPQL-INIZCTEOSA-N 1 1 371.550 4.389 20 30 FIEDMO N#Cc1cccc(C2([NH2+]Cc3ncc(Cl)cc3Cl)CCOCC2)c1 ZINC000595764641 1115559017 /nfs/dbraw/zinc/55/90/17/1115559017.db2.gz KBCJDJAICUESPO-UHFFFAOYSA-N 1 1 362.260 4.056 20 30 FIEDMO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595800992 1115561886 /nfs/dbraw/zinc/56/18/86/1115561886.db2.gz PJDMUDICLSEFIR-SFHVURJKSA-N 1 1 351.498 4.047 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(Br)c1 ZINC000595789320 1115563536 /nfs/dbraw/zinc/56/35/36/1115563536.db2.gz QUMIQXFSWYZSLM-WMZOPIPTSA-N 1 1 363.299 4.102 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595846003 1115564012 /nfs/dbraw/zinc/56/40/12/1115564012.db2.gz YXBUCEWMTOUWAI-ZACQAIPSSA-N 1 1 355.507 4.202 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595846003 1115564015 /nfs/dbraw/zinc/56/40/15/1115564015.db2.gz YXBUCEWMTOUWAI-ZACQAIPSSA-N 1 1 355.507 4.202 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2nc3ncccc3cc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000596178104 1115578780 /nfs/dbraw/zinc/57/87/80/1115578780.db2.gz IBZSZBNYLKNJMG-ROUUACIJSA-N 1 1 363.852 4.012 20 30 FIEDMO C[C@H](c1cccc(NCc2ccc(C#N)cc2Cl)c1)[NH+]1CCOCC1 ZINC000593177320 1115592595 /nfs/dbraw/zinc/59/25/95/1115592595.db2.gz YCQIRZPNQDRABQ-OAHLLOKOSA-N 1 1 355.869 4.217 20 30 FIEDMO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000060208218 1115598477 /nfs/dbraw/zinc/59/84/77/1115598477.db2.gz JFPAFUWFZVVBGO-UHFFFAOYSA-N 1 1 355.869 4.369 20 30 FIEDMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000060208218 1115598481 /nfs/dbraw/zinc/59/84/81/1115598481.db2.gz JFPAFUWFZVVBGO-UHFFFAOYSA-N 1 1 355.869 4.369 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596733287 1115610592 /nfs/dbraw/zinc/61/05/92/1115610592.db2.gz POGKGNNQIIFRMH-CVEARBPZSA-N 1 1 374.554 4.323 20 30 FIEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000761204079 1115624280 /nfs/dbraw/zinc/62/42/80/1115624280.db2.gz OGECYPWGZNXRPZ-ZWKOTPCHSA-N 1 1 356.853 4.326 20 30 FIEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000761204079 1115624281 /nfs/dbraw/zinc/62/42/81/1115624281.db2.gz OGECYPWGZNXRPZ-ZWKOTPCHSA-N 1 1 356.853 4.326 20 30 FIEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000596980341 1115631444 /nfs/dbraw/zinc/63/14/44/1115631444.db2.gz NGWZWFAWUZUVSL-UHFFFAOYSA-N 1 1 350.462 4.199 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000597131087 1115642921 /nfs/dbraw/zinc/64/29/21/1115642921.db2.gz VNOTVZRMLSYHHU-ZLNRFVROSA-N 1 1 358.485 4.246 20 30 FIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCc2ccccc21 ZINC000597240338 1115650594 /nfs/dbraw/zinc/65/05/94/1115650594.db2.gz OSZPMZXQJHUUIK-HXUWFJFHSA-N 1 1 371.488 4.021 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2)C[C@H](C)O1 ZINC000597272943 1115655180 /nfs/dbraw/zinc/65/51/80/1115655180.db2.gz JXQORLRJRSASFA-HDICACEKSA-N 1 1 369.509 4.098 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2)C[C@H](C)O1 ZINC000597272943 1115655181 /nfs/dbraw/zinc/65/51/81/1115655181.db2.gz JXQORLRJRSASFA-HDICACEKSA-N 1 1 369.509 4.098 20 30 FIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2C1 ZINC000597412654 1115663649 /nfs/dbraw/zinc/66/36/49/1115663649.db2.gz GMJZZKAVESQBMC-UHFFFAOYSA-N 1 1 355.388 4.060 20 30 FIEDMO C[C@H]1C[C@@H](CCNC(=O)CC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000597434475 1115665533 /nfs/dbraw/zinc/66/55/33/1115665533.db2.gz ZFWXHHWHRQBMDV-PZJWPPBQSA-N 1 1 367.537 4.267 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C#N)CCCCC1 ZINC000597624882 1115676572 /nfs/dbraw/zinc/67/65/72/1115676572.db2.gz DWUHBRXCLXBNCK-FQEVSTJZSA-N 1 1 367.537 4.267 20 30 FIEDMO N#CC1(CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000597670360 1115679878 /nfs/dbraw/zinc/67/98/78/1115679878.db2.gz RIHJSEQMFDTBBU-OAQYLSRUSA-N 1 1 367.537 4.269 20 30 FIEDMO N#CC1(CC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000597670359 1115680037 /nfs/dbraw/zinc/68/00/37/1115680037.db2.gz RIHJSEQMFDTBBU-NRFANRHFSA-N 1 1 367.537 4.269 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000598617070 1115740528 /nfs/dbraw/zinc/74/05/28/1115740528.db2.gz PKAIGAOKSICVJJ-WBVHZDCISA-N 1 1 354.416 4.186 20 30 FIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000598703164 1115745989 /nfs/dbraw/zinc/74/59/89/1115745989.db2.gz QCMZKHUGCAVNDL-ZEVUXNIQSA-N 1 1 359.539 4.204 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000061001813 1115747619 /nfs/dbraw/zinc/74/76/19/1115747619.db2.gz SIUHRKDWUFXZOB-JOCHJYFZSA-N 1 1 374.484 4.363 20 30 FIEDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C(C)C ZINC000761300589 1115768745 /nfs/dbraw/zinc/76/87/45/1115768745.db2.gz MJGXWOZRLKQIFJ-JOCHJYFZSA-N 1 1 350.462 4.269 20 30 FIEDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C(C)C ZINC000761300589 1115768748 /nfs/dbraw/zinc/76/87/48/1115768748.db2.gz MJGXWOZRLKQIFJ-JOCHJYFZSA-N 1 1 350.462 4.269 20 30 FIEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000599271533 1115805316 /nfs/dbraw/zinc/80/53/16/1115805316.db2.gz ZGPKXCZWAUTRSX-MJGOQNOKSA-N 1 1 370.493 4.277 20 30 FIEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000599525859 1115822461 /nfs/dbraw/zinc/82/24/61/1115822461.db2.gz AMOCGLCNGUXNDA-KRWDZBQOSA-N 1 1 374.307 4.082 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000599653323 1115835828 /nfs/dbraw/zinc/83/58/28/1115835828.db2.gz UPPHNCHLFREEKW-CJNGLKHVSA-N 1 1 356.267 4.094 20 30 FIEDMO N#Cc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1Cl ZINC000604082656 1115847176 /nfs/dbraw/zinc/84/71/76/1115847176.db2.gz LEEPSENTRXGNJG-UHFFFAOYSA-N 1 1 374.916 4.332 20 30 FIEDMO COCC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000604493157 1115867828 /nfs/dbraw/zinc/86/78/28/1115867828.db2.gz HBAQUNSHKTWYSZ-UHFFFAOYSA-N 1 1 365.408 4.001 20 30 FIEDMO COCC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000604493157 1115867829 /nfs/dbraw/zinc/86/78/29/1115867829.db2.gz HBAQUNSHKTWYSZ-UHFFFAOYSA-N 1 1 365.408 4.001 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000172485580 1115953376 /nfs/dbraw/zinc/95/33/76/1115953376.db2.gz ASCWJYDKGHDWLX-CUFUVEISSA-N 1 1 373.500 4.083 20 30 FIEDMO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(Br)c1 ZINC000594034593 1115970188 /nfs/dbraw/zinc/97/01/88/1115970188.db2.gz DZWMIJZMIUNOSM-UHFFFAOYSA-N 1 1 371.278 4.498 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172765872 1115987577 /nfs/dbraw/zinc/98/75/77/1115987577.db2.gz GZQXUUAKZFRNHK-LJQANCHMSA-N 1 1 357.498 4.026 20 30 FIEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC001168423223 1116043697 /nfs/dbraw/zinc/04/36/97/1116043697.db2.gz FJZFSBUBFGHWDF-UHFFFAOYSA-N 1 1 354.837 4.163 20 30 FIEDMO N#CC1(NC(=O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)CCCCC1 ZINC000063762818 1116104555 /nfs/dbraw/zinc/10/45/55/1116104555.db2.gz NWNLKKUCVSTGMH-UHFFFAOYSA-N 1 1 373.500 4.272 20 30 FIEDMO N#CC1(NC(=O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)CCCCC1 ZINC000063762818 1116104557 /nfs/dbraw/zinc/10/45/57/1116104557.db2.gz NWNLKKUCVSTGMH-UHFFFAOYSA-N 1 1 373.500 4.272 20 30 FIEDMO C=CCc1cc(CNCC(C)(C)[N@H+]2CCC[C@H](CC)C2)cc(OC)c1O ZINC000500891932 1116190071 /nfs/dbraw/zinc/19/00/71/1116190071.db2.gz GHXSFCZXDWCREF-KRWDZBQOSA-N 1 1 360.542 4.120 20 30 FIEDMO C=CCc1cc(C[NH2+]CC(C)(C)N2CCC[C@H](CC)C2)cc(OC)c1O ZINC000500891932 1116190072 /nfs/dbraw/zinc/19/00/72/1116190072.db2.gz GHXSFCZXDWCREF-KRWDZBQOSA-N 1 1 360.542 4.120 20 30 FIEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccncc2OC)cc1OC ZINC000623502904 1116264442 /nfs/dbraw/zinc/26/44/42/1116264442.db2.gz CZFLWCNJVMRHMQ-CYBMUJFWSA-N 1 1 362.857 4.168 20 30 FIEDMO Cn1cc(C[N@@H+](C)CCCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491238860 1116303016 /nfs/dbraw/zinc/30/30/16/1116303016.db2.gz IVZPJZBJVPHKNU-UHFFFAOYSA-N 1 1 358.489 4.413 20 30 FIEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000491265935 1116345528 /nfs/dbraw/zinc/34/55/28/1116345528.db2.gz GATXSFLQUYXOKH-UHFFFAOYSA-N 1 1 359.539 4.480 20 30 FIEDMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)c(F)c1 ZINC000539610339 1116352161 /nfs/dbraw/zinc/35/21/61/1116352161.db2.gz WNUXBMHKYGCLEA-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000539827191 1116387350 /nfs/dbraw/zinc/38/73/50/1116387350.db2.gz GZTXMBWUYSJVHX-PMACEKPBSA-N 1 1 350.462 4.284 20 30 FIEDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000539827191 1116387351 /nfs/dbraw/zinc/38/73/51/1116387351.db2.gz GZTXMBWUYSJVHX-PMACEKPBSA-N 1 1 350.462 4.284 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1OC ZINC000462824093 1117797330 /nfs/dbraw/zinc/79/73/30/1117797330.db2.gz AKGMHBXFDAFWRV-UHFFFAOYSA-N 1 1 351.446 4.013 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1OC ZINC000462824093 1117797333 /nfs/dbraw/zinc/79/73/33/1117797333.db2.gz AKGMHBXFDAFWRV-UHFFFAOYSA-N 1 1 351.446 4.013 20 30 FIEDMO Cc1cccc(C2=CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000540045016 1117839276 /nfs/dbraw/zinc/83/92/76/1117839276.db2.gz YVPZQKWGVZMFTF-UHFFFAOYSA-N 1 1 356.429 4.206 20 30 FIEDMO Cc1cccc(C2=CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000540045016 1117839282 /nfs/dbraw/zinc/83/92/82/1117839282.db2.gz YVPZQKWGVZMFTF-UHFFFAOYSA-N 1 1 356.429 4.206 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540059565 1117847816 /nfs/dbraw/zinc/84/78/16/1117847816.db2.gz OIGJPRSORBVOTD-CXAGYDPISA-N 1 1 361.367 4.186 20 30 FIEDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccc1 ZINC000540078580 1117861376 /nfs/dbraw/zinc/86/13/76/1117861376.db2.gz ZYKTZEVIPXUMIL-JOCHJYFZSA-N 1 1 374.488 4.228 20 30 FIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463039749 1117933127 /nfs/dbraw/zinc/93/31/27/1117933127.db2.gz CIYASVWRWFKKJJ-HSZRJFAPSA-N 1 1 351.490 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O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451349546 1107034520 /nfs/dbraw/zinc/03/45/20/1107034520.db2.gz XOWVOODQJYBKJV-CEXWTWQISA-N 1 1 351.412 4.072 20 30 FIEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000451608294 1107198383 /nfs/dbraw/zinc/19/83/83/1107198383.db2.gz RRGCUWURQFGYNE-FZZIBODNSA-N 1 1 354.237 4.038 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)c1C ZINC000530662539 1107234972 /nfs/dbraw/zinc/23/49/72/1107234972.db2.gz SRTLZYXSRWVSMV-LJQANCHMSA-N 1 1 361.489 4.169 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3ccccc3[C@H]2C)c1C ZINC000530662539 1107234974 /nfs/dbraw/zinc/23/49/74/1107234974.db2.gz SRTLZYXSRWVSMV-LJQANCHMSA-N 1 1 361.489 4.169 20 30 FIEDMO N#CC1(CCC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CCOCC1 ZINC000451880959 1107358057 /nfs/dbraw/zinc/35/80/57/1107358057.db2.gz XJQFDLWNAYVTQF-IBGZPJMESA-N 1 1 352.482 4.190 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451965330 1107396747 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C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447400095 1109534263 /nfs/dbraw/zinc/53/42/63/1109534263.db2.gz YJMPMYSIPNXCED-ZWKOTPCHSA-N 1 1 356.473 4.378 20 30 FIEDMO CN(C)C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(Cl)c1 ZINC000527811224 1109828109 /nfs/dbraw/zinc/82/81/09/1109828109.db2.gz QWBHGBLOJBMVNF-MRXNPFEDSA-N 1 1 354.306 4.319 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000449047081 1109967306 /nfs/dbraw/zinc/96/73/06/1109967306.db2.gz MUBMOOKCQLXLDN-FGZHOGPDSA-N 1 1 374.463 4.498 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000449047081 1109967309 /nfs/dbraw/zinc/96/73/09/1109967309.db2.gz MUBMOOKCQLXLDN-FGZHOGPDSA-N 1 1 374.463 4.498 20 30 FIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000449458100 1110077007 /nfs/dbraw/zinc/07/70/07/1110077007.db2.gz VMCWMGZRPINHLD-HXUWFJFHSA-N 1 1 358.869 4.188 20 30 FIEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449562518 1110111354 /nfs/dbraw/zinc/11/13/54/1110111354.db2.gz LLQBBXBACRLLJS-QGZVFWFLSA-N 1 1 360.461 4.204 20 30 FIEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449620320 1110127435 /nfs/dbraw/zinc/12/74/35/1110127435.db2.gz UNHYIYOJYOCTMM-OAQYLSRUSA-N 1 1 364.489 4.120 20 30 FIEDMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000026331017 1110169613 /nfs/dbraw/zinc/16/96/13/1110169613.db2.gz KGYCTHNHSXEKDE-CVEARBPZSA-N 1 1 361.445 4.002 20 30 FIEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000026331017 1110169615 /nfs/dbraw/zinc/16/96/15/1110169615.db2.gz KGYCTHNHSXEKDE-CVEARBPZSA-N 1 1 361.445 4.002 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000016334350 1110240572 /nfs/dbraw/zinc/24/05/72/1110240572.db2.gz OFZYDILGKOVOCM-UHFFFAOYSA-N 1 1 359.539 4.482 20 30 FIEDMO CC1(C#N)CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529544771 1110285341 /nfs/dbraw/zinc/28/53/41/1110285341.db2.gz XZBKAHJHODISPP-UHFFFAOYSA-N 1 1 365.300 4.026 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000450349716 1110286196 /nfs/dbraw/zinc/28/61/96/1110286196.db2.gz PGDJROOIWRHQLH-KSSFIOAISA-N 1 1 356.451 4.023 20 30 FIEDMO C[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450712240 1110334190 /nfs/dbraw/zinc/33/41/90/1110334190.db2.gz FUIWLLWGUPOCRS-MRXNPFEDSA-N 1 1 357.461 4.078 20 30 FIEDMO C=C[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461423130 1111207046 /nfs/dbraw/zinc/20/70/46/1111207046.db2.gz DRBQSDJOAOIWJC-JRFVFWCSSA-N 1 1 374.528 4.327 20 30 FIEDMO C=CCc1cc(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(OC)c1O ZINC000538717658 1111258832 /nfs/dbraw/zinc/25/88/32/1111258832.db2.gz PNBUXAPSNWAYDB-UIFIKXQLSA-N 1 1 359.510 4.155 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000538751346 1111281662 /nfs/dbraw/zinc/28/16/62/1111281662.db2.gz FQZULPWGHCCUIF-NRFANRHFSA-N 1 1 367.489 4.299 20 30 FIEDMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000538824047 1111316369 /nfs/dbraw/zinc/31/63/69/1111316369.db2.gz BRESGJBIBXWFSW-UHFFFAOYSA-N 1 1 370.456 4.246 20 30 FIEDMO N#Cc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1F ZINC000539248076 1111484825 /nfs/dbraw/zinc/48/48/25/1111484825.db2.gz JROZFJYEVPNWHK-QHCPKHFHSA-N 1 1 363.480 4.185 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl ZINC000478032351 1111658228 /nfs/dbraw/zinc/65/82/28/1111658228.db2.gz IHJJZIDOPFSUAL-MRXNPFEDSA-N 1 1 355.869 4.428 20 30 FIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478055215 1111659567 /nfs/dbraw/zinc/65/95/67/1111659567.db2.gz VLLUXFSNPMLTFS-UHFFFAOYSA-N 1 1 374.868 4.227 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000552322130 1111668030 /nfs/dbraw/zinc/66/80/30/1111668030.db2.gz DKQKKQLQDJZDLR-GFCCVEGCSA-N 1 1 365.246 4.399 20 30 FIEDMO Cc1sc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)nc1C(C)C ZINC000478253056 1111725311 /nfs/dbraw/zinc/72/53/11/1111725311.db2.gz IKWPETOOGCHNTA-UHFFFAOYSA-N 1 1 365.506 4.137 20 30 FIEDMO C=C(C)[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000478913827 1111916066 /nfs/dbraw/zinc/91/60/66/1111916066.db2.gz UNQVXDNTBLQRHX-JXFKEZNVSA-N 1 1 362.464 4.353 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c(C#N)c1C ZINC000478973264 1111924383 /nfs/dbraw/zinc/92/43/83/1111924383.db2.gz SSDBIBLUZYQALP-LJQANCHMSA-N 1 1 365.502 4.327 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000479404618 1112008498 /nfs/dbraw/zinc/00/84/98/1112008498.db2.gz DKNQBIWSUDACCQ-OAQYLSRUSA-N 1 1 351.425 4.003 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984139 1112152225 /nfs/dbraw/zinc/15/22/25/1112152225.db2.gz CVOMBCUOLSMJLN-SFHVURJKSA-N 1 1 360.461 4.285 20 30 FIEDMO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984139 1112152228 /nfs/dbraw/zinc/15/22/28/1112152228.db2.gz CVOMBCUOLSMJLN-SFHVURJKSA-N 1 1 360.461 4.285 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984139 1112152232 /nfs/dbraw/zinc/15/22/32/1112152232.db2.gz CVOMBCUOLSMJLN-SFHVURJKSA-N 1 1 360.461 4.285 20 30 FIEDMO C=CCN(C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)C1CC1 ZINC000667609391 1112249302 /nfs/dbraw/zinc/24/93/02/1112249302.db2.gz BLBPWWGDROBUFU-UHFFFAOYSA-N 1 1 356.495 4.073 20 30 FIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000554243828 1112267129 /nfs/dbraw/zinc/26/71/29/1112267129.db2.gz MPWYOZMIEDFSDP-UHFFFAOYSA-N 1 1 359.267 4.354 20 30 FIEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732742 1112470463 /nfs/dbraw/zinc/47/04/63/1112470463.db2.gz OLWCEDZUEXOKDI-SJORKVTESA-N 1 1 362.811 4.051 20 30 FIEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732742 1112470465 /nfs/dbraw/zinc/47/04/65/1112470465.db2.gz OLWCEDZUEXOKDI-SJORKVTESA-N 1 1 362.811 4.051 20 30 FIEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732740 1112470671 /nfs/dbraw/zinc/47/06/71/1112470671.db2.gz OLWCEDZUEXOKDI-IAGOWNOFSA-N 1 1 362.811 4.051 20 30 FIEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732740 1112470674 /nfs/dbraw/zinc/47/06/74/1112470674.db2.gz OLWCEDZUEXOKDI-IAGOWNOFSA-N 1 1 362.811 4.051 20 30 FIEDMO C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000554849106 1112528150 /nfs/dbraw/zinc/52/81/50/1112528150.db2.gz USOPBNLQZWLEOV-MBSDFSHPSA-N 1 1 369.468 4.267 20 30 FIEDMO C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000555104370 1112670072 /nfs/dbraw/zinc/67/00/72/1112670072.db2.gz IWUBVUZGTIBFHA-YOEHRIQHSA-N 1 1 365.443 4.320 20 30 FIEDMO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000555146980 1112694363 /nfs/dbraw/zinc/69/43/63/1112694363.db2.gz HZMFQRBZLDWKMH-UGKGYDQZSA-N 1 1 361.489 4.059 20 30 FIEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000555146977 1112694457 /nfs/dbraw/zinc/69/44/57/1112694457.db2.gz HZMFQRBZLDWKMH-KNQAVFIVSA-N 1 1 361.489 4.059 20 30 FIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCOCCC#N)c1 ZINC000555422843 1112828537 /nfs/dbraw/zinc/82/85/37/1112828537.db2.gz JUJLCOCDQBNYNG-FGZHOGPDSA-N 1 1 350.462 4.156 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1OCC(F)(F)F ZINC000600108508 1112882798 /nfs/dbraw/zinc/88/27/98/1112882798.db2.gz BRPISCUQPJHLJB-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1OCC(F)(F)F ZINC000600108508 1112882815 /nfs/dbraw/zinc/88/28/15/1112882815.db2.gz BRPISCUQPJHLJB-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000481313490 1112894796 /nfs/dbraw/zinc/89/47/96/1112894796.db2.gz GTGGBQWTNKDNGP-INIZCTEOSA-N 1 1 355.507 4.209 20 30 FIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000481313490 1112894809 /nfs/dbraw/zinc/89/48/09/1112894809.db2.gz GTGGBQWTNKDNGP-INIZCTEOSA-N 1 1 355.507 4.209 20 30 FIEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ncc1Br ZINC000600111253 1112895511 /nfs/dbraw/zinc/89/55/11/1112895511.db2.gz FGCGEZPUCZAMCL-UHFFFAOYSA-N 1 1 356.267 4.189 20 30 FIEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ncc1Br ZINC000600111253 1112895519 /nfs/dbraw/zinc/89/55/19/1112895519.db2.gz FGCGEZPUCZAMCL-UHFFFAOYSA-N 1 1 356.267 4.189 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000555590538 1112934167 /nfs/dbraw/zinc/93/41/67/1112934167.db2.gz JQCLLHHMUUUPSN-CYBMUJFWSA-N 1 1 354.816 4.387 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000481568633 1112984669 /nfs/dbraw/zinc/98/46/69/1112984669.db2.gz KJDSJLQXPWUZEM-GPINWOSQSA-N 1 1 350.453 4.350 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000481595192 1112991470 /nfs/dbraw/zinc/99/14/70/1112991470.db2.gz IIFQRASMFZSCEB-ORAYPTAESA-N 1 1 360.404 4.207 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000481598456 1112992322 /nfs/dbraw/zinc/99/23/22/1112992322.db2.gz VEVJQFUFCGBARC-LJQANCHMSA-N 1 1 364.823 4.141 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000481619439 1112998553 /nfs/dbraw/zinc/99/85/53/1112998553.db2.gz GIUHPBCCLCLSCU-VBKZILBWSA-N 1 1 356.416 4.149 20 30 FIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCCSCC#N ZINC000481831202 1113094292 /nfs/dbraw/zinc/09/42/92/1113094292.db2.gz LSGHATZVAJQSNJ-HNNXBMFYSA-N 1 1 355.345 4.349 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC001126917472 1113115446 /nfs/dbraw/zinc/11/54/46/1113115446.db2.gz SSGOMAFUNPWGTB-HSZRJFAPSA-N 1 1 364.464 4.237 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1Cl ZINC000482460588 1113267364 /nfs/dbraw/zinc/26/73/64/1113267364.db2.gz YDDIWPNPOGKBRP-FQEVSTJZSA-N 1 1 365.901 4.065 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1Cl ZINC000482460588 1113267368 /nfs/dbraw/zinc/26/73/68/1113267368.db2.gz YDDIWPNPOGKBRP-FQEVSTJZSA-N 1 1 365.901 4.065 20 30 FIEDMO C=C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000159949101 1113275409 /nfs/dbraw/zinc/27/54/09/1113275409.db2.gz KVFMFEZGFUBTQP-GOSISDBHSA-N 1 1 363.436 4.296 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000482625797 1113317075 /nfs/dbraw/zinc/31/70/75/1113317075.db2.gz XLCRGLAMKUKMOW-MRXNPFEDSA-N 1 1 374.504 4.380 20 30 FIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000482953750 1113406194 /nfs/dbraw/zinc/40/61/94/1113406194.db2.gz DMNXQKBVGULCSF-QFIPXVFZSA-N 1 1 372.447 4.055 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+](CC1CC1)CC1CCC1)c1cccc(Cl)c1 ZINC000483288672 1113480932 /nfs/dbraw/zinc/48/09/32/1113480932.db2.gz IEWQWMCUUVEEBU-UHFFFAOYSA-N 1 1 359.901 4.099 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@@H+](CC2CC2)C2CCC2)sc2c1CCCC2 ZINC000483308599 1113484534 /nfs/dbraw/zinc/48/45/34/1113484534.db2.gz OAZYPICWTFLALQ-UHFFFAOYSA-N 1 1 357.523 4.092 20 30 FIEDMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000486442097 1113569251 /nfs/dbraw/zinc/56/92/51/1113569251.db2.gz BALQYFZTXBOHIM-FQEVSTJZSA-N 1 1 355.869 4.006 20 30 FIEDMO CCCC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000027273310 1113572172 /nfs/dbraw/zinc/57/21/72/1113572172.db2.gz FAYVZQSSYLOZOH-UHFFFAOYSA-N 1 1 366.509 4.085 20 30 FIEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486473420 1113575506 /nfs/dbraw/zinc/57/55/06/1113575506.db2.gz VPJOKSKYKYMWSX-NFBKMPQASA-N 1 1 370.456 4.162 20 30 FIEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000488186213 1113874916 /nfs/dbraw/zinc/87/49/16/1113874916.db2.gz WWTXVVNDYZHZPU-AWEZNQCLSA-N 1 1 358.436 4.309 20 30 FIEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488517212 1113948252 /nfs/dbraw/zinc/94/82/52/1113948252.db2.gz UERYVXPWEIXGSG-CQSZACIVSA-N 1 1 371.868 4.069 20 30 FIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000489428686 1114107240 /nfs/dbraw/zinc/10/72/40/1114107240.db2.gz NQTMXSMKXYTTCR-FXAWDEMLSA-N 1 1 358.482 4.133 20 30 FIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000489428686 1114107242 /nfs/dbraw/zinc/10/72/42/1114107242.db2.gz NQTMXSMKXYTTCR-FXAWDEMLSA-N 1 1 358.482 4.133 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1ccccc1 ZINC000489783894 1114171816 /nfs/dbraw/zinc/17/18/16/1114171816.db2.gz WVARSZXBZTVTSN-RMVXJAJNSA-N 1 1 355.526 4.066 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490048563 1114210185 /nfs/dbraw/zinc/21/01/85/1114210185.db2.gz UHBRTLSUVNJFAC-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490048563 1114210186 /nfs/dbraw/zinc/21/01/86/1114210186.db2.gz UHBRTLSUVNJFAC-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000571113251 1114435601 /nfs/dbraw/zinc/43/56/01/1114435601.db2.gz CMMBXXWKANPJOK-INIZCTEOSA-N 1 1 364.415 4.430 20 30 FIEDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c2nccn21 ZINC000571254489 1114450437 /nfs/dbraw/zinc/45/04/37/1114450437.db2.gz WRGZWVJCWZNKJI-KKSFZXQISA-N 1 1 358.445 4.129 20 30 FIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(O)c(OC)c1 ZINC000164396524 1114476522 /nfs/dbraw/zinc/47/65/22/1114476522.db2.gz FVVSWFZQLBLLIT-QGZVFWFLSA-N 1 1 353.462 4.127 20 30 FIEDMO N#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000588157392 1114530309 /nfs/dbraw/zinc/53/03/09/1114530309.db2.gz MQIPGXFVUABGMG-IBGZPJMESA-N 1 1 361.917 4.285 20 30 FIEDMO CC(C)[N@@H+](Cc1cccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000572208179 1114622382 /nfs/dbraw/zinc/62/23/82/1114622382.db2.gz YHPHFOPZKOJBTM-IBGZPJMESA-N 1 1 353.491 4.026 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000165460847 1114812394 /nfs/dbraw/zinc/81/23/94/1114812394.db2.gz AYDAPRNLYQZHGS-IBGZPJMESA-N 1 1 353.853 4.377 20 30 FIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000590765827 1114968633 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1118933286 /nfs/dbraw/zinc/93/32/86/1118933286.db2.gz SGAOMAFDDRTZMX-SFHVURJKSA-N 1 1 356.853 4.098 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(C#N)cc1 ZINC000609152032 1118944388 /nfs/dbraw/zinc/94/43/88/1118944388.db2.gz TZAUBFHOKOIVBM-KRWDZBQOSA-N 1 1 363.461 4.064 20 30 FIEDMO N#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000549917449 1118975043 /nfs/dbraw/zinc/97/50/43/1118975043.db2.gz LVAPFAFIFOXZTG-HXUWFJFHSA-N 1 1 374.444 4.214 20 30 FIEDMO N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000549917449 1118975045 /nfs/dbraw/zinc/97/50/45/1118975045.db2.gz LVAPFAFIFOXZTG-HXUWFJFHSA-N 1 1 374.444 4.214 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cccs1 ZINC000173758306 1119068694 /nfs/dbraw/zinc/06/86/94/1119068694.db2.gz QLIGAIJKDCMINC-OAHLLOKOSA-N 1 1 373.547 4.113 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cccs1 ZINC000173758306 1119068700 /nfs/dbraw/zinc/06/87/00/1119068700.db2.gz QLIGAIJKDCMINC-OAHLLOKOSA-N 1 1 373.547 4.113 20 30 FIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000152200044 1119151298 /nfs/dbraw/zinc/15/12/98/1119151298.db2.gz GGUABJXNYITBFH-HSZRJFAPSA-N 1 1 358.441 4.455 20 30 FIEDMO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174855215 1119157821 /nfs/dbraw/zinc/15/78/21/1119157821.db2.gz ALZYXTQOZYQXOK-MRXNPFEDSA-N 1 1 361.445 4.136 20 30 FIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174855215 1119157824 /nfs/dbraw/zinc/15/78/24/1119157824.db2.gz ALZYXTQOZYQXOK-MRXNPFEDSA-N 1 1 361.445 4.136 20 30 FIEDMO C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670018367 1119483201 /nfs/dbraw/zinc/48/32/01/1119483201.db2.gz WZPKMRJGKRBKFL-QKHUXGNCSA-N 1 1 361.917 4.128 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828807 1119560345 /nfs/dbraw/zinc/56/03/45/1119560345.db2.gz BORMFSVOMVGWRA-ICSRJNTNSA-N 1 1 355.526 4.037 20 30 FIEDMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1ccccc1SCC#N ZINC000184503307 1119612561 /nfs/dbraw/zinc/61/25/61/1119612561.db2.gz CBWAUKYWZIBTPH-UHFFFAOYSA-N 1 1 373.547 4.257 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000186448872 1119730904 /nfs/dbraw/zinc/73/09/04/1119730904.db2.gz JNSFKRMVCQCNJZ-IFXJQAMLSA-N 1 1 365.445 4.034 20 30 FIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccc(F)c(F)c1 ZINC000187369037 1119779835 /nfs/dbraw/zinc/77/98/35/1119779835.db2.gz JUOSPTYJVDRYRN-GOSISDBHSA-N 1 1 363.404 4.398 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000494239837 1119801889 /nfs/dbraw/zinc/80/18/89/1119801889.db2.gz ACCCXPVLPWJDSI-UVTDQMKNSA-N 1 1 353.491 4.210 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000494239837 1119801894 /nfs/dbraw/zinc/80/18/94/1119801894.db2.gz ACCCXPVLPWJDSI-UVTDQMKNSA-N 1 1 353.491 4.210 20 30 FIEDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000494471384 1119873242 /nfs/dbraw/zinc/87/32/42/1119873242.db2.gz FXHPMOGQZBSNKJ-JTQLQIEISA-N 1 1 367.302 4.475 20 30 FIEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000494637073 1120013344 /nfs/dbraw/zinc/01/33/44/1120013344.db2.gz JYCFCDWGKQITBB-KSSFIOAISA-N 1 1 371.868 4.117 20 30 FIEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000494637073 1120013347 /nfs/dbraw/zinc/01/33/47/1120013347.db2.gz JYCFCDWGKQITBB-KSSFIOAISA-N 1 1 371.868 4.117 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001127308304 1120335298 /nfs/dbraw/zinc/33/52/98/1120335298.db2.gz HUNCGMIATPGKDS-DSKINZAPSA-N 1 1 357.542 4.051 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001127308304 1120335306 /nfs/dbraw/zinc/33/53/06/1120335306.db2.gz HUNCGMIATPGKDS-DSKINZAPSA-N 1 1 357.542 4.051 20 30 FIEDMO CCOc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000495160186 1120516892 /nfs/dbraw/zinc/51/68/92/1120516892.db2.gz VODUODOBBPZHJI-UHFFFAOYSA-N 1 1 354.425 4.139 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccsc1 ZINC000495229658 1120548124 /nfs/dbraw/zinc/54/81/24/1120548124.db2.gz CEFOIBJAJLDODS-AWEZNQCLSA-N 1 1 352.463 4.123 20 30 FIEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CCCCC1 ZINC000303065243 1120729674 /nfs/dbraw/zinc/72/96/74/1120729674.db2.gz YPISCLNBODHKAG-OAQYLSRUSA-N 1 1 361.489 4.319 20 30 FIEDMO Oc1cccc(/C=N\C[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1O ZINC000915113524 1120820472 /nfs/dbraw/zinc/82/04/72/1120820472.db2.gz XVGHJFRAJYOJKV-OLIBUNOHSA-N 1 1 362.832 4.146 20 30 FIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762750530 1120959319 /nfs/dbraw/zinc/95/93/19/1120959319.db2.gz WTESZBQUYIUQLD-LBPRGKRZSA-N 1 1 365.246 4.399 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C/c3ccccc3C#N)cc2)C1 ZINC000915600898 1121008238 /nfs/dbraw/zinc/00/82/38/1121008238.db2.gz RFUJWTJBHDMRKN-HYSAVQALSA-N 1 1 373.500 4.120 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000915615110 1121010516 /nfs/dbraw/zinc/01/05/16/1121010516.db2.gz KBGYOWRBTOWJAJ-JXOMPUQVSA-N 1 1 373.500 4.120 20 30 FIEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000107073640 1121286460 /nfs/dbraw/zinc/28/64/60/1121286460.db2.gz NFTFSQSUBCFCBH-CVEARBPZSA-N 1 1 357.523 4.274 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000763224483 1121298118 /nfs/dbraw/zinc/29/81/18/1121298118.db2.gz AUWDQKLIPFRPAL-MJGOQNOKSA-N 1 1 363.486 4.081 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000763232149 1121299574 /nfs/dbraw/zinc/29/95/74/1121299574.db2.gz REHCGKRDWVPLPD-JXFKEZNVSA-N 1 1 358.844 4.091 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000763232679 1121299784 /nfs/dbraw/zinc/29/97/84/1121299784.db2.gz AOANZWAITOBLJS-RTBURBONSA-N 1 1 371.278 4.191 20 30 FIEDMO C[N@H+]1CCCN(c2ccc(N=Cc3c(O)ccc4ccccc43)cc2)CC1 ZINC000915981213 1121362685 /nfs/dbraw/zinc/36/26/85/1121362685.db2.gz OGOPXWHABUDREY-UHFFFAOYSA-N 1 1 359.473 4.438 20 30 FIEDMO CCC[N@H+](Cc1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405526 1121576381 /nfs/dbraw/zinc/57/63/81/1121576381.db2.gz CSSZJYFBMIWXMP-LJQANCHMSA-N 1 1 373.294 4.266 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000763409108 1121577792 /nfs/dbraw/zinc/57/77/92/1121577792.db2.gz UAEZQVDOEKXDHT-HSZRJFAPSA-N 1 1 360.432 4.433 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000763404164 1121580348 /nfs/dbraw/zinc/58/03/48/1121580348.db2.gz RNNRSBGKPYMSFA-OALUTQOASA-N 1 1 360.379 4.448 20 30 FIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000916638247 1121588861 /nfs/dbraw/zinc/58/88/61/1121588861.db2.gz CKGOIMHYXQTBQD-BHIFYINESA-N 1 1 374.488 4.090 20 30 FIEDMO Cc1nccn1CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000124989882 1121737920 /nfs/dbraw/zinc/73/79/20/1121737920.db2.gz SUMOWKUSXWXVQV-UHFFFAOYSA-N 1 1 362.452 4.295 20 30 FIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001168595120 1121759965 /nfs/dbraw/zinc/75/99/65/1121759965.db2.gz WXXYUSWYMGBFKJ-CYBMUJFWSA-N 1 1 367.342 4.435 20 30 FIEDMO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC001168604831 1121956010 /nfs/dbraw/zinc/95/60/10/1121956010.db2.gz SXCXNLSQJSQKHA-IRXDYDNUSA-N 1 1 371.525 4.317 20 30 FIEDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC001168604831 1121956013 /nfs/dbraw/zinc/95/60/13/1121956013.db2.gz SXCXNLSQJSQKHA-IRXDYDNUSA-N 1 1 371.525 4.317 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1C ZINC000917039454 1122011081 /nfs/dbraw/zinc/01/10/81/1122011081.db2.gz DRCQHEFEJOZYBH-SFHVURJKSA-N 1 1 361.489 4.169 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)c1C ZINC000917039454 1122011092 /nfs/dbraw/zinc/01/10/92/1122011092.db2.gz DRCQHEFEJOZYBH-SFHVURJKSA-N 1 1 361.489 4.169 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154282768 1122153436 /nfs/dbraw/zinc/15/34/36/1122153436.db2.gz UMPMEVZAVHSUMC-HNNXBMFYSA-N 1 1 351.406 4.050 20 30 FIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000917125198 1122168211 /nfs/dbraw/zinc/16/82/11/1122168211.db2.gz USXAFHYLVIRYCI-LPHOPBHVSA-N 1 1 370.456 4.225 20 30 FIEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000618273402 1122210884 /nfs/dbraw/zinc/21/08/84/1122210884.db2.gz SOPIDHCKNAHVSD-UHFFFAOYSA-N 1 1 363.505 4.318 20 30 FIEDMO C=CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000917168182 1122214098 /nfs/dbraw/zinc/21/40/98/1122214098.db2.gz RSZRGMZVJHBVSP-UHFFFAOYSA-N 1 1 356.514 4.317 20 30 FIEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000497584562 1122296415 /nfs/dbraw/zinc/29/64/15/1122296415.db2.gz HGFDSDOWHGMJEK-NRFANRHFSA-N 1 1 366.505 4.036 20 30 FIEDMO CCc1ccc([C@@H](C)NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609077 1122305960 /nfs/dbraw/zinc/30/59/60/1122305960.db2.gz DKTUPHAPLZMBRE-QZTJIDSGSA-N 1 1 363.505 4.381 20 30 FIEDMO Cc1nc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)ccc1C#N ZINC000497898002 1122463307 /nfs/dbraw/zinc/46/33/07/1122463307.db2.gz DBSVCVNLYJLQJX-UHFFFAOYSA-N 1 1 362.477 4.279 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](C)c2ccccc2)c1C ZINC000556065863 1122637004 /nfs/dbraw/zinc/63/70/04/1122637004.db2.gz YGFAZNOAZATXHU-IBGZPJMESA-N 1 1 363.505 4.286 20 30 FIEDMO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000556205165 1122730413 /nfs/dbraw/zinc/73/04/13/1122730413.db2.gz LTUYYGVAGXYDPX-SJKOYZFVSA-N 1 1 371.282 4.229 20 30 FIEDMO Fc1cccc(OCC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000918740344 1122769094 /nfs/dbraw/zinc/76/90/94/1122769094.db2.gz GXRFJOLFBVBEJN-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO Fc1cccc(OCC[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000918740344 1122769096 /nfs/dbraw/zinc/76/90/96/1122769096.db2.gz GXRFJOLFBVBEJN-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130635300 1122891691 /nfs/dbraw/zinc/89/16/91/1122891691.db2.gz HNMYUTUVULGCLT-PGRDOPGGSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130635300 1122891695 /nfs/dbraw/zinc/89/16/95/1122891695.db2.gz HNMYUTUVULGCLT-PGRDOPGGSA-N 1 1 350.462 4.331 20 30 FIEDMO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)nc1C ZINC000542613421 1122893784 /nfs/dbraw/zinc/89/37/84/1122893784.db2.gz QMAHEVJEAKBMEU-CQSZACIVSA-N 1 1 371.506 4.280 20 30 FIEDMO CC(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1Cl ZINC000556517967 1122938918 /nfs/dbraw/zinc/93/89/18/1122938918.db2.gz ICEAVAORUMYWHP-KRWDZBQOSA-N 1 1 374.916 4.015 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1Cl ZINC000556517967 1122938922 /nfs/dbraw/zinc/93/89/22/1122938922.db2.gz ICEAVAORUMYWHP-KRWDZBQOSA-N 1 1 374.916 4.015 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)c1 ZINC000556609491 1122997889 /nfs/dbraw/zinc/99/78/89/1122997889.db2.gz UGTMULFRXILKJJ-DHIUTWEWSA-N 1 1 362.473 4.281 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2Cl)C2CC2)cc1 ZINC000194961500 1123054636 /nfs/dbraw/zinc/05/46/36/1123054636.db2.gz WMOLVINGZNWLJP-UHFFFAOYSA-N 1 1 353.853 4.205 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000073496610 1123224043 /nfs/dbraw/zinc/22/40/43/1123224043.db2.gz ARJOGTXFLNEOJO-OAHLLOKOSA-N 1 1 356.495 4.430 20 30 FIEDMO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920484918 1123462524 /nfs/dbraw/zinc/46/25/24/1123462524.db2.gz KHGYOQHMHRNIDN-KRWDZBQOSA-N 1 1 360.502 4.484 20 30 FIEDMO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000920484918 1123462528 /nfs/dbraw/zinc/46/25/28/1123462528.db2.gz KHGYOQHMHRNIDN-KRWDZBQOSA-N 1 1 360.502 4.484 20 30 FIEDMO CCOc1cccc(/C=N/C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000921260625 1123604943 /nfs/dbraw/zinc/60/49/43/1123604943.db2.gz CHPCQBOQEPECQA-CKMDTHJYSA-N 1 1 352.478 4.122 20 30 FIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000609346850 1123677944 /nfs/dbraw/zinc/67/79/44/1123677944.db2.gz RZDNHGAMPFCYQY-HDICACEKSA-N 1 1 361.489 4.218 20 30 FIEDMO C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135264225 1123731537 /nfs/dbraw/zinc/73/15/37/1123731537.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 1 1 361.533 4.442 20 30 FIEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135264225 1123731538 /nfs/dbraw/zinc/73/15/38/1123731538.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 1 1 361.533 4.442 20 30 FIEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135264225 1123731539 /nfs/dbraw/zinc/73/15/39/1123731539.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000135264225 1123731540 /nfs/dbraw/zinc/73/15/40/1123731540.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 1 1 361.533 4.442 20 30 FIEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000135264225 1123731542 /nfs/dbraw/zinc/73/15/42/1123731542.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 1 1 361.533 4.442 20 30 FIEDMO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)c1 ZINC000135294509 1123736088 /nfs/dbraw/zinc/73/60/88/1123736088.db2.gz OEWRDCZZCFVLKK-NRFANRHFSA-N 1 1 350.462 4.070 20 30 FIEDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)c1 ZINC000135294509 1123736093 /nfs/dbraw/zinc/73/60/93/1123736093.db2.gz OEWRDCZZCFVLKK-NRFANRHFSA-N 1 1 350.462 4.070 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541515 1123747602 /nfs/dbraw/zinc/74/76/02/1123747602.db2.gz XWPVAZDPEUVJJY-WMLDXEAASA-N 1 1 353.853 4.028 20 30 FIEDMO COc1ccc(CC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000609672685 1123793007 /nfs/dbraw/zinc/79/30/07/1123793007.db2.gz XRADNGFAASXPCT-UHFFFAOYSA-N 1 1 352.478 4.276 20 30 FIEDMO CC(C)[N@@H+](C)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000609731820 1123812300 /nfs/dbraw/zinc/81/23/00/1123812300.db2.gz JWUOFNLLAGCQFA-UHFFFAOYSA-N 1 1 371.868 4.074 20 30 FIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610013570 1123920045 /nfs/dbraw/zinc/92/00/45/1123920045.db2.gz ONDYLHCLLVJXQL-TZIWHRDSSA-N 1 1 368.477 4.011 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000610133252 1123950021 /nfs/dbraw/zinc/95/00/21/1123950021.db2.gz AMEDWGYDHWILHA-GOSISDBHSA-N 1 1 354.450 4.464 20 30 FIEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)o1 ZINC000137064971 1123960278 /nfs/dbraw/zinc/96/02/78/1123960278.db2.gz ZGYQEIIQLBETNF-HXUWFJFHSA-N 1 1 354.450 4.446 20 30 FIEDMO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000237570333 1123980941 /nfs/dbraw/zinc/98/09/41/1123980941.db2.gz UNYONOQYXRSZTJ-NZQKXSOJSA-N 1 1 362.517 4.231 20 30 FIEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237723557 1124032337 /nfs/dbraw/zinc/03/23/37/1124032337.db2.gz XJKJBGOTHAKWMF-UHFFFAOYSA-N 1 1 368.843 4.443 20 30 FIEDMO C#CCCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000179920156 1124134119 /nfs/dbraw/zinc/13/41/19/1124134119.db2.gz WDZUKLNKJGMRGI-UHFFFAOYSA-N 1 1 367.320 4.268 20 30 FIEDMO Cc1nnc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C#N)c1C ZINC000301091070 1124191116 /nfs/dbraw/zinc/19/11/16/1124191116.db2.gz OMUKKLPVOPYRMO-KRWDZBQOSA-N 1 1 373.863 4.007 20 30 FIEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301134749 1124195530 /nfs/dbraw/zinc/19/55/30/1124195530.db2.gz YCENUXDHMCWHCY-MRXNPFEDSA-N 1 1 360.436 4.129 20 30 FIEDMO N#Cc1cccnc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000301186342 1124201534 /nfs/dbraw/zinc/20/15/34/1124201534.db2.gz FCLKFTGALVSRLF-UHFFFAOYSA-N 1 1 361.276 4.337 20 30 FIEDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000553950537 1124234593 /nfs/dbraw/zinc/23/45/93/1124234593.db2.gz UHHLURVGPVLXNM-UHFFFAOYSA-N 1 1 362.452 4.213 20 30 FIEDMO C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000301617101 1124245632 /nfs/dbraw/zinc/24/56/32/1124245632.db2.gz KEUPMQDLPFALJS-CJNGLKHVSA-N 1 1 360.383 4.047 20 30 FIEDMO N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1Cl ZINC000301713122 1124253844 /nfs/dbraw/zinc/25/38/44/1124253844.db2.gz LMJVRDJOXPAQLG-XLIONFOSSA-N 1 1 366.896 4.098 20 30 FIEDMO N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301776095 1124259731 /nfs/dbraw/zinc/25/97/31/1124259731.db2.gz LJWBALBAKYFVPC-VBKZILBWSA-N 1 1 366.896 4.213 20 30 FIEDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301816187 1124261708 /nfs/dbraw/zinc/26/17/08/1124261708.db2.gz DMQPRTJNHYKTHM-ZWKOTPCHSA-N 1 1 374.803 4.116 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301816187 1124261715 /nfs/dbraw/zinc/26/17/15/1124261715.db2.gz DMQPRTJNHYKTHM-ZWKOTPCHSA-N 1 1 374.803 4.116 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000302128959 1124285575 /nfs/dbraw/zinc/28/55/75/1124285575.db2.gz XJTGWXWVSXIDTE-QGZVFWFLSA-N 1 1 353.510 4.242 20 30 FIEDMO CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000091541818 1124459285 /nfs/dbraw/zinc/45/92/85/1124459285.db2.gz SPYWAWCLVSFGIF-GOSISDBHSA-N 1 1 370.518 4.114 20 30 FIEDMO CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000091541818 1124459289 /nfs/dbraw/zinc/45/92/89/1124459289.db2.gz SPYWAWCLVSFGIF-GOSISDBHSA-N 1 1 370.518 4.114 20 30 FIEDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246416984 1124495993 /nfs/dbraw/zinc/49/59/93/1124495993.db2.gz BRXLFQSOONEVIG-IAGOWNOFSA-N 1 1 359.539 4.389 20 30 FIEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246416984 1124496001 /nfs/dbraw/zinc/49/60/01/1124496001.db2.gz BRXLFQSOONEVIG-IAGOWNOFSA-N 1 1 359.539 4.389 20 30 FIEDMO CCOc1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)cs2)cc1OC ZINC000542877747 1124545639 /nfs/dbraw/zinc/54/56/39/1124545639.db2.gz AXMZPXIVYHUNFQ-UHFFFAOYSA-N 1 1 371.506 4.343 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000542883707 1124747809 /nfs/dbraw/zinc/74/78/09/1124747809.db2.gz NTGAEZSHOCFGIJ-LZJOCLMNSA-N 1 1 371.550 4.389 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000181404799 1124905092 /nfs/dbraw/zinc/90/50/92/1124905092.db2.gz SRZHBFZPXSYKLS-JQHSSLGASA-N 1 1 369.538 4.130 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000181404799 1124905093 /nfs/dbraw/zinc/90/50/93/1124905093.db2.gz SRZHBFZPXSYKLS-JQHSSLGASA-N 1 1 369.538 4.130 20 30 FIEDMO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000181420192 1124911383 /nfs/dbraw/zinc/91/13/83/1124911383.db2.gz MDFLKYRNXZFUJW-DEOSSOPVSA-N 1 1 371.484 4.495 20 30 FIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075743299 1124919770 /nfs/dbraw/zinc/91/97/70/1124919770.db2.gz AWQLZZTYKLXPIP-JOCHJYFZSA-N 1 1 358.445 4.162 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528026 1125046158 /nfs/dbraw/zinc/04/61/58/1125046158.db2.gz BOFHFZHXFAXRLD-NHCUHLMSSA-N 1 1 352.453 4.024 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](CC)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000499528023 1125046432 /nfs/dbraw/zinc/04/64/32/1125046432.db2.gz BOFHFZHXFAXRLD-LEWJYISDSA-N 1 1 352.453 4.024 20 30 FIEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532322 1125063224 /nfs/dbraw/zinc/06/32/24/1125063224.db2.gz MPBZHNOPIIZQEY-SJORKVTESA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532322 1125063232 /nfs/dbraw/zinc/06/32/32/1125063232.db2.gz MPBZHNOPIIZQEY-SJORKVTESA-N 1 1 352.400 4.019 20 30 FIEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000092224435 1125151105 /nfs/dbraw/zinc/15/11/05/1125151105.db2.gz ZJNGXHBFDHVDSE-LJQANCHMSA-N 1 1 370.884 4.065 20 30 FIEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000092224435 1125151107 /nfs/dbraw/zinc/15/11/07/1125151107.db2.gz ZJNGXHBFDHVDSE-LJQANCHMSA-N 1 1 370.884 4.065 20 30 FIEDMO FC(F)(F)COCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618752038 1125265103 /nfs/dbraw/zinc/26/51/03/1125265103.db2.gz XPBYHVXPIMKJOJ-DTORHVGOSA-N 1 1 361.248 4.018 20 30 FIEDMO N#Cc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000312093067 1125269268 /nfs/dbraw/zinc/26/92/68/1125269268.db2.gz CVKIJVBXOIQTRT-TZIWHRDSSA-N 1 1 365.908 4.166 20 30 FIEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619060383 1125428042 /nfs/dbraw/zinc/42/80/42/1125428042.db2.gz CQNXDPMQKMKHKH-SFTDATJTSA-N 1 1 362.473 4.366 20 30 FIEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619060383 1125428046 /nfs/dbraw/zinc/42/80/46/1125428046.db2.gz CQNXDPMQKMKHKH-SFTDATJTSA-N 1 1 362.473 4.366 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000603882131 568176490 /nfs/dbraw/zinc/17/64/90/568176490.db2.gz LZFUMYVXMDAJKN-APWZRJJASA-N 1 1 353.491 4.220 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2nccc(C#N)c2Cl)cc1 ZINC000568781900 568207465 /nfs/dbraw/zinc/20/74/65/568207465.db2.gz ZRZIGHMAKXZDBI-OAHLLOKOSA-N 1 1 354.885 4.015 20 30 FIEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000481988812 568215760 /nfs/dbraw/zinc/21/57/60/568215760.db2.gz GXGGAFAUHLGAKZ-UYAOXDASSA-N 1 1 366.896 4.098 20 30 FIEDMO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)no1 ZINC000481999595 568219998 /nfs/dbraw/zinc/21/99/98/568219998.db2.gz LZAAGPXKMCFCLH-FQEVSTJZSA-N 1 1 353.466 4.419 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000568894990 568247662 /nfs/dbraw/zinc/24/76/62/568247662.db2.gz MEDXIYUQIBEKJE-UHFFFAOYSA-N 1 1 365.424 4.351 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000568894990 568247663 /nfs/dbraw/zinc/24/76/63/568247663.db2.gz MEDXIYUQIBEKJE-UHFFFAOYSA-N 1 1 365.424 4.351 20 30 FIEDMO CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604416467 568274655 /nfs/dbraw/zinc/27/46/55/568274655.db2.gz RUDLXLZTAGZXCW-HSZRJFAPSA-N 1 1 374.484 4.168 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(CC)o1 ZINC000605187456 568614980 /nfs/dbraw/zinc/61/49/80/568614980.db2.gz YYOHHKCQTPCOKH-AZUAARDMSA-N 1 1 355.478 4.147 20 30 FIEDMO COc1ccc([C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cc1 ZINC000182049508 568701157 /nfs/dbraw/zinc/70/11/57/568701157.db2.gz ZPORGDHABPIUGM-HXUWFJFHSA-N 1 1 362.433 4.104 20 30 FIEDMO N#Cc1ccc2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164621001 719072838 /nfs/dbraw/zinc/07/28/38/719072838.db2.gz FYNHFPOWIUOLPY-FYYLOGMGSA-N 1 1 368.484 4.207 20 30 FIEDMO Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1C#N ZINC001164628539 719112108 /nfs/dbraw/zinc/11/21/08/719112108.db2.gz NLSRJYLWRKQJGW-PXNSSMCTSA-N 1 1 366.896 4.016 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000619722855 1125669675 /nfs/dbraw/zinc/66/96/75/1125669675.db2.gz DTTUVOWFLDSWKL-IBGZPJMESA-N 1 1 362.521 4.400 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1)C(C)C 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COC(=O)[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000176711025 1085276273 /nfs/dbraw/zinc/27/62/73/1085276273.db2.gz BDOKWWQZAWXMQX-NRFANRHFSA-N 1 1 363.461 4.121 20 30 FIEDMO CC[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(Br)cc1 ZINC000472242203 1085391061 /nfs/dbraw/zinc/39/10/61/1085391061.db2.gz OVYPHXSERDVCLB-UHFFFAOYSA-N 1 1 353.304 4.480 20 30 FIEDMO C=CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000661141993 1085417260 /nfs/dbraw/zinc/41/72/60/1085417260.db2.gz SULGKXSODYCGJW-DQXYTYHJSA-N 1 1 361.917 4.129 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000044895775 1085455831 /nfs/dbraw/zinc/45/58/31/1085455831.db2.gz DINQWNXERSFFRU-INIZCTEOSA-N 1 1 359.882 4.439 20 30 FIEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCCSCC#N)cc1OC ZINC000074989975 1085509804 /nfs/dbraw/zinc/50/98/04/1085509804.db2.gz KJUSLEARNAGXHN-GOSISDBHSA-N 1 1 362.539 4.138 20 30 FIEDMO CC(C)(C#N)CCCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000594028279 1085510010 /nfs/dbraw/zinc/51/00/10/1085510010.db2.gz LMOSSMQCDJZXKX-UHFFFAOYSA-N 1 1 351.288 4.364 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000594028279 1085510018 /nfs/dbraw/zinc/51/00/18/1085510018.db2.gz LMOSSMQCDJZXKX-UHFFFAOYSA-N 1 1 351.288 4.364 20 30 FIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000065603788 1085659337 /nfs/dbraw/zinc/65/93/37/1085659337.db2.gz CVHXNUTVDUZXHV-UHFFFAOYSA-N 1 1 374.488 4.180 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc2ccccc21 ZINC000097491767 1085667957 /nfs/dbraw/zinc/66/79/57/1085667957.db2.gz KHVPSSAXOUWJQF-UHFFFAOYSA-N 1 1 363.848 4.435 20 30 FIEDMO C=CC[N@@H+](Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C(C)(C)C ZINC000661755852 1085799084 /nfs/dbraw/zinc/79/90/84/1085799084.db2.gz SADCNGGVLJFWFJ-UHFFFAOYSA-N 1 1 367.396 4.133 20 30 FIEDMO C=CC[N@H+](Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C(C)(C)C ZINC000661755852 1085799090 /nfs/dbraw/zinc/79/90/90/1085799090.db2.gz SADCNGGVLJFWFJ-UHFFFAOYSA-N 1 1 367.396 4.133 20 30 FIEDMO C=CC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2C)n1)C(C)(C)C ZINC000661760337 1085804785 /nfs/dbraw/zinc/80/47/85/1085804785.db2.gz RLXGCZVGULXIRV-UHFFFAOYSA-N 1 1 357.523 4.419 20 30 FIEDMO C=CC[N@H+](Cc1csc(CC(=O)Nc2ccccc2C)n1)C(C)(C)C ZINC000661760337 1085804797 /nfs/dbraw/zinc/80/47/97/1085804797.db2.gz RLXGCZVGULXIRV-UHFFFAOYSA-N 1 1 357.523 4.419 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000237825032 1085923453 /nfs/dbraw/zinc/92/34/53/1085923453.db2.gz KTUIZGWHAOTDFV-UHFFFAOYSA-N 1 1 353.447 4.375 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187772669 1085925524 /nfs/dbraw/zinc/92/55/24/1085925524.db2.gz WFNCNDYTLIGWFJ-FQEVSTJZSA-N 1 1 358.388 4.013 20 30 FIEDMO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709625248 1085980940 /nfs/dbraw/zinc/98/09/40/1085980940.db2.gz CHNQNXQWWCZECG-IBGZPJMESA-N 1 1 364.449 4.323 20 30 FIEDMO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709625256 1085981101 /nfs/dbraw/zinc/98/11/01/1085981101.db2.gz CHNQNXQWWCZECG-LJQANCHMSA-N 1 1 364.449 4.323 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000583041800 1086068023 /nfs/dbraw/zinc/06/80/23/1086068023.db2.gz PHGFTPIDZNSWPP-UONOGXRCSA-N 1 1 364.461 4.280 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cccnc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583057223 1086099904 /nfs/dbraw/zinc/09/99/04/1086099904.db2.gz LCMHTCSEVCRSQW-KXBFYZLASA-N 1 1 374.410 4.467 20 30 FIEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154084940 1086292543 /nfs/dbraw/zinc/29/25/43/1086292543.db2.gz VLOOATHDVKZEDA-QHCPKHFHSA-N 1 1 374.463 4.450 20 30 FIEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918717 1086303961 /nfs/dbraw/zinc/30/39/61/1086303961.db2.gz WONMPKLHCQOORN-OYHNWAKOSA-N 1 1 373.431 4.242 20 30 FIEDMO Cc1ccc(/C=C/CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000176519331 1086390766 /nfs/dbraw/zinc/39/07/66/1086390766.db2.gz QXXKZHLYXWMGLO-DUXPYHPUSA-N 1 1 373.500 4.005 20 30 FIEDMO CN(C)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc[nH+]1 ZINC000500442184 1086479177 /nfs/dbraw/zinc/47/91/77/1086479177.db2.gz QDRALHPQSXKCNN-UHFFFAOYSA-N 1 1 374.469 4.423 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000289706329 1086521842 /nfs/dbraw/zinc/52/18/42/1086521842.db2.gz OTDXOMVQLURZRW-GCJKJVERSA-N 1 1 371.488 4.442 20 30 FIEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000105420397 1086550416 /nfs/dbraw/zinc/55/04/16/1086550416.db2.gz DPNBQHMFVOTKSC-GFCCVEGCSA-N 1 1 359.882 4.221 20 30 FIEDMO N#CC(CC[N@H+]1CC[C@]2(C1)CCCOC2)(c1ccccc1)c1ccccc1 ZINC000585756338 1086688036 /nfs/dbraw/zinc/68/80/36/1086688036.db2.gz WDCBEZWFJKCNIM-QHCPKHFHSA-N 1 1 360.501 4.389 20 30 FIEDMO Cc1ccc([NH+]=C([O-])Nc2cccc3c2CC[N@@H+](C[C@H]2CCOC2)C3)cc1 ZINC000329222409 1086773587 /nfs/dbraw/zinc/77/35/87/1086773587.db2.gz WIRAIMGMTNZJFX-QGZVFWFLSA-N 1 1 365.477 4.047 20 30 FIEDMO Cc1ccc(NC([O-])=[NH+]c2cccc3c2CC[N@H+](C[C@H]2CCOC2)C3)cc1 ZINC000329222409 1086773590 /nfs/dbraw/zinc/77/35/90/1086773590.db2.gz WIRAIMGMTNZJFX-QGZVFWFLSA-N 1 1 365.477 4.047 20 30 FIEDMO Cc1ccc(NC([O-])=[NH+]c2cccc3c2CC[N@@H+](C[C@H]2CCOC2)C3)cc1 ZINC000329222409 1086773596 /nfs/dbraw/zinc/77/35/96/1086773596.db2.gz WIRAIMGMTNZJFX-QGZVFWFLSA-N 1 1 365.477 4.047 20 30 FIEDMO N#CCc1ccccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000583622352 1086862830 /nfs/dbraw/zinc/86/28/30/1086862830.db2.gz GEAFEDJUMUDTCX-UHFFFAOYSA-N 1 1 369.468 4.394 20 30 FIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(Br)c1 ZINC000090117702 1086895566 /nfs/dbraw/zinc/89/55/66/1086895566.db2.gz WAYIWDOHXUNFRP-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000157378168 1086912658 /nfs/dbraw/zinc/91/26/58/1086912658.db2.gz CONUCAUAPKESJC-MRXNPFEDSA-N 1 1 357.527 4.130 20 30 FIEDMO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000157378168 1086912663 /nfs/dbraw/zinc/91/26/63/1086912663.db2.gz CONUCAUAPKESJC-MRXNPFEDSA-N 1 1 357.527 4.130 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000052712429 1087063591 /nfs/dbraw/zinc/06/35/91/1087063591.db2.gz DXKSXMGGONCYRV-SJLPKXTDSA-N 1 1 353.491 4.220 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000472310121 1087152143 /nfs/dbraw/zinc/15/21/43/1087152143.db2.gz KDYKZQMOPKDBPL-NHCUHLMSSA-N 1 1 365.477 4.208 20 30 FIEDMO CC(C)(C#N)CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000278722950 1087266682 /nfs/dbraw/zinc/26/66/82/1087266682.db2.gz HMCIZTLVVBNRGU-UHFFFAOYSA-N 1 1 368.308 4.014 20 30 FIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000179093814 1087412334 /nfs/dbraw/zinc/41/23/34/1087412334.db2.gz FQQAGJRCNBBWPL-AWEZNQCLSA-N 1 1 351.397 4.413 20 30 FIEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2c1 ZINC000535068311 1087468840 /nfs/dbraw/zinc/46/88/40/1087468840.db2.gz BFZVVRATDCNVFO-MRXNPFEDSA-N 1 1 373.485 4.195 20 30 FIEDMO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472330746 1087541369 /nfs/dbraw/zinc/54/13/69/1087541369.db2.gz WMJDJAWPDUMTGO-JTSKRJEESA-N 1 1 365.452 4.155 20 30 FIEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472330746 1087541371 /nfs/dbraw/zinc/54/13/71/1087541371.db2.gz WMJDJAWPDUMTGO-JTSKRJEESA-N 1 1 365.452 4.155 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1OC ZINC000685464739 1087576568 /nfs/dbraw/zinc/57/65/68/1087576568.db2.gz NIHCSACTEQVSQE-AZUAARDMSA-N 1 1 359.510 4.289 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187789029 1087634346 /nfs/dbraw/zinc/63/43/46/1087634346.db2.gz ZJXMPPRAJYDCPB-FQEVSTJZSA-N 1 1 358.388 4.013 20 30 FIEDMO C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000664373400 1087729460 /nfs/dbraw/zinc/72/94/60/1087729460.db2.gz GNOAPYMSPIVMOG-AEFFLSMTSA-N 1 1 352.482 4.239 20 30 FIEDMO CC(C)c1ccc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000612094605 1087747516 /nfs/dbraw/zinc/74/75/16/1087747516.db2.gz PQBWYNGTWBMXKI-MRXNPFEDSA-N 1 1 364.493 4.430 20 30 FIEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OCc3cccc(C)c3)cc2)nn1 ZINC000424297437 1087903683 /nfs/dbraw/zinc/90/36/83/1087903683.db2.gz QRTWTLVJGJEDEN-GOSISDBHSA-N 1 1 362.477 4.202 20 30 FIEDMO C=CCC1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCOCC1 ZINC000424607122 1088089650 /nfs/dbraw/zinc/08/96/50/1088089650.db2.gz QSDCXXIIAQWQAN-UHFFFAOYSA-N 1 1 367.493 4.366 20 30 FIEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000505283616 1088322093 /nfs/dbraw/zinc/32/20/93/1088322093.db2.gz PPGRONZAEOKOPC-DEOSSOPVSA-N 1 1 368.484 4.131 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434348312 1088522592 /nfs/dbraw/zinc/52/25/92/1088522592.db2.gz BXFSFIBFWKQCBM-HNNXBMFYSA-N 1 1 367.946 4.116 20 30 FIEDMO FC[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC001140886348 1088618413 /nfs/dbraw/zinc/61/84/13/1088618413.db2.gz VXFNWLVQWIJFLO-NXEZZACHSA-N 1 1 363.248 4.304 20 30 FIEDMO FC[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC001140886348 1088618422 /nfs/dbraw/zinc/61/84/22/1088618422.db2.gz VXFNWLVQWIJFLO-NXEZZACHSA-N 1 1 363.248 4.304 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178582372 1088638945 /nfs/dbraw/zinc/63/89/45/1088638945.db2.gz UIBIXIPQSJCCPT-QGZVFWFLSA-N 1 1 368.525 4.375 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(F)(c4ccccc4)CC3)o2)c1 ZINC000434496481 1088703834 /nfs/dbraw/zinc/70/38/34/1088703834.db2.gz IPRIQMLUSMXXRE-UHFFFAOYSA-N 1 1 362.408 4.069 20 30 FIEDMO CCCCCCCCCCC(=O)N1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001269831882 1088918978 /nfs/dbraw/zinc/91/89/78/1088918978.db2.gz HCWBQGVJIJVPCR-UHFFFAOYSA-N 1 1 365.606 4.003 20 30 FIEDMO C[N@H+](Cc1ccccc1NC(=O)c1ccc(C#N)c(O)c1)C1CCCCC1 ZINC000190049566 1088966147 /nfs/dbraw/zinc/96/61/47/1088966147.db2.gz BWIKXESAEPMORA-UHFFFAOYSA-N 1 1 363.461 4.281 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C#N)c(O)c1)C1CCCCC1 ZINC000190049566 1088966149 /nfs/dbraw/zinc/96/61/49/1088966149.db2.gz BWIKXESAEPMORA-UHFFFAOYSA-N 1 1 363.461 4.281 20 30 FIEDMO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377006407 1088973724 /nfs/dbraw/zinc/97/37/24/1088973724.db2.gz QTSPKGUPXHIXEK-AZUAARDMSA-N 1 1 370.541 4.011 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000376991188 1088973782 /nfs/dbraw/zinc/97/37/82/1088973782.db2.gz CXYKMAWGXXXXFP-SFHVURJKSA-N 1 1 362.562 4.002 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377006409 1088974158 /nfs/dbraw/zinc/97/41/58/1088974158.db2.gz QTSPKGUPXHIXEK-QUCCMNQESA-N 1 1 370.541 4.011 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)Cc1cc(C#N)ccc1F ZINC000434980670 1089169414 /nfs/dbraw/zinc/16/94/14/1089169414.db2.gz GKWGGAYSZNJZOK-UHFFFAOYSA-N 1 1 361.420 4.303 20 30 FIEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)Cc1cc(C#N)ccc1F ZINC000434980670 1089169426 /nfs/dbraw/zinc/16/94/26/1089169426.db2.gz GKWGGAYSZNJZOK-UHFFFAOYSA-N 1 1 361.420 4.303 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434985614 1089187486 /nfs/dbraw/zinc/18/74/86/1089187486.db2.gz CBBBDEONFSNIAD-XDJHFCHBSA-N 1 1 371.488 4.394 20 30 FIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000303028690 1089235685 /nfs/dbraw/zinc/23/56/85/1089235685.db2.gz WSJFYHLUNVODMD-HXUWFJFHSA-N 1 1 365.864 4.302 20 30 FIEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123696 1089305927 /nfs/dbraw/zinc/30/59/27/1089305927.db2.gz ILFPMZROTIPDCX-UHFFFAOYSA-N 1 1 371.444 4.237 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435141292 1089341164 /nfs/dbraw/zinc/34/11/64/1089341164.db2.gz YYVAPASJIUUSOD-QFIPXVFZSA-N 1 1 371.488 4.066 20 30 FIEDMO COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1OCCCC#N ZINC000430136086 1089359347 /nfs/dbraw/zinc/35/93/47/1089359347.db2.gz RTQPDDHGIUVJIA-QGZVFWFLSA-N 1 1 366.461 4.161 20 30 FIEDMO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1OCCCC#N ZINC000430136086 1089359356 /nfs/dbraw/zinc/35/93/56/1089359356.db2.gz RTQPDDHGIUVJIA-QGZVFWFLSA-N 1 1 366.461 4.161 20 30 FIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892973020 1089539279 /nfs/dbraw/zinc/53/92/79/1089539279.db2.gz MLEPGCKAEMLUBT-MRXNPFEDSA-N 1 1 359.813 4.219 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1)C1CC1 ZINC000505684443 1089592411 /nfs/dbraw/zinc/59/24/11/1089592411.db2.gz PAPHUQZCRBFXDP-FQEVSTJZSA-N 1 1 367.880 4.319 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425371141 1089618386 /nfs/dbraw/zinc/61/83/86/1089618386.db2.gz KWCLEVDPQJSQKY-OAQYLSRUSA-N 1 1 354.494 4.150 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1OC ZINC000425377024 1089643778 /nfs/dbraw/zinc/64/37/78/1089643778.db2.gz YYGUWPUJTYTZRG-NRFANRHFSA-N 1 1 357.494 4.041 20 30 FIEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C2 ZINC000377816900 1089837754 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20 30 FIEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000188582618 1090926891 /nfs/dbraw/zinc/92/68/91/1090926891.db2.gz VEEFRDYKXUAMDY-AVRDEDQJSA-N 1 1 352.478 4.141 20 30 FIEDMO CC(=O)c1[nH]c(CC[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc1C ZINC000660240460 1090933291 /nfs/dbraw/zinc/93/32/91/1090933291.db2.gz FFGGEKOIWDEYBG-HNNXBMFYSA-N 1 1 372.472 4.353 20 30 FIEDMO CCCOc1c(Br)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418141434 1091079613 /nfs/dbraw/zinc/07/96/13/1091079613.db2.gz LAHCNHTXQXBTFA-UHFFFAOYSA-N 1 1 367.287 4.030 20 30 FIEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OCc1ccc(F)cc1 ZINC000418145954 1091082266 /nfs/dbraw/zinc/08/22/66/1091082266.db2.gz ZUYRKGYUSSOQRW-UHFFFAOYSA-N 1 1 354.425 4.197 20 30 FIEDMO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000092689625 1091122668 /nfs/dbraw/zinc/12/26/68/1091122668.db2.gz QNMCAODPQDHOMG-STQMWFEESA-N 1 1 353.278 4.179 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000092689625 1091122681 /nfs/dbraw/zinc/12/26/81/1091122681.db2.gz QNMCAODPQDHOMG-STQMWFEESA-N 1 1 353.278 4.179 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860234 1091344700 /nfs/dbraw/zinc/34/47/00/1091344700.db2.gz ZCTMVNBNGDCPJS-NSISKUIASA-N 1 1 358.844 4.284 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860234 1091344708 /nfs/dbraw/zinc/34/47/08/1091344708.db2.gz ZCTMVNBNGDCPJS-NSISKUIASA-N 1 1 358.844 4.284 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511772568 1091657893 /nfs/dbraw/zinc/65/78/93/1091657893.db2.gz MQCAFKMFLCZWGP-FUPPJEDESA-N 1 1 360.501 4.492 20 30 FIEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279372289 1091887148 /nfs/dbraw/zinc/88/71/48/1091887148.db2.gz IZOZNZURWKRETD-HNNXBMFYSA-N 1 1 351.479 4.113 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OCC(F)(F)F)c1 ZINC000512217240 1091921057 /nfs/dbraw/zinc/92/10/57/1091921057.db2.gz DUNLEZDNQLSBFH-UHFFFAOYSA-N 1 1 369.383 4.291 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OCC(F)(F)F)c1 ZINC000512217240 1091921059 /nfs/dbraw/zinc/92/10/59/1091921059.db2.gz DUNLEZDNQLSBFH-UHFFFAOYSA-N 1 1 369.383 4.291 20 30 FIEDMO N#CCC[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC1CC1 ZINC000093091502 1092256899 /nfs/dbraw/zinc/25/68/99/1092256899.db2.gz OJOHZODXVZJHRG-UHFFFAOYSA-N 1 1 371.488 4.119 20 30 FIEDMO N#CCC[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC1CC1 ZINC000093091502 1092256910 /nfs/dbraw/zinc/25/69/10/1092256910.db2.gz OJOHZODXVZJHRG-UHFFFAOYSA-N 1 1 371.488 4.119 20 30 FIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000500608221 1092280156 /nfs/dbraw/zinc/28/01/56/1092280156.db2.gz MRXKJICGDHOMAC-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO N#CCc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000015293883 1092301051 /nfs/dbraw/zinc/30/10/51/1092301051.db2.gz XSHCMHXGLZVKCO-UHFFFAOYSA-N 1 1 355.441 4.070 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c1C#N ZINC000429579944 1092336387 /nfs/dbraw/zinc/33/63/87/1092336387.db2.gz XXIVAIXZQWXCMQ-RDTXWAMCSA-N 1 1 356.514 4.151 20 30 FIEDMO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)sc2ccc(Cl)cc12 ZINC000442091032 1092423689 /nfs/dbraw/zinc/42/36/89/1092423689.db2.gz VZAIFLKTGBNBTF-GOSISDBHSA-N 1 1 369.877 4.051 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)ccc1C#N ZINC000442889022 1092843128 /nfs/dbraw/zinc/84/31/28/1092843128.db2.gz ISVKNHFORCSBFG-INIZCTEOSA-N 1 1 365.408 4.227 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000442895142 1092848647 /nfs/dbraw/zinc/84/86/47/1092848647.db2.gz JCJWOJYMDOYKKF-GUYCJALGSA-N 1 1 361.367 4.186 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901716 1092855699 /nfs/dbraw/zinc/85/56/99/1092855699.db2.gz OUROYDCJHBTCJW-IFXJQAMLSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901716 1092855707 /nfs/dbraw/zinc/85/57/07/1092855707.db2.gz OUROYDCJHBTCJW-IFXJQAMLSA-N 1 1 358.388 4.294 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110440863 1092878888 /nfs/dbraw/zinc/87/88/88/1092878888.db2.gz ZOBSLHUJHLBOGU-SFHVURJKSA-N 1 1 367.518 4.090 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110440863 1092878899 /nfs/dbraw/zinc/87/88/99/1092878899.db2.gz ZOBSLHUJHLBOGU-SFHVURJKSA-N 1 1 367.518 4.090 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(F)c1 ZINC000443013139 1092914751 /nfs/dbraw/zinc/91/47/51/1092914751.db2.gz KGGMKXBTSHKBRF-JOCHJYFZSA-N 1 1 373.431 4.037 20 30 FIEDMO COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000573630181 1092953654 /nfs/dbraw/zinc/95/36/54/1092953654.db2.gz LYOLHHGCMFMZID-DHIUTWEWSA-N 1 1 363.505 4.227 20 30 FIEDMO CCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000439121665 1092968854 /nfs/dbraw/zinc/96/88/54/1092968854.db2.gz ZHDZNYKBHFPNNF-NQIIRXRSSA-N 1 1 361.489 4.164 20 30 FIEDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(OC[C@H]2CCOC2)c1 ZINC000512610434 1092985259 /nfs/dbraw/zinc/98/52/59/1092985259.db2.gz BBWHGYGOEIRPQB-AEFFLSMTSA-N 1 1 368.452 4.272 20 30 FIEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614160151 1093016528 /nfs/dbraw/zinc/01/65/28/1093016528.db2.gz GMFWQOOIMWUUNB-UHFFFAOYSA-N 1 1 352.478 4.445 20 30 FIEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1 ZINC000614167553 1093038604 /nfs/dbraw/zinc/03/86/04/1093038604.db2.gz UIOGDWBOTGOZGL-UHFFFAOYSA-N 1 1 355.432 4.088 20 30 FIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168933 1093039750 /nfs/dbraw/zinc/03/97/50/1093039750.db2.gz JSHIPAGSWZMCGF-CPJLOUKISA-N 1 1 354.519 4.418 20 30 FIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168934 1093039979 /nfs/dbraw/zinc/03/99/79/1093039979.db2.gz JSHIPAGSWZMCGF-IVCQMTBJSA-N 1 1 354.519 4.418 20 30 FIEDMO COc1ccc(C2([NH2+]Cc3ccc(Cl)cc3C#N)CCOCC2)cc1 ZINC000614174281 1093051433 /nfs/dbraw/zinc/05/14/33/1093051433.db2.gz RSSTVEVCPQQNOW-UHFFFAOYSA-N 1 1 356.853 4.016 20 30 FIEDMO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512649473 1093071831 /nfs/dbraw/zinc/07/18/31/1093071831.db2.gz SDXVDQKSRNGNDC-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO Cc1sc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433021921 1093116890 /nfs/dbraw/zinc/11/68/90/1093116890.db2.gz HZMHMFTTZPFIRH-MRXNPFEDSA-N 1 1 365.506 4.415 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000522157330 1093130863 /nfs/dbraw/zinc/13/08/63/1093130863.db2.gz IESVQXQXCUZBPE-KBPBESRZSA-N 1 1 364.461 4.280 20 30 FIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000433048974 1093150709 /nfs/dbraw/zinc/15/07/09/1093150709.db2.gz PFYPNEYJJYZMRI-FQEVSTJZSA-N 1 1 358.445 4.160 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1C ZINC000051231023 1093182326 /nfs/dbraw/zinc/18/23/26/1093182326.db2.gz VOTWYNANOXWXTP-IBGZPJMESA-N 1 1 367.518 4.449 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1C ZINC000051231023 1093182333 /nfs/dbraw/zinc/18/23/33/1093182333.db2.gz VOTWYNANOXWXTP-IBGZPJMESA-N 1 1 367.518 4.449 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443597942 1093311078 /nfs/dbraw/zinc/31/10/78/1093311078.db2.gz GGSANVGIWDUIAQ-MRXNPFEDSA-N 1 1 374.554 4.324 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3nc4ccccc4s3)CC2)c(F)c1 ZINC000512805787 1093371841 /nfs/dbraw/zinc/37/18/41/1093371841.db2.gz MDRXDMUFCFTTHT-UHFFFAOYSA-N 1 1 367.449 4.350 20 30 FIEDMO CC(C)(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000474150324 1093463023 /nfs/dbraw/zinc/46/30/23/1093463023.db2.gz AKWYGGXNQFBARL-UHFFFAOYSA-N 1 1 367.468 4.373 20 30 FIEDMO C[N@H+](Cc1nc2cc(Br)ccc2o1)Cc1cccc(C#N)c1 ZINC000509834891 1093487412 /nfs/dbraw/zinc/48/74/12/1093487412.db2.gz XFBDOSMATAHAGN-UHFFFAOYSA-N 1 1 356.223 4.094 20 30 FIEDMO C[N@@H+](Cc1nc2cc(Br)ccc2o1)Cc1cccc(C#N)c1 ZINC000509834891 1093487418 /nfs/dbraw/zinc/48/74/18/1093487418.db2.gz XFBDOSMATAHAGN-UHFFFAOYSA-N 1 1 356.223 4.094 20 30 FIEDMO C=CCOc1ccc(C[N@H+](CCn2c(C)csc2=O)C(C)(C)C)cc1 ZINC000474160404 1093505871 /nfs/dbraw/zinc/50/58/71/1093505871.db2.gz TZLPCGYTIOISID-UHFFFAOYSA-N 1 1 360.523 4.084 20 30 FIEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000474161602 1093515043 /nfs/dbraw/zinc/51/50/43/1093515043.db2.gz WPZJUTGIMSMNOI-UHFFFAOYSA-N 1 1 353.441 4.327 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305499 1093560571 /nfs/dbraw/zinc/56/05/71/1093560571.db2.gz PQYDEKZCBDNMTD-DLBZAZTESA-N 1 1 357.416 4.184 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308479 1093572955 /nfs/dbraw/zinc/57/29/55/1093572955.db2.gz YEZWRTPWSWVCJT-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433310205 1093576804 /nfs/dbraw/zinc/57/68/04/1093576804.db2.gz GXYHREPZCNMJQF-FQEVSTJZSA-N 1 1 355.482 4.105 20 30 FIEDMO C[NH+](C)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1Cl ZINC000474214307 1093586690 /nfs/dbraw/zinc/58/66/90/1093586690.db2.gz ROOONSHJWGUQNM-YLJYHZDGSA-N 1 1 369.896 4.146 20 30 FIEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(Br)cc1C#N ZINC001141817079 1093598316 /nfs/dbraw/zinc/59/83/16/1093598316.db2.gz WABTXAXJJFMLSY-UHFFFAOYSA-N 1 1 358.283 4.170 20 30 FIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419329946 1093651151 /nfs/dbraw/zinc/65/11/51/1093651151.db2.gz HLOPPXNTKPOIDD-RDJZCZTQSA-N 1 1 359.539 4.387 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000419353835 1093725333 /nfs/dbraw/zinc/72/53/33/1093725333.db2.gz QEYJQZOKKQYXTN-HXUWFJFHSA-N 1 1 365.477 4.295 20 30 FIEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C)ccc1OC(F)F ZINC000614397554 1093815202 /nfs/dbraw/zinc/81/52/02/1093815202.db2.gz DZFZGRHTIITXIQ-UHFFFAOYSA-N 1 1 360.404 4.499 20 30 FIEDMO C[C@@H]1C[C@@H](NC2(C#N)Cc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036251 1093849138 /nfs/dbraw/zinc/84/91/38/1093849138.db2.gz VKECYNKDTLHRPH-BBIADKPPSA-N 1 1 359.517 4.079 20 30 FIEDMO COCCOCc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000576551803 1093949259 /nfs/dbraw/zinc/94/92/59/1093949259.db2.gz OMYNWFQFDQWXSF-PKTZIBPZSA-N 1 1 364.489 4.121 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513386851 1094091825 /nfs/dbraw/zinc/09/18/25/1094091825.db2.gz RBOKJBJGYYWMPJ-UHFFFAOYSA-N 1 1 351.469 4.339 20 30 FIEDMO COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)cc1OCCCC#N ZINC000513701915 1094384677 /nfs/dbraw/zinc/38/46/77/1094384677.db2.gz BIJFQEDXUHJBEI-KRWDZBQOSA-N 1 1 350.462 4.497 20 30 FIEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000054340960 1094424398 /nfs/dbraw/zinc/42/43/98/1094424398.db2.gz BLRHSNRWOWITGP-QGZVFWFLSA-N 1 1 353.441 4.155 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000054340960 1094424406 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Cc1nnc([C@H](C)NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000329544249 1094963868 /nfs/dbraw/zinc/96/38/68/1094963868.db2.gz YSGYILGOOKWGSA-WFASDCNBSA-N 1 1 373.526 4.371 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1C ZINC000501841773 1094980250 /nfs/dbraw/zinc/98/02/50/1094980250.db2.gz KAOOTGGXYQADKQ-UHFFFAOYSA-N 1 1 363.505 4.381 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CCC3CCOCC3)c2)C[C@H](C)O1 ZINC000329620107 1095014478 /nfs/dbraw/zinc/01/44/78/1095014478.db2.gz MONXBYYBPDRSPB-CALCHBBNSA-N 1 1 360.498 4.091 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CCC3CCOCC3)c2)C[C@H](C)O1 ZINC000329620107 1095014494 /nfs/dbraw/zinc/01/44/94/1095014494.db2.gz MONXBYYBPDRSPB-CALCHBBNSA-N 1 1 360.498 4.091 20 30 FIEDMO CCCn1c2ccccc2nc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513726036 1095037241 /nfs/dbraw/zinc/03/72/41/1095037241.db2.gz WHZWAAOXZXNUDL-UHFFFAOYSA-N 1 1 374.488 4.361 20 30 FIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000428311417 1095177482 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N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595620676 1115551289 /nfs/dbraw/zinc/55/12/89/1115551289.db2.gz OKXXRBKINVEJPM-SFHVURJKSA-N 1 1 363.461 4.433 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1Cl ZINC000595612598 1115553414 /nfs/dbraw/zinc/55/34/14/1115553414.db2.gz YHLCQKHZQXGVPV-MELADBBJSA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1Cl ZINC000595612598 1115553416 /nfs/dbraw/zinc/55/34/16/1115553416.db2.gz YHLCQKHZQXGVPV-MELADBBJSA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616127 1115553886 /nfs/dbraw/zinc/55/38/86/1115553886.db2.gz PYYWBYYRPIMLFJ-ZWKOTPCHSA-N 1 1 363.461 4.432 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616127 1115553887 /nfs/dbraw/zinc/55/38/87/1115553887.db2.gz PYYWBYYRPIMLFJ-ZWKOTPCHSA-N 1 1 363.461 4.432 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000595751226 1115561122 /nfs/dbraw/zinc/56/11/22/1115561122.db2.gz DIAZAFOREULSNT-RBUKOAKNSA-N 1 1 374.406 4.175 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595844161 1115563680 /nfs/dbraw/zinc/56/36/80/1115563680.db2.gz BBYBQOYVSJRTON-GASCZTMLSA-N 1 1 355.507 4.010 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595844161 1115563683 /nfs/dbraw/zinc/56/36/83/1115563683.db2.gz BBYBQOYVSJRTON-GASCZTMLSA-N 1 1 355.507 4.010 20 30 FIEDMO COc1cccc(C2([NH2+]Cc3ccc(Br)cc3C#N)CCC2)c1 ZINC000595847100 1115564580 /nfs/dbraw/zinc/56/45/80/1115564580.db2.gz FJUPGKTUYBXRCP-UHFFFAOYSA-N 1 1 371.278 4.498 20 30 FIEDMO C[N@H+]1CC[C@@H](Nc2nc3ncccc3cc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000596178076 1115576292 /nfs/dbraw/zinc/57/62/92/1115576292.db2.gz IBZSZBNYLKNJMG-MSOLQXFVSA-N 1 1 363.852 4.012 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000596483688 1115594581 /nfs/dbraw/zinc/59/45/81/1115594581.db2.gz 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VXQTXAMFNKWUPO-HSZRJFAPSA-N 1 1 371.484 4.122 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000497594082 1122302546 /nfs/dbraw/zinc/30/25/46/1122302546.db2.gz PKELDNKMZRUZBM-CQSZACIVSA-N 1 1 366.852 4.105 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000497594082 1122302552 /nfs/dbraw/zinc/30/25/52/1122302552.db2.gz PKELDNKMZRUZBM-CQSZACIVSA-N 1 1 366.852 4.105 20 30 FIEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594209 1122302983 /nfs/dbraw/zinc/30/29/83/1122302983.db2.gz SEUCWHYXDCRNHN-IRXDYDNUSA-N 1 1 367.468 4.300 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000128747414 1122396043 /nfs/dbraw/zinc/39/60/43/1122396043.db2.gz XQIDCIQRAHTELI-HXUWFJFHSA-N 1 1 366.480 4.220 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000128747414 1122396056 /nfs/dbraw/zinc/39/60/56/1122396056.db2.gz XQIDCIQRAHTELI-HXUWFJFHSA-N 1 1 366.480 4.220 20 30 FIEDMO N#C[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC12CCCC2 ZINC000556120861 1122670558 /nfs/dbraw/zinc/67/05/58/1122670558.db2.gz QFFUYUSWJGRTHK-NQIIRXRSSA-N 1 1 371.912 4.067 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000556205167 1122730246 /nfs/dbraw/zinc/73/02/46/1122730246.db2.gz LTUYYGVAGXYDPX-YVEFUNNKSA-N 1 1 371.282 4.229 20 30 FIEDMO N#Cc1ccc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000556338551 1122820736 /nfs/dbraw/zinc/82/07/36/1122820736.db2.gz ZFXDSYQJHIXENV-GOSISDBHSA-N 1 1 356.466 4.081 20 30 FIEDMO CCOc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1OC(F)F ZINC000130426867 1122844832 /nfs/dbraw/zinc/84/48/32/1122844832.db2.gz JPGPSYQYXOMFMJ-UHFFFAOYSA-N 1 1 352.406 4.252 20 30 FIEDMO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1OC(F)F ZINC000130426867 1122844837 /nfs/dbraw/zinc/84/48/37/1122844837.db2.gz JPGPSYQYXOMFMJ-UHFFFAOYSA-N 1 1 352.406 4.252 20 30 FIEDMO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)s2)ccc1OC(F)F ZINC000130424797 1122845023 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371.525 4.344 20 30 FIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000919938077 1123272779 /nfs/dbraw/zinc/27/27/79/1123272779.db2.gz RKSVOLYFZKMVGA-UHFFFAOYSA-N 1 1 354.494 4.217 20 30 FIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000919939707 1123273892 /nfs/dbraw/zinc/27/38/92/1123273892.db2.gz GSFXAJZGFOKQAA-NRFANRHFSA-N 1 1 353.462 4.093 20 30 FIEDMO C=CCn1c(C)nn(C[N@@H+](CCC)[C@@H]2CCc3ccccc3C2)c1=S ZINC000919951946 1123280068 /nfs/dbraw/zinc/28/00/68/1123280068.db2.gz XEJIFHONHQPFHK-LJQANCHMSA-N 1 1 356.539 4.136 20 30 FIEDMO C=CCn1c(C)nn(C[N@H+](CCC)[C@@H]2CCc3ccccc3C2)c1=S ZINC000919951946 1123280073 /nfs/dbraw/zinc/28/00/73/1123280073.db2.gz XEJIFHONHQPFHK-LJQANCHMSA-N 1 1 356.539 4.136 20 30 FIEDMO CCC1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000920088957 1123338015 /nfs/dbraw/zinc/33/80/15/1123338015.db2.gz DFYRZHJQBQIFSF-VJFUWPCTSA-N 1 1 362.477 4.124 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)c1 ZINC000925478710 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359.473 4.272 20 30 FIEDMO CCOc1ccc(/C=N/C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000921261983 1123605893 /nfs/dbraw/zinc/60/58/93/1123605893.db2.gz XTUQCAUQAOQZLT-SYVPYPDPSA-N 1 1 352.478 4.122 20 30 FIEDMO C=C(C)COCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000134503181 1123644582 /nfs/dbraw/zinc/64/45/82/1123644582.db2.gz NMMBOQLXZRBMJW-UHFFFAOYSA-N 1 1 352.887 4.058 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000134739204 1123666813 /nfs/dbraw/zinc/66/68/13/1123666813.db2.gz UVPCCAUPBQXHDD-QHAWAJNXSA-N 1 1 354.538 4.459 20 30 FIEDMO CCN1CC[NH+](Cc2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC001212256638 1123676005 /nfs/dbraw/zinc/67/60/05/1123676005.db2.gz VSMGVEAGXHPNLT-UHFFFAOYSA-N 1 1 360.505 4.123 20 30 FIEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135162345 1123723078 /nfs/dbraw/zinc/72/30/78/1123723078.db2.gz QSNGPRZSKHWRGL-PKOBYXMFSA-N 1 1 355.526 4.005 20 30 FIEDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccc(CC#N)cc2)c1 ZINC001127559646 1123729534 /nfs/dbraw/zinc/72/95/34/1123729534.db2.gz KSCJXOSKPABMRG-QFIPXVFZSA-N 1 1 362.473 4.159 20 30 FIEDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccc(CC#N)cc2)c1 ZINC001127559646 1123729536 /nfs/dbraw/zinc/72/95/36/1123729536.db2.gz KSCJXOSKPABMRG-QFIPXVFZSA-N 1 1 362.473 4.159 20 30 FIEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000135870717 1123809504 /nfs/dbraw/zinc/80/95/04/1123809504.db2.gz JDXPWRXPCONWDQ-NQIIRXRSSA-N 1 1 356.558 4.252 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000609822881 1123850388 /nfs/dbraw/zinc/85/03/88/1123850388.db2.gz OSKRKYWXMCUXLP-AUUYWEPGSA-N 1 1 371.278 4.455 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000609822881 1123850393 /nfs/dbraw/zinc/85/03/93/1123850393.db2.gz OSKRKYWXMCUXLP-AUUYWEPGSA-N 1 1 371.278 4.455 20 30 FIEDMO CC[N@@H+](CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C ZINC000609929934 1123891868 /nfs/dbraw/zinc/89/18/68/1123891868.db2.gz ONSOJVCQXCPPJU-UHFFFAOYSA-N 1 1 366.465 4.202 20 30 FIEDMO C[C@@H](C[N@@H+](C)Cc1ccnc(C#N)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000615808583 1124124520 /nfs/dbraw/zinc/12/45/20/1124124520.db2.gz KXHWWPLEPKPSGY-LBPRGKRZSA-N 1 1 350.249 4.159 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccccc2)O1 ZINC000245570124 1124124742 /nfs/dbraw/zinc/12/47/42/1124124742.db2.gz WSVDYVRHTWQEMW-GCJKJVERSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccccc2)O1 ZINC000245570124 1124124745 /nfs/dbraw/zinc/12/47/45/1124124745.db2.gz WSVDYVRHTWQEMW-GCJKJVERSA-N 1 1 350.462 4.331 20 30 FIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000763473019 1124209027 /nfs/dbraw/zinc/20/90/27/1124209027.db2.gz LRXSDBYYXXPQIS-MRXNPFEDSA-N 1 1 368.868 4.197 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301291013 1124211644 /nfs/dbraw/zinc/21/16/44/1124211644.db2.gz UJNLWSKAABEFRO-KXBFYZLASA-N 1 1 374.410 4.467 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301304117 1124213672 /nfs/dbraw/zinc/21/36/72/1124213672.db2.gz XBWBIUQWHOWLDM-LPHOPBHVSA-N 1 1 374.410 4.467 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301429969 1124229196 /nfs/dbraw/zinc/22/91/96/1124229196.db2.gz VFIRAMNEQXBBSY-UHFFFAOYSA-N 1 1 370.500 4.455 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000301608056 1124244352 /nfs/dbraw/zinc/24/43/52/1124244352.db2.gz ZSFQPXJZPBHFHS-YOEHRIQHSA-N 1 1 374.410 4.295 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000301611053 1124246684 /nfs/dbraw/zinc/24/66/84/1124246684.db2.gz DCQYVUQEPGBXGF-UHFFFAOYSA-N 1 1 357.339 4.078 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C1CCCC1 ZINC000108145460 1124247336 /nfs/dbraw/zinc/24/73/36/1124247336.db2.gz WSLVYINVXAGTHG-UHFFFAOYSA-N 1 1 356.514 4.295 20 30 FIEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)nc1 ZINC000616152050 1124250631 /nfs/dbraw/zinc/25/06/31/1124250631.db2.gz GZNJUQHHQAZIKZ-UHFFFAOYSA-N 1 1 357.457 4.473 20 30 FIEDMO Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000301695472 1124252721 /nfs/dbraw/zinc/25/27/21/1124252721.db2.gz YNMNFBUPASPCEW-UHFFFAOYSA-N 1 1 374.463 4.266 20 30 FIEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000301695472 1124252725 /nfs/dbraw/zinc/25/27/25/1124252725.db2.gz YNMNFBUPASPCEW-UHFFFAOYSA-N 1 1 374.463 4.266 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)s1 ZINC000180219088 1124265603 /nfs/dbraw/zinc/26/56/03/1124265603.db2.gz JLFJKWRJICQZJZ-GOSISDBHSA-N 1 1 354.500 4.417 20 30 FIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075885892 1124268669 /nfs/dbraw/zinc/26/86/69/1124268669.db2.gz SXJKXSHZNXMBIP-FQEVSTJZSA-N 1 1 360.461 4.370 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000302123705 1124285783 /nfs/dbraw/zinc/28/57/83/1124285783.db2.gz VJJWXDZAYSRKKA-KRWDZBQOSA-N 1 1 353.491 4.146 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000302194515 1124293816 /nfs/dbraw/zinc/29/38/16/1124293816.db2.gz DCLKMPAXVRUHGV-KDOFPFPSSA-N 1 1 356.451 4.023 20 30 FIEDMO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CCCCC1 ZINC001272883438 1124344514 /nfs/dbraw/zinc/34/45/14/1124344514.db2.gz NWZHIHRWQTVEOH-HXUWFJFHSA-N 1 1 354.538 4.494 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246279247 1124433565 /nfs/dbraw/zinc/43/35/65/1124433565.db2.gz SCYDUYFRQPQFTO-BRWVUGGUSA-N 1 1 374.554 4.323 20 30 FIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617219516 1124493959 /nfs/dbraw/zinc/49/39/59/1124493959.db2.gz HVRNHYCYZUXVAQ-ZWNOBZJWSA-N 1 1 361.205 4.484 20 30 FIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617219516 1124493968 /nfs/dbraw/zinc/49/39/68/1124493968.db2.gz HVRNHYCYZUXVAQ-ZWNOBZJWSA-N 1 1 361.205 4.484 20 30 FIEDMO C=CCn1c(C2CCC2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508902634 1124548822 /nfs/dbraw/zinc/54/88/22/1124548822.db2.gz LHFJTFLRDJTIJY-UHFFFAOYSA-N 1 1 371.573 4.070 20 30 FIEDMO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405656 1124564522 /nfs/dbraw/zinc/56/45/22/1124564522.db2.gz WOOICGLIPXFOJF-UHFFFAOYSA-N 1 1 363.461 4.000 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000554889539 1124726232 /nfs/dbraw/zinc/72/62/32/1124726232.db2.gz OWWWGMCCWCQANQ-UHFFFAOYSA-N 1 1 366.358 4.365 20 30 FIEDMO C[C@]([NH3+])(Cc1ccccc1F)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212322511 1124757157 /nfs/dbraw/zinc/75/71/57/1124757157.db2.gz CKEKJSGPARBBCD-QFIPXVFZSA-N 1 1 372.403 4.317 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266977 1124889746 /nfs/dbraw/zinc/88/97/46/1124889746.db2.gz ZYPSKWFCVNPPQH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266977 1124889749 /nfs/dbraw/zinc/88/97/49/1124889749.db2.gz ZYPSKWFCVNPPQH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C1CC1)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000075636844 1124910373 /nfs/dbraw/zinc/91/03/73/1124910373.db2.gz QWPHVBNAHCHDPY-INIZCTEOSA-N 1 1 358.445 4.409 20 30 FIEDMO Cc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2CC2)cc1C ZINC000075766181 1124920951 /nfs/dbraw/zinc/92/09/51/1124920951.db2.gz AURNMROPOIWSCO-UHFFFAOYSA-N 1 1 358.445 4.390 20 30 FIEDMO Cc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2CC2)cc1C ZINC000075766181 1124920953 /nfs/dbraw/zinc/92/09/53/1124920953.db2.gz AURNMROPOIWSCO-UHFFFAOYSA-N 1 1 358.445 4.390 20 30 FIEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532301 1125063971 /nfs/dbraw/zinc/06/39/71/1125063971.db2.gz MPBZHNOPIIZQEY-DLBZAZTESA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)C1=O ZINC000499532301 1125063977 /nfs/dbraw/zinc/06/39/77/1125063977.db2.gz MPBZHNOPIIZQEY-DLBZAZTESA-N 1 1 352.400 4.019 20 30 FIEDMO CCC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000181668873 1125102466 /nfs/dbraw/zinc/10/24/66/1125102466.db2.gz KWYDAPRXKZDKMG-QGZVFWFLSA-N 1 1 361.392 4.116 20 30 FIEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1cccc(F)c1 ZINC000113266493 1125136512 /nfs/dbraw/zinc/13/65/12/1125136512.db2.gz PYTGEXJBORCUJV-UHFFFAOYSA-N 1 1 359.470 4.042 20 30 FIEDMO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cc1 ZINC000077183510 1125140988 /nfs/dbraw/zinc/14/09/88/1125140988.db2.gz VBZLGOPQBSDUKG-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cc1 ZINC000077183510 1125140994 /nfs/dbraw/zinc/14/09/94/1125140994.db2.gz VBZLGOPQBSDUKG-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO Fc1ccc(OCC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618448639 1125183441 /nfs/dbraw/zinc/18/34/41/1125183441.db2.gz AWZAZJFANGBXQI-QWRGUYRKSA-N 1 1 359.285 4.267 20 30 FIEDMO Fc1ccccc1OCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618451555 1125183483 /nfs/dbraw/zinc/18/34/83/1125183483.db2.gz QNJMKHWJSINNDY-GHMZBOCLSA-N 1 1 359.285 4.267 20 30 FIEDMO Fc1ccc(OCC[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618448638 1125183705 /nfs/dbraw/zinc/18/37/05/1125183705.db2.gz AWZAZJFANGBXQI-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO Fc1ccc(OCC[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000618448638 1125183709 /nfs/dbraw/zinc/18/37/09/1125183709.db2.gz AWZAZJFANGBXQI-PHIMTYICSA-N 1 1 359.285 4.267 20 30 FIEDMO NC(CCCc1ccccc1)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000132119600 1125274278 /nfs/dbraw/zinc/27/42/78/1125274278.db2.gz VXJFCERIYDYNDS-UHFFFAOYSA-N 1 1 370.840 4.202 20 30 FIEDMO CCC[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000499614028 1125303202 /nfs/dbraw/zinc/30/32/02/1125303202.db2.gz XXILGTLDKGOHLX-JOCHJYFZSA-N 1 1 369.553 4.073 20 30 FIEDMO CCC[C@@H]1CN(CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000499614028 1125303206 /nfs/dbraw/zinc/30/32/06/1125303206.db2.gz XXILGTLDKGOHLX-JOCHJYFZSA-N 1 1 369.553 4.073 20 30 FIEDMO CCC[C@@H]1CN(CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000499614028 1125303210 /nfs/dbraw/zinc/30/32/10/1125303210.db2.gz XXILGTLDKGOHLX-JOCHJYFZSA-N 1 1 369.553 4.073 20 30 FIEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093478389 1125413391 /nfs/dbraw/zinc/41/33/91/1125413391.db2.gz SMEBGLIQPLIEFN-JOCHJYFZSA-N 1 1 350.462 4.251 20 30 FIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093478389 1125413392 /nfs/dbraw/zinc/41/33/92/1125413392.db2.gz SMEBGLIQPLIEFN-JOCHJYFZSA-N 1 1 350.462 4.251 20 30 FIEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N ZINC000602433607 567979761 /nfs/dbraw/zinc/97/97/61/567979761.db2.gz NGJFRGGMPXMOAW-CQSZACIVSA-N 1 1 355.404 4.294 20 30 FIEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000602590495 567994942 /nfs/dbraw/zinc/99/49/42/567994942.db2.gz VBAPIGSREHTNQW-KRWDZBQOSA-N 1 1 369.534 4.117 20 30 FIEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)n2)cc1 ZINC000602643002 568003476 /nfs/dbraw/zinc/00/34/76/568003476.db2.gz KHDNOPRVRZWYGO-JKSUJKDBSA-N 1 1 368.481 4.049 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481517510 568005529 /nfs/dbraw/zinc/00/55/29/568005529.db2.gz PCFQTOPTXHONGT-IAGOWNOFSA-N 1 1 365.452 4.294 20 30 FIEDMO CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568456125 568039917 /nfs/dbraw/zinc/03/99/17/568039917.db2.gz RJTRARKXTOHSAM-LJQANCHMSA-N 1 1 373.422 4.283 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568456125 568039919 /nfs/dbraw/zinc/03/99/19/568039919.db2.gz RJTRARKXTOHSAM-LJQANCHMSA-N 1 1 373.422 4.283 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568456125 568039920 /nfs/dbraw/zinc/03/99/20/568039920.db2.gz RJTRARKXTOHSAM-LJQANCHMSA-N 1 1 373.422 4.283 20 30 FIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000330302411 568200746 /nfs/dbraw/zinc/20/07/46/568200746.db2.gz OKABQMMWIFIXOU-IBGZPJMESA-N 1 1 357.498 4.165 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000604071469 568210347 /nfs/dbraw/zinc/21/03/47/568210347.db2.gz LWZTURAYWMZOJC-LJQANCHMSA-N 1 1 359.901 4.241 20 30 FIEDMO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)no1 ZINC000481999596 568220055 /nfs/dbraw/zinc/22/00/55/568220055.db2.gz LZAAGPXKMCFCLH-HXUWFJFHSA-N 1 1 353.466 4.419 20 30 FIEDMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330308744 568222199 /nfs/dbraw/zinc/22/21/99/568222199.db2.gz SZNICXTUHGBMKA-IBGZPJMESA-N 1 1 371.525 4.147 20 30 FIEDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000541916143 568231334 /nfs/dbraw/zinc/23/13/34/568231334.db2.gz BYYXZLPWJURQGQ-ACJLOTCBSA-N 1 1 359.267 4.095 20 30 FIEDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000541916145 568231413 /nfs/dbraw/zinc/23/14/13/568231413.db2.gz BYYXZLPWJURQGQ-SCLBCKFNSA-N 1 1 359.267 4.095 20 30 FIEDMO CCc1nc(C)c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)o1 ZINC000291680844 568256670 /nfs/dbraw/zinc/25/66/70/568256670.db2.gz DOZOSVNHKBXGOL-UHFFFAOYSA-N 1 1 361.445 4.286 20 30 FIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000569617800 568410286 /nfs/dbraw/zinc/41/02/86/568410286.db2.gz QVAXTOSOHWKLPH-KRWDZBQOSA-N 1 1 357.479 4.040 20 30 FIEDMO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001164621472 719056914 /nfs/dbraw/zinc/05/69/14/719056914.db2.gz JKIBKQHLIAYBJJ-IEBWSBKVSA-N 1 1 366.896 4.016 20 30 FIEDMO CC(C)c1ccc(C#N)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629100 719059396 /nfs/dbraw/zinc/05/93/96/719059396.db2.gz VPSVFDOOWSBZDM-UNMCSNQZSA-N 1 1 360.505 4.177 20 30 FIEDMO N#Cc1ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312732629 1125469438 /nfs/dbraw/zinc/46/94/38/1125469438.db2.gz SUUXHGKIXDTOPC-SFHVURJKSA-N 1 1 364.449 4.181 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000093684047 1125490768 /nfs/dbraw/zinc/49/07/68/1125490768.db2.gz ODJHHZVLKHHSHL-QFIPXVFZSA-N 1 1 364.489 4.408 20 30 FIEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000093845643 1125533204 /nfs/dbraw/zinc/53/32/04/1125533204.db2.gz NQMUEOJAWQADEO-UHFFFAOYSA-N 1 1 373.504 4.162 20 30 FIEDMO CC(C)(C#N)c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000619295313 1125553338 /nfs/dbraw/zinc/55/33/38/1125553338.db2.gz OKKAPKIUHVWLQC-SZPZYZBQSA-N 1 1 359.517 4.052 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000619656654 1125648848 /nfs/dbraw/zinc/64/88/48/1125648848.db2.gz QFOVQGPOEPMSJH-HXUWFJFHSA-N 1 1 373.500 4.413 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000619755822 1125682368 /nfs/dbraw/zinc/68/23/68/1125682368.db2.gz UYWDTEIDJUTTTF-WKCHPHFGSA-N 1 1 365.908 4.497 20 30 FIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000152951320 1125700842 /nfs/dbraw/zinc/70/08/42/1125700842.db2.gz AEHNMZPVCZXSEI-CYBMUJFWSA-N 1 1 355.295 4.279 20 30 FIEDMO 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C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177036557 1083390793 /nfs/dbraw/zinc/39/07/93/1083390793.db2.gz WOTAIRWGZOWKCK-UHFFFAOYSA-N 1 1 362.901 4.023 20 30 FIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610788103 1083517283 /nfs/dbraw/zinc/51/72/83/1083517283.db2.gz UHNZDPRHWYNRGQ-OAQYLSRUSA-N 1 1 358.445 4.364 20 30 FIEDMO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000612203465 1083549923 /nfs/dbraw/zinc/54/99/23/1083549923.db2.gz AMQJNRTVTBVRDR-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nnc1-c1cccc(Cl)c1 ZINC000535690079 1083581069 /nfs/dbraw/zinc/58/10/69/1083581069.db2.gz OFEKYZXVEHQHGW-UHFFFAOYSA-N 1 1 373.913 4.472 20 30 FIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)ccc1OC ZINC000535781596 1083653663 /nfs/dbraw/zinc/65/36/63/1083653663.db2.gz SMNHDFPHGQSAHQ-UHFFFAOYSA-N 1 1 369.461 4.053 20 30 FIEDMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccccc1C(C)(C)C#N ZINC000610859142 1083768233 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C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000540887892 1083941710 /nfs/dbraw/zinc/94/17/10/1083941710.db2.gz RHVXAMHWNDSKIF-QZTJIDSGSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000540887892 1083941713 /nfs/dbraw/zinc/94/17/13/1083941713.db2.gz RHVXAMHWNDSKIF-QZTJIDSGSA-N 1 1 374.271 4.040 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994657 1083946091 /nfs/dbraw/zinc/94/60/91/1083946091.db2.gz IAEGUFOXQWVSSP-SFHVURJKSA-N 1 1 359.477 4.263 20 30 FIEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993237 1083946734 /nfs/dbraw/zinc/94/67/34/1083946734.db2.gz JTELEESENAPALT-OAHLLOKOSA-N 1 1 355.869 4.070 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000472053494 1084196188 /nfs/dbraw/zinc/19/61/88/1084196188.db2.gz NTGDFSFJTOEZMM-NRFANRHFSA-N 1 1 357.542 4.142 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000177708516 1084243708 /nfs/dbraw/zinc/24/37/08/1084243708.db2.gz ZMGLFINEADNDAP-QFIPXVFZSA-N 1 1 361.420 4.001 20 30 FIEDMO CCC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001167509949 1084335189 /nfs/dbraw/zinc/33/51/89/1084335189.db2.gz RJVMYJYFVMJVNY-VLIAUNLRSA-N 1 1 359.539 4.338 20 30 FIEDMO CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001167509949 1084335196 /nfs/dbraw/zinc/33/51/96/1084335196.db2.gz RJVMYJYFVMJVNY-VLIAUNLRSA-N 1 1 359.539 4.338 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000472113693 1084375799 /nfs/dbraw/zinc/37/57/99/1084375799.db2.gz WKUTZVVMIYHOKL-VXKWHMMOSA-N 1 1 363.505 4.220 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431757444 1084428231 /nfs/dbraw/zinc/42/82/31/1084428231.db2.gz JBRXQUUCEQAJAA-HUUCEWRRSA-N 1 1 374.472 4.172 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC(C)(C)CC2)c1 ZINC001167529419 1084461830 /nfs/dbraw/zinc/46/18/30/1084461830.db2.gz LLCDNVARUJKINV-IBGZPJMESA-N 1 1 355.526 4.451 20 30 FIEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC001167539419 1084493458 /nfs/dbraw/zinc/49/34/58/1084493458.db2.gz MSOHZJAYCJHKHM-INIZCTEOSA-N 1 1 350.469 4.470 20 30 FIEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000551427488 1084648519 /nfs/dbraw/zinc/64/85/19/1084648519.db2.gz LNNVTESJXRGUNZ-OAQYLSRUSA-N 1 1 361.489 4.106 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000173620453 1084659989 /nfs/dbraw/zinc/65/99/89/1084659989.db2.gz PUHRECUKMARUKT-FOIQADDNSA-N 1 1 351.425 4.109 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000431821765 1084684893 /nfs/dbraw/zinc/68/48/93/1084684893.db2.gz LUPYTPXAACCGAR-SVFBPWRDSA-N 1 1 370.541 4.089 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000187756136 1084698712 /nfs/dbraw/zinc/69/87/12/1084698712.db2.gz ITXYTJHRSQXFJP-GTNSWQLSSA-N 1 1 366.358 4.477 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173922410 1084709701 /nfs/dbraw/zinc/70/97/01/1084709701.db2.gz OQBILEPOOVKBPF-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173922410 1084709708 /nfs/dbraw/zinc/70/97/08/1084709708.db2.gz OQBILEPOOVKBPF-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC001167558154 1084797125 /nfs/dbraw/zinc/79/71/25/1084797125.db2.gz HUXHMFBMXCVVRW-NRFANRHFSA-N 1 1 355.526 4.222 20 30 FIEDMO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588146 1084902251 /nfs/dbraw/zinc/90/22/51/1084902251.db2.gz VGAJDNHNHNKXFQ-XLIONFOSSA-N 1 1 351.469 4.260 20 30 FIEDMO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588146 1084902256 /nfs/dbraw/zinc/90/22/56/1084902256.db2.gz VGAJDNHNHNKXFQ-XLIONFOSSA-N 1 1 351.469 4.260 20 30 FIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000127774877 1085083251 /nfs/dbraw/zinc/08/32/51/1085083251.db2.gz TZMFKTNMNICIKA-GOSISDBHSA-N 1 1 369.538 4.274 20 30 FIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000127774877 1085083262 /nfs/dbraw/zinc/08/32/62/1085083262.db2.gz TZMFKTNMNICIKA-GOSISDBHSA-N 1 1 369.538 4.274 20 30 FIEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000135122228 1085108724 /nfs/dbraw/zinc/10/87/24/1085108724.db2.gz PQKWXVZCEFYBJC-UHFFFAOYSA-N 1 1 362.901 4.023 20 30 FIEDMO N#CCCC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000582603453 1085225051 /nfs/dbraw/zinc/22/50/51/1085225051.db2.gz FVMNRLPDRPSCSX-UHFFFAOYSA-N 1 1 364.371 4.271 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187765379 1085510490 /nfs/dbraw/zinc/51/04/90/1085510490.db2.gz HADYDRLGPIPJAK-GOSISDBHSA-N 1 1 352.331 4.089 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000661376401 1085538995 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FIEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661871307 1085879136 /nfs/dbraw/zinc/87/91/36/1085879136.db2.gz SORIZZRSMBMGFY-LJQANCHMSA-N 1 1 374.550 4.184 20 30 FIEDMO C=CCC[C@@H](NC(=O)Cn1c[nH+]cc1C)c1ccc(C(F)(F)F)cc1 ZINC000626235264 1085921801 /nfs/dbraw/zinc/92/18/01/1085921801.db2.gz FQDUXAGTBDXOFM-MRXNPFEDSA-N 1 1 351.372 4.034 20 30 FIEDMO N#Cc1cc(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000709621062 1085973975 /nfs/dbraw/zinc/97/39/75/1085973975.db2.gz KPQMWMAMMVJXKV-INIZCTEOSA-N 1 1 370.478 4.385 20 30 FIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000473164153 1086260293 /nfs/dbraw/zinc/26/02/93/1086260293.db2.gz KZQUJZCPRRWKGR-UHFFFAOYSA-N 1 1 370.403 4.071 20 30 FIEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Br)C12CCC2 ZINC001167664828 1086521115 /nfs/dbraw/zinc/52/11/15/1086521115.db2.gz VFTLFTIRGDMDID-IAGOWNOFSA-N 1 1 363.299 4.100 20 30 FIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C12CCC2 ZINC001167664828 1086521119 /nfs/dbraw/zinc/52/11/19/1086521119.db2.gz VFTLFTIRGDMDID-IAGOWNOFSA-N 1 1 363.299 4.100 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001167820856 1086584211 /nfs/dbraw/zinc/58/42/11/1086584211.db2.gz XXWUADDLWIRDMD-OAHLLOKOSA-N 1 1 365.864 4.328 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001167820856 1086584214 /nfs/dbraw/zinc/58/42/14/1086584214.db2.gz XXWUADDLWIRDMD-OAHLLOKOSA-N 1 1 365.864 4.328 20 30 FIEDMO C[C@H]1Cc2cc(-c3ccc(C[NH2+]Cc4nc(C#N)cs4)cc3)ccc2O1 ZINC000583469851 1086710380 /nfs/dbraw/zinc/71/03/80/1086710380.db2.gz HFHLNFWPBVVGEO-AWEZNQCLSA-N 1 1 361.470 4.295 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246757020 1086953227 /nfs/dbraw/zinc/95/32/27/1086953227.db2.gz QNYKDLIKQPZGBL-BRWVUGGUSA-N 1 1 359.539 4.245 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000472310123 1087152041 /nfs/dbraw/zinc/15/20/41/1087152041.db2.gz KDYKZQMOPKDBPL-SFTDATJTSA-N 1 1 365.477 4.208 20 30 FIEDMO C[N@@H+](CCCc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000052802778 1087168583 /nfs/dbraw/zinc/16/85/83/1087168583.db2.gz YRBARIJTEANTTQ-UHFFFAOYSA-N 1 1 367.518 4.002 20 30 FIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000472322044 1087415402 /nfs/dbraw/zinc/41/54/02/1087415402.db2.gz BBKLVAIJRWAWDO-LJQANCHMSA-N 1 1 370.884 4.106 20 30 FIEDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(C#N)cc4F)CC3)c2c1 ZINC000053073664 1087427489 /nfs/dbraw/zinc/42/74/89/1087427489.db2.gz NIVQGMLFJRTKST-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(C#N)cc4F)CC3)c2c1 ZINC000053073664 1087427492 /nfs/dbraw/zinc/42/74/92/1087427492.db2.gz NIVQGMLFJRTKST-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000685442283 1087568775 /nfs/dbraw/zinc/56/87/75/1087568775.db2.gz SOLHDZMZSZMFEF-UHFFFAOYSA-N 1 1 365.477 4.059 20 30 FIEDMO Cc1c(Cl)cnc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1C#N ZINC000612087674 1087749972 /nfs/dbraw/zinc/74/99/72/1087749972.db2.gz VCEUZPIBGJBSFF-HNNXBMFYSA-N 1 1 354.885 4.016 20 30 FIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@](C)(C#N)C3)c2c1C ZINC000612107656 1087782082 /nfs/dbraw/zinc/78/20/82/1087782082.db2.gz IGBRWHCRWFBAAP-HXUWFJFHSA-N 1 1 369.538 4.034 20 30 FIEDMO C=CCOc1ccc(CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C)cc1 ZINC001269612568 1087868926 /nfs/dbraw/zinc/86/89/26/1087868926.db2.gz YFAXHPJAONQLDY-HXUWFJFHSA-N 1 1 358.526 4.251 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)nn1 ZINC000424294323 1087901838 /nfs/dbraw/zinc/90/18/38/1087901838.db2.gz KOCWYFKRWGWEBD-KRWDZBQOSA-N 1 1 352.404 4.360 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(F)cc1F ZINC000181223930 1088266836 /nfs/dbraw/zinc/26/68/36/1088266836.db2.gz PHDPWOFVOMSHSV-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO CCCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000514173141 1088855257 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C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC)c(OC)c1 ZINC000512380207 1092192543 /nfs/dbraw/zinc/19/25/43/1092192543.db2.gz XTNAGIJVBPXKDI-UHFFFAOYSA-N 1 1 356.422 4.190 20 30 FIEDMO C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1Cc1ccccc1 ZINC000512433929 1092324659 /nfs/dbraw/zinc/32/46/59/1092324659.db2.gz QRTULKTZJRGNHU-LAUBAEHRSA-N 1 1 351.469 4.182 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000521071311 1092457452 /nfs/dbraw/zinc/45/74/52/1092457452.db2.gz WEMPOMJOACAHHA-FQEVSTJZSA-N 1 1 368.546 4.315 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000521071311 1092457462 /nfs/dbraw/zinc/45/74/62/1092457462.db2.gz WEMPOMJOACAHHA-FQEVSTJZSA-N 1 1 368.546 4.315 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)cc1 ZINC000521195722 1092573624 /nfs/dbraw/zinc/57/36/24/1092573624.db2.gz QLRNSEIPJOCRMP-UHFFFAOYSA-N 1 1 353.510 4.023 20 30 FIEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000521291060 1092620814 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20 30 FIEDMO N#CCCC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccccc1 ZINC000433014944 1093103102 /nfs/dbraw/zinc/10/31/02/1093103102.db2.gz UUJHPDZLTVNROV-HXUWFJFHSA-N 1 1 365.868 4.445 20 30 FIEDMO COc1ccc(-c2nnc(C[NH2+][C@H](CCCC#N)c3ccccc3)o2)cc1 ZINC000433017077 1093106266 /nfs/dbraw/zinc/10/62/66/1093106266.db2.gz XAZFQHUKLGBTTH-LJQANCHMSA-N 1 1 362.433 4.270 20 30 FIEDMO C[N@@H+](CCSCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000433025929 1093124699 /nfs/dbraw/zinc/12/46/99/1093124699.db2.gz BYPGPQSZBUBZJL-UHFFFAOYSA-N 1 1 373.909 4.015 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)c1cccc(Cl)c1 ZINC000512717534 1093194077 /nfs/dbraw/zinc/19/40/77/1093194077.db2.gz ZHXUWTRZYJERQX-OAQYLSRUSA-N 1 1 371.912 4.409 20 30 FIEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550524623 1093293719 /nfs/dbraw/zinc/29/37/19/1093293719.db2.gz AGSVCLADFPIZRZ-INIZCTEOSA-N 1 1 367.356 4.493 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443593373 1093294889 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CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000729268122 1093954742 /nfs/dbraw/zinc/95/47/42/1093954742.db2.gz MJLAKYLTODTSFS-UGKGYDQZSA-N 1 1 363.505 4.246 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000729268122 1093954744 /nfs/dbraw/zinc/95/47/44/1093954744.db2.gz MJLAKYLTODTSFS-UGKGYDQZSA-N 1 1 363.505 4.246 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000513382791 1094087490 /nfs/dbraw/zinc/08/74/90/1094087490.db2.gz ZAWWZGPERZUTKB-FQEVSTJZSA-N 1 1 364.445 4.435 20 30 FIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300801 1094665970 /nfs/dbraw/zinc/66/59/70/1094665970.db2.gz KHRQWKRLGSQCSU-UHFFFAOYSA-N 1 1 350.506 4.492 20 30 FIEDMO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329022086 1094713471 /nfs/dbraw/zinc/71/34/71/1094713471.db2.gz IGBXQWJBNZXFPN-KOLCDFICSA-N 1 1 369.252 4.151 20 30 FIEDMO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329022086 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C[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121373185 1107602400 /nfs/dbraw/zinc/60/24/00/1107602400.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000121373185 1107602414 /nfs/dbraw/zinc/60/24/14/1107602414.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000121373185 1107602434 /nfs/dbraw/zinc/60/24/34/1107602434.db2.gz CQPKPUAGSOBFAK-UWJYYQICSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000531343973 1107784402 /nfs/dbraw/zinc/78/44/02/1107784402.db2.gz RHOXGXNYWXQZEX-UZLBHIALSA-N 1 1 358.445 4.061 20 30 FIEDMO CC(C)(C#N)CCCC[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000444647501 1108046624 /nfs/dbraw/zinc/04/66/24/1108046624.db2.gz GZZIOMQXNLTEDN-UHFFFAOYSA-N 1 1 356.539 4.134 20 30 FIEDMO N#CC(CC[N@H+]1CCC[C@@H]2COCC[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000444649350 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359.539 4.245 20 30 FIEDMO C=CC[NH+]1CCC(NCc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531835437 1108217791 /nfs/dbraw/zinc/21/77/91/1108217791.db2.gz QJAONHULKCXMNC-UHFFFAOYSA-N 1 1 366.553 4.218 20 30 FIEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000088536710 1108249325 /nfs/dbraw/zinc/24/93/25/1108249325.db2.gz XQPACYRPWWNWHD-JOCHJYFZSA-N 1 1 359.404 4.015 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)s1 ZINC000127408202 1108353283 /nfs/dbraw/zinc/35/32/83/1108353283.db2.gz FWXOCKWYKXKPCA-AWEZNQCLSA-N 1 1 368.437 4.188 20 30 FIEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000428404256 1108760171 /nfs/dbraw/zinc/76/01/71/1108760171.db2.gz SADKUDUQVKZWHO-UHFFFAOYSA-N 1 1 363.461 4.174 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939827 1109090906 /nfs/dbraw/zinc/09/09/06/1109090906.db2.gz WGTFTZXXJPKZMC-JXFKEZNVSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939827 1109090911 /nfs/dbraw/zinc/09/09/11/1109090911.db2.gz WGTFTZXXJPKZMC-JXFKEZNVSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2c(C#N)nnc3ccccc32)C1 ZINC000524848646 1109178965 /nfs/dbraw/zinc/17/89/65/1109178965.db2.gz IKNBROKUYKFDRK-QGZVFWFLSA-N 1 1 371.488 4.345 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000524908098 1109199185 /nfs/dbraw/zinc/19/91/85/1109199185.db2.gz MXULSXOIOZZBRR-IIBYNOLFSA-N 1 1 368.502 4.124 20 30 FIEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2cn3ccccc3c2C#N)C[C@@H](C)O1 ZINC000446622292 1109284492 /nfs/dbraw/zinc/28/44/92/1109284492.db2.gz DYSVNLCLDZGQLR-QZTJIDSGSA-N 1 1 374.488 4.032 20 30 FIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000446840991 1109360810 /nfs/dbraw/zinc/36/08/10/1109360810.db2.gz KXYLHGOFNAUYMN-HNNXBMFYSA-N 1 1 366.408 4.273 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000525423083 1109384557 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N#Cc1ccc(C2([NH2+]Cc3ncc(Cl)cc3Cl)CCOCC2)cc1 ZINC000528779314 1110110702 /nfs/dbraw/zinc/11/07/02/1110110702.db2.gz VDIDLHIKCYSNMZ-UHFFFAOYSA-N 1 1 362.260 4.056 20 30 FIEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449561161 1110111170 /nfs/dbraw/zinc/11/11/70/1110111170.db2.gz BBULNBMLGOKIDN-KRWDZBQOSA-N 1 1 360.461 4.204 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000026364748 1110244723 /nfs/dbraw/zinc/24/47/23/1110244723.db2.gz UXRLVPJSTFPBIK-RYUDHWBXSA-N 1 1 373.909 4.440 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](Cc2cn(CC3CC3)nn2)C(C)(C)C)cc1 ZINC000450495226 1110303275 /nfs/dbraw/zinc/30/32/75/1110303275.db2.gz SYDRMVARFLNCHN-UHFFFAOYSA-N 1 1 354.498 4.054 20 30 FIEDMO C=CCOc1ccc(C[N@H+](Cc2cn(CC3CC3)nn2)C(C)(C)C)cc1 ZINC000450495226 1110303277 /nfs/dbraw/zinc/30/32/77/1110303277.db2.gz SYDRMVARFLNCHN-UHFFFAOYSA-N 1 1 354.498 4.054 20 30 FIEDMO C=CCCN(C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000466985240 1111178128 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4.412 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000552094986 1111573431 /nfs/dbraw/zinc/57/34/31/1111573431.db2.gz AXJIYOOVPQSYIO-MRXNPFEDSA-N 1 1 373.928 4.328 20 30 FIEDMO N#Cc1c(NC(=O)CC[NH+]2Cc3ccccc3C2)sc2c1CCCCC2 ZINC000552586461 1111752652 /nfs/dbraw/zinc/75/26/52/1111752652.db2.gz HNAYFFFQUZHNCS-UHFFFAOYSA-N 1 1 365.502 4.233 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC(C)(C)CCC#N)cc1 ZINC000478901539 1111913360 /nfs/dbraw/zinc/91/33/60/1111913360.db2.gz MXFJGCBUWIYODT-SFHVURJKSA-N 1 1 370.541 4.190 20 30 FIEDMO Cc1[nH+]ccn1CCCN(C)c1c(Br)cc(Cl)cc1C#N ZINC000553174993 1111921000 /nfs/dbraw/zinc/92/10/00/1111921000.db2.gz OOIIAPZHCJQSHJ-UHFFFAOYSA-N 1 1 367.678 4.006 20 30 FIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c2ccccc21 ZINC000479120674 1111954212 /nfs/dbraw/zinc/95/42/12/1111954212.db2.gz VQEWWPYNTIAKGQ-LJQANCHMSA-N 1 1 357.457 4.055 20 30 FIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c2ccccc21 ZINC000479120674 1111954214 /nfs/dbraw/zinc/95/42/14/1111954214.db2.gz VQEWWPYNTIAKGQ-LJQANCHMSA-N 1 1 357.457 4.055 20 30 FIEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553688332 1112056706 /nfs/dbraw/zinc/05/67/06/1112056706.db2.gz FSYJDQQGSJBVRU-DENIHFKCSA-N 1 1 355.526 4.039 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984137 1112152314 /nfs/dbraw/zinc/15/23/14/1112152314.db2.gz CVOMBCUOLSMJLN-GOSISDBHSA-N 1 1 360.461 4.285 20 30 FIEDMO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984137 1112152317 /nfs/dbraw/zinc/15/23/17/1112152317.db2.gz CVOMBCUOLSMJLN-GOSISDBHSA-N 1 1 360.461 4.285 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000553984137 1112152318 /nfs/dbraw/zinc/15/23/18/1112152318.db2.gz CVOMBCUOLSMJLN-GOSISDBHSA-N 1 1 360.461 4.285 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000554181317 1112235882 /nfs/dbraw/zinc/23/58/82/1112235882.db2.gz VAXLEQJFFCRLOT-UHFFFAOYSA-N 1 1 358.530 4.398 20 30 FIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262650 1112270797 /nfs/dbraw/zinc/27/07/97/1112270797.db2.gz CFZCZEXGQRWVTG-DNVCBOLYSA-N 1 1 360.379 4.415 20 30 FIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000554262652 1112271317 /nfs/dbraw/zinc/27/13/17/1112271317.db2.gz CFZCZEXGQRWVTG-HNAYVOBHSA-N 1 1 360.379 4.415 20 30 FIEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000554841131 1112517876 /nfs/dbraw/zinc/51/78/76/1112517876.db2.gz RZBFFFIAMOZIEH-WOJBJXKFSA-N 1 1 373.928 4.014 20 30 FIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1I ZINC000480785642 1112606393 /nfs/dbraw/zinc/60/63/93/1112606393.db2.gz MDKNMKDHKYDVEX-GFCCVEGCSA-N 1 1 362.214 4.014 20 30 FIEDMO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000481229109 1112811585 /nfs/dbraw/zinc/81/15/85/1112811585.db2.gz AZCDGPWLSNNDRD-UHFFFAOYSA-N 1 1 369.534 4.063 20 30 FIEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000481229109 1112811594 /nfs/dbraw/zinc/81/15/94/1112811594.db2.gz AZCDGPWLSNNDRD-UHFFFAOYSA-N 1 1 369.534 4.063 20 30 FIEDMO N#CCC[C@H](C#N)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000555541867 1112917912 /nfs/dbraw/zinc/91/79/12/1112917912.db2.gz CCJYBBRAYHTRQB-CXAGYDPISA-N 1 1 364.262 4.463 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600199069 1112923147 /nfs/dbraw/zinc/92/31/47/1112923147.db2.gz ZPHAXXFPSDBNEO-XLIONFOSSA-N 1 1 372.509 4.169 20 30 FIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1F ZINC000600214270 1112930364 /nfs/dbraw/zinc/93/03/64/1112930364.db2.gz OGQCILJCXRYKGK-GOSISDBHSA-N 1 1 350.437 4.379 20 30 FIEDMO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C(C)(C)C2 ZINC000555679084 1112965721 /nfs/dbraw/zinc/96/57/21/1112965721.db2.gz JFYLBUUAJJUFSO-UHFFFAOYSA-N 1 1 358.445 4.254 20 30 FIEDMO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C(C)(C)C2 ZINC000555679084 1112965722 /nfs/dbraw/zinc/96/57/22/1112965722.db2.gz JFYLBUUAJJUFSO-UHFFFAOYSA-N 1 1 358.445 4.254 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000481582154 1112989230 /nfs/dbraw/zinc/98/92/30/1112989230.db2.gz QNDWICZBLRXDHJ-QRWLVFNGSA-N 1 1 358.432 4.185 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1 ZINC000481591685 1112990549 /nfs/dbraw/zinc/99/05/49/1112990549.db2.gz IKZKPUCQJDIORG-BZSBBKHJSA-N 1 1 374.475 4.257 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000481614690 1112993381 /nfs/dbraw/zinc/99/33/81/1112993381.db2.gz VRLYOLQLJONEPI-GPINWOSQSA-N 1 1 350.453 4.065 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000481622959 1112999279 /nfs/dbraw/zinc/99/92/79/1112999279.db2.gz MZSRDMWRYJWPFX-NRFANRHFSA-N 1 1 358.432 4.220 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O)c1ccc(F)c(F)c1 ZINC000481626897 1113003648 /nfs/dbraw/zinc/00/36/48/1113003648.db2.gz YSCOVLRDYKLMDU-RNODOKPDSA-N 1 1 372.415 4.401 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000483110066 1113444739 /nfs/dbraw/zinc/44/47/39/1113444739.db2.gz NHGOQKAEPAWPRO-MRXNPFEDSA-N 1 1 371.843 4.169 20 30 FIEDMO Cc1ccc(C[N@@H+](CCO)CCC(C#N)(c2ccccc2)c2ccccc2)o1 ZINC000483194623 1113461318 /nfs/dbraw/zinc/46/13/18/1113461318.db2.gz INNHDEHJQLVMBH-UHFFFAOYSA-N 1 1 374.484 4.282 20 30 FIEDMO CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210158 1113466106 /nfs/dbraw/zinc/46/61/06/1113466106.db2.gz LJULLARGFSUMLG-IBGZPJMESA-N 1 1 370.456 4.104 20 30 FIEDMO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210158 1113466110 /nfs/dbraw/zinc/46/61/10/1113466110.db2.gz LJULLARGFSUMLG-IBGZPJMESA-N 1 1 370.456 4.104 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210158 1113466113 /nfs/dbraw/zinc/46/61/13/1113466113.db2.gz LJULLARGFSUMLG-IBGZPJMESA-N 1 1 370.456 4.104 20 30 FIEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1F ZINC000483265991 1113476331 /nfs/dbraw/zinc/47/63/31/1113476331.db2.gz HHMKHPALTONCPJ-HNNXBMFYSA-N 1 1 372.749 4.193 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000483296187 1113482692 /nfs/dbraw/zinc/48/26/92/1113482692.db2.gz MKQVDZQYWFMWEV-UHFFFAOYSA-N 1 1 354.454 4.023 20 30 FIEDMO C=CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000483296187 1113482695 /nfs/dbraw/zinc/48/26/95/1113482695.db2.gz MKQVDZQYWFMWEV-UHFFFAOYSA-N 1 1 354.454 4.023 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486789299 1113645708 /nfs/dbraw/zinc/64/57/08/1113645708.db2.gz RGACDQOSLFNXHB-SFHVURJKSA-N 1 1 353.491 4.046 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486789299 1113645712 /nfs/dbraw/zinc/64/57/12/1113645712.db2.gz RGACDQOSLFNXHB-SFHVURJKSA-N 1 1 353.491 4.046 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643492 1113655671 /nfs/dbraw/zinc/65/56/71/1113655671.db2.gz VNRUVKPEHOSEOG-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643492 1113655672 /nfs/dbraw/zinc/65/56/72/1113655672.db2.gz VNRUVKPEHOSEOG-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C=CCCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486826452 1113657201 /nfs/dbraw/zinc/65/72/01/1113657201.db2.gz WHBLGAPULKUHQX-YRISNDGFSA-N 1 1 352.482 4.230 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(Cl)ccc1Cl ZINC000488125635 1113857897 /nfs/dbraw/zinc/85/78/97/1113857897.db2.gz GEJUIRYJZUDHKH-OLZOCXBDSA-N 1 1 368.308 4.375 20 30 FIEDMO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000488131460 1113863387 /nfs/dbraw/zinc/86/33/87/1113863387.db2.gz GOPSJFLERIYTLJ-HXUWFJFHSA-N 1 1 373.456 4.007 20 30 FIEDMO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000488131460 1113863391 /nfs/dbraw/zinc/86/33/91/1113863391.db2.gz GOPSJFLERIYTLJ-HXUWFJFHSA-N 1 1 373.456 4.007 20 30 FIEDMO C[C@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)[N@@H+](C)Cc1ccccc1 ZINC000488208657 1113878549 /nfs/dbraw/zinc/87/85/49/1113878549.db2.gz GMWQIISXOBDHAK-CQSZACIVSA-N 1 1 366.415 4.317 20 30 FIEDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488298370 1113903620 /nfs/dbraw/zinc/90/36/20/1113903620.db2.gz WTSXDJDHTMATEK-MRXNPFEDSA-N 1 1 373.497 4.087 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1Cl ZINC000028852662 1114078731 /nfs/dbraw/zinc/07/87/31/1114078731.db2.gz MFLLPUFSFSUCPT-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)cc1Cl ZINC000028896928 1114087887 /nfs/dbraw/zinc/08/78/87/1114087887.db2.gz JCAPHNPNXZDVEE-MRXNPFEDSA-N 1 1 359.882 4.439 20 30 FIEDMO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000570439974 1114091549 /nfs/dbraw/zinc/09/15/49/1114091549.db2.gz OPUZHGKLNBWRIV-HZPDHXFCSA-N 1 1 358.445 4.441 20 30 FIEDMO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000570439973 1114091627 /nfs/dbraw/zinc/09/16/27/1114091627.db2.gz OPUZHGKLNBWRIV-HOTGVXAUSA-N 1 1 358.445 4.441 20 30 FIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000490018312 1114207951 /nfs/dbraw/zinc/20/79/51/1114207951.db2.gz PRLGONIFYPGRHN-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000490057036 1114210970 /nfs/dbraw/zinc/21/09/70/1114210970.db2.gz SFHZDBXJMCJKQK-OXJNMPFZSA-N 1 1 358.445 4.295 20 30 FIEDMO CCC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490066974 1114212516 /nfs/dbraw/zinc/21/25/16/1114212516.db2.gz MUBYOIRRWGZKNS-QGZVFWFLSA-N 1 1 365.477 4.115 20 30 FIEDMO CCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490066974 1114212522 /nfs/dbraw/zinc/21/25/22/1114212522.db2.gz MUBYOIRRWGZKNS-QGZVFWFLSA-N 1 1 365.477 4.115 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490548616 1114299391 /nfs/dbraw/zinc/29/93/91/1114299391.db2.gz UCWQZOVHUMBWRV-HSZRJFAPSA-N 1 1 356.473 4.122 20 30 FIEDMO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c2nccn21 ZINC000571254486 1114450204 /nfs/dbraw/zinc/45/02/04/1114450204.db2.gz WRGZWVJCWZNKJI-HRAATJIYSA-N 1 1 358.445 4.129 20 30 FIEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c2nccn21 ZINC000571254488 1114450293 /nfs/dbraw/zinc/45/02/93/1114450293.db2.gz WRGZWVJCWZNKJI-IIBYNOLFSA-N 1 1 358.445 4.129 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000044898097 1114469909 /nfs/dbraw/zinc/46/99/09/1114469909.db2.gz HPZYXTNZLZFICL-UHFFFAOYSA-N 1 1 367.518 4.276 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000044898097 1114469914 /nfs/dbraw/zinc/46/99/14/1114469914.db2.gz HPZYXTNZLZFICL-UHFFFAOYSA-N 1 1 367.518 4.276 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccnn3C3CCCC3)CC2)c(F)c1 ZINC000571987228 1114564833 /nfs/dbraw/zinc/56/48/33/1114564833.db2.gz QZWMVFJKLQKSDH-UHFFFAOYSA-N 1 1 368.456 4.052 20 30 FIEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCOCc1ccc(C#N)cc1 ZINC000588980806 1114684784 /nfs/dbraw/zinc/68/47/84/1114684784.db2.gz JBVLGJTVDNCJOK-UHFFFAOYSA-N 1 1 372.390 4.077 20 30 FIEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000588996089 1114686051 /nfs/dbraw/zinc/68/60/51/1114686051.db2.gz RNOCFTJJWCLKAR-JKSUJKDBSA-N 1 1 362.543 4.323 20 30 FIEDMO N#CCCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000590257807 1114912176 /nfs/dbraw/zinc/91/21/76/1114912176.db2.gz FGHDRKAKDQDQOH-RTBURBONSA-N 1 1 372.465 4.069 20 30 FIEDMO N#Cc1nc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)sc1Cl ZINC000590571636 1114949863 /nfs/dbraw/zinc/94/98/63/1114949863.db2.gz GFZUVJFXHZUPDY-UHFFFAOYSA-N 1 1 367.305 4.034 20 30 FIEDMO N#Cc1nc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)sc1Cl ZINC000590571636 1114949866 /nfs/dbraw/zinc/94/98/66/1114949866.db2.gz GFZUVJFXHZUPDY-UHFFFAOYSA-N 1 1 367.305 4.034 20 30 FIEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000573168450 1115066492 /nfs/dbraw/zinc/06/64/92/1115066492.db2.gz VYANKONZRQXXKT-MRXNPFEDSA-N 1 1 356.388 4.288 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000573168450 1115066494 /nfs/dbraw/zinc/06/64/94/1115066494.db2.gz VYANKONZRQXXKT-MRXNPFEDSA-N 1 1 356.388 4.288 20 30 FIEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000591660514 1115116397 /nfs/dbraw/zinc/11/63/97/1115116397.db2.gz MTJPVPPHYUNJGA-JGVFFNPUSA-N 1 1 365.168 4.177 20 30 FIEDMO COc1ccc(C[N@H+](Cc2ccncc2C#N)C2CCCCC2)cc1OC ZINC000592074694 1115202225 /nfs/dbraw/zinc/20/22/25/1115202225.db2.gz ZERQPZQKGLZVHC-UHFFFAOYSA-N 1 1 365.477 4.305 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2ccncc2C#N)C2CCCCC2)cc1OC ZINC000592074694 1115202226 /nfs/dbraw/zinc/20/22/26/1115202226.db2.gz ZERQPZQKGLZVHC-UHFFFAOYSA-N 1 1 365.477 4.305 20 30 FIEDMO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1ccncc1C#N ZINC000592070308 1115202248 /nfs/dbraw/zinc/20/22/48/1115202248.db2.gz JZOZHROBVIEWRR-UHFFFAOYSA-N 1 1 359.477 4.188 20 30 FIEDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1ccncc1C#N ZINC000592070308 1115202251 /nfs/dbraw/zinc/20/22/51/1115202251.db2.gz JZOZHROBVIEWRR-UHFFFAOYSA-N 1 1 359.477 4.188 20 30 FIEDMO N#Cc1cnccc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000592073924 1115202275 /nfs/dbraw/zinc/20/22/75/1115202275.db2.gz SMBQGLGGEFWYNS-UHFFFAOYSA-N 1 1 352.825 4.127 20 30 FIEDMO COCC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000592121030 1115203938 /nfs/dbraw/zinc/20/39/38/1115203938.db2.gz MLTWVCHGPLCNST-QGZVFWFLSA-N 1 1 350.249 4.127 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000592187102 1115207179 /nfs/dbraw/zinc/20/71/79/1115207179.db2.gz KHFDIBVCBQFHPU-QHCPKHFHSA-N 1 1 371.484 4.327 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000592187102 1115207181 /nfs/dbraw/zinc/20/71/81/1115207181.db2.gz KHFDIBVCBQFHPU-QHCPKHFHSA-N 1 1 371.484 4.327 20 30 FIEDMO CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CC[N@@H+](C)C1 ZINC000592229083 1115210007 /nfs/dbraw/zinc/21/00/07/1115210007.db2.gz IUSXDDNXOKBZIU-HZPDHXFCSA-N 1 1 360.527 4.029 20 30 FIEDMO CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CC[N@@H+](C)C1 ZINC000592229081 1115210086 /nfs/dbraw/zinc/21/00/86/1115210086.db2.gz IUSXDDNXOKBZIU-CVEARBPZSA-N 1 1 360.527 4.029 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000592761989 1115263889 /nfs/dbraw/zinc/26/38/89/1115263889.db2.gz DYYDWLKLSBHUML-MAUKXSAKSA-N 1 1 352.482 4.075 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000592762305 1115264058 /nfs/dbraw/zinc/26/40/58/1115264058.db2.gz IXZPEZLGJSRWQC-CABCVRRESA-N 1 1 356.495 4.287 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000592763247 1115264368 /nfs/dbraw/zinc/26/43/68/1115264368.db2.gz RVCDWMSOVZAKDR-CABCVRRESA-N 1 1 356.495 4.430 20 30 FIEDMO N#Cc1cnn2cc(C[N@H+]3CCCCC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000592500385 1115331511 /nfs/dbraw/zinc/33/15/11/1115331511.db2.gz VUOYQLQTHVWLTQ-LJQANCHMSA-N 1 1 365.868 4.372 20 30 FIEDMO N#Cc1cnn2cc(C[N@@H+]3CCCCC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000592500385 1115331514 /nfs/dbraw/zinc/33/15/14/1115331514.db2.gz VUOYQLQTHVWLTQ-LJQANCHMSA-N 1 1 365.868 4.372 20 30 FIEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000593944050 1115354920 /nfs/dbraw/zinc/35/49/20/1115354920.db2.gz ROQDACABUUAVKX-LJQANCHMSA-N 1 1 362.433 4.399 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594070680 1115389955 /nfs/dbraw/zinc/38/99/55/1115389955.db2.gz MUFFKOIRHGPSSV-NUJGCVRESA-N 1 1 372.538 4.077 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)c1C ZINC000594534252 1115460993 /nfs/dbraw/zinc/46/09/93/1115460993.db2.gz KLMSSRTVYZERTN-RBUKOAKNSA-N 1 1 361.449 4.049 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc(-c3cc4ccccc4n3CC#N)n2)c1C ZINC000594533568 1115461030 /nfs/dbraw/zinc/46/10/30/1115461030.db2.gz CEMHKVZKKCNWNS-UHFFFAOYSA-N 1 1 374.448 4.051 20 30 FIEDMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000594606231 1115470380 /nfs/dbraw/zinc/47/03/80/1115470380.db2.gz IOPSQHXWYXQKAH-UHFFFAOYSA-N 1 1 373.298 4.117 20 30 FIEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942701 1115501461 /nfs/dbraw/zinc/50/14/61/1115501461.db2.gz ZIZHRIZWGDSUDL-AUSIDOKSSA-N 1 1 359.517 4.242 20 30 FIEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942703 1115501745 /nfs/dbraw/zinc/50/17/45/1115501745.db2.gz ZIZHRIZWGDSUDL-WMZHIEFXSA-N 1 1 359.517 4.242 20 30 FIEDMO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594942388 1115501822 /nfs/dbraw/zinc/50/18/22/1115501822.db2.gz HMJSLTAIBKPXMA-INIZCTEOSA-N 1 1 357.461 4.393 20 30 FIEDMO N#Cc1ccc(C[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C2CC2)cc1 ZINC000595297363 1115521587 /nfs/dbraw/zinc/52/15/87/1115521587.db2.gz SBYFIPPRHBWNCQ-FQEVSTJZSA-N 1 1 363.486 4.026 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613394 1115553460 /nfs/dbraw/zinc/55/34/60/1115553460.db2.gz CJOYTWCUTVOBRC-ICSRJNTNSA-N 1 1 361.489 4.230 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613394 1115553463 /nfs/dbraw/zinc/55/34/63/1115553463.db2.gz CJOYTWCUTVOBRC-ICSRJNTNSA-N 1 1 361.489 4.230 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613393 1115553494 /nfs/dbraw/zinc/55/34/94/1115553494.db2.gz CJOYTWCUTVOBRC-AZUAARDMSA-N 1 1 361.489 4.230 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613393 1115553496 /nfs/dbraw/zinc/55/34/96/1115553496.db2.gz CJOYTWCUTVOBRC-AZUAARDMSA-N 1 1 361.489 4.230 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000595615841 1115553552 /nfs/dbraw/zinc/55/35/52/1115553552.db2.gz ODWZQVBPUKTPMV-SFHVURJKSA-N 1 1 363.461 4.433 20 30 FIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612595 1115553567 /nfs/dbraw/zinc/55/35/67/1115553567.db2.gz YHLCQKHZQXGVPV-BFHYXJOUSA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612595 1115553571 /nfs/dbraw/zinc/55/35/71/1115553571.db2.gz YHLCQKHZQXGVPV-BFHYXJOUSA-N 1 1 368.308 4.185 20 30 FIEDMO CC(C)([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(C#N)c1 ZINC000595640603 1115554533 /nfs/dbraw/zinc/55/45/33/1115554533.db2.gz QZEPLGVWFFVRHU-UHFFFAOYSA-N 1 1 356.473 4.258 20 30 FIEDMO N#CCCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000595782346 1115563061 /nfs/dbraw/zinc/56/30/61/1115563061.db2.gz YMUAMTNYCJXNLS-TZIWHRDSSA-N 1 1 368.525 4.128 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(C(F)(F)F)c1 ZINC000595786275 1115563459 /nfs/dbraw/zinc/56/34/59/1115563459.db2.gz HIUWKGBWNTYZDV-SJLPKXTDSA-N 1 1 352.400 4.358 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785692 1115563598 /nfs/dbraw/zinc/56/35/98/1115563598.db2.gz FYZQKGKDQUXHKW-YJBOKZPZSA-N 1 1 363.299 4.102 20 30 FIEDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(C#N)c1[N+](=O)[O-] ZINC000596146750 1115575677 /nfs/dbraw/zinc/57/56/77/1115575677.db2.gz PPXFQTVVTCMXKF-LIRRHRJNSA-N 1 1 370.478 4.331 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213562 1115578870 /nfs/dbraw/zinc/57/88/70/1115578870.db2.gz WKZZDFRKWBGISS-HNNXBMFYSA-N 1 1 353.857 4.065 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000596639717 1115606430 /nfs/dbraw/zinc/60/64/30/1115606430.db2.gz SSEQTELAXKZJJG-NRFANRHFSA-N 1 1 354.498 4.219 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596731221 1115610272 /nfs/dbraw/zinc/61/02/72/1115610272.db2.gz AJLAPHWOCOIDFX-HUUCEWRRSA-N 1 1 360.527 4.075 20 30 FIEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000596734914 1115611111 /nfs/dbraw/zinc/61/11/11/1115611111.db2.gz VNGQRGZYGGBXGG-OAHLLOKOSA-N 1 1 362.543 4.180 20 30 FIEDMO CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CC[N@@H+](CC)C1 ZINC000596735014 1115611191 /nfs/dbraw/zinc/61/11/91/1115611191.db2.gz KGQPGBATNQGAJS-HZPDHXFCSA-N 1 1 360.527 4.029 20 30 FIEDMO C[NH+](C)Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)nc1 ZINC001168410228 1115616497 /nfs/dbraw/zinc/61/64/97/1115616497.db2.gz GAGLDMMPAWSRCR-UHFFFAOYSA-N 1 1 355.441 4.320 20 30 FIEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000761204070 1115624339 /nfs/dbraw/zinc/62/43/39/1115624339.db2.gz OGECYPWGZNXRPZ-QZTJIDSGSA-N 1 1 356.853 4.326 20 30 FIEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000761204070 1115624341 /nfs/dbraw/zinc/62/43/41/1115624341.db2.gz OGECYPWGZNXRPZ-QZTJIDSGSA-N 1 1 356.853 4.326 20 30 FIEDMO C[NH+](C)C1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000596878248 1115625627 /nfs/dbraw/zinc/62/56/27/1115625627.db2.gz CDMKTLXHKUMADF-UHFFFAOYSA-N 1 1 355.825 4.037 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596979734 1115631193 /nfs/dbraw/zinc/63/11/93/1115631193.db2.gz MRBGACSFYGVZHX-JOCHJYFZSA-N 1 1 350.462 4.137 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995053 1115634299 /nfs/dbraw/zinc/63/42/99/1115634299.db2.gz FYUJTOFHCTYPCN-TZIWHRDSSA-N 1 1 351.538 4.328 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597027902 1115635286 /nfs/dbraw/zinc/63/52/86/1115635286.db2.gz SWXZBXGYFKZDNI-ZLNRFVROSA-N 1 1 362.473 4.126 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597027902 1115635287 /nfs/dbraw/zinc/63/52/87/1115635287.db2.gz SWXZBXGYFKZDNI-ZLNRFVROSA-N 1 1 362.473 4.126 20 30 FIEDMO N#CC1(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCCCC1 ZINC000597061562 1115637172 /nfs/dbraw/zinc/63/71/72/1115637172.db2.gz OXLDJEVXNFFJFQ-UHFFFAOYSA-N 1 1 367.537 4.018 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cc2)CC1 ZINC000597083058 1115639479 /nfs/dbraw/zinc/63/94/79/1115639479.db2.gz QUEXKNUANVXYDU-QGZVFWFLSA-N 1 1 374.410 4.294 20 30 FIEDMO CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469283 1115645311 /nfs/dbraw/zinc/64/53/11/1115645311.db2.gz LVRGUEIZIVUUKD-SFHVURJKSA-N 1 1 361.489 4.132 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597178492 1115646589 /nfs/dbraw/zinc/64/65/89/1115646589.db2.gz YQNWWEIZVURXIK-HNNXBMFYSA-N 1 1 362.399 4.076 20 30 FIEDMO C[C@@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000597358400 1115661029 /nfs/dbraw/zinc/66/10/29/1115661029.db2.gz LXGNIPHOLBRGHD-UYAOXDASSA-N 1 1 353.510 4.020 20 30 FIEDMO CC(C)c1nc(C#N)c(N=NC2C[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000761260264 1115705920 /nfs/dbraw/zinc/70/59/20/1115705920.db2.gz DWJIZZTZMHHNCQ-UHFFFAOYSA-N 1 1 351.454 4.122 20 30 FIEDMO COCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000598589782 1115738634 /nfs/dbraw/zinc/73/86/34/1115738634.db2.gz JNDMAYSTQUYWHG-PBHICJAKSA-N 1 1 372.431 4.016 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](c1ccccc1)C2 ZINC000598593366 1115738974 /nfs/dbraw/zinc/73/89/74/1115738974.db2.gz RMLCAWJYJKADPU-UNMCSNQZSA-N 1 1 364.489 4.095 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](c1ccccc1)C2 ZINC000598593364 1115739340 /nfs/dbraw/zinc/73/93/40/1115739340.db2.gz RMLCAWJYJKADPU-IRLDBZIGSA-N 1 1 364.489 4.095 20 30 FIEDMO CCCC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598641332 1115741584 /nfs/dbraw/zinc/74/15/84/1115741584.db2.gz RMLUSNNKPVHBNI-OAQYLSRUSA-N 1 1 355.526 4.055 20 30 FIEDMO CCCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598641332 1115741588 /nfs/dbraw/zinc/74/15/88/1115741588.db2.gz RMLUSNNKPVHBNI-OAQYLSRUSA-N 1 1 355.526 4.055 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2ccnn2CCc2ccccc2)C2CC2)cc1 ZINC000598679807 1115744525 /nfs/dbraw/zinc/74/45/25/1115744525.db2.gz ZSFDZEYLHLGMOG-UHFFFAOYSA-N 1 1 356.473 4.162 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccnn2CCc2ccccc2)C2CC2)cc1 ZINC000598679807 1115744528 /nfs/dbraw/zinc/74/45/28/1115744528.db2.gz ZSFDZEYLHLGMOG-UHFFFAOYSA-N 1 1 356.473 4.162 20 30 FIEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000598703159 1115745913 /nfs/dbraw/zinc/74/59/13/1115745913.db2.gz QCMZKHUGCAVNDL-ASPXRTSYSA-N 1 1 359.539 4.204 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000061001625 1115747485 /nfs/dbraw/zinc/74/74/85/1115747485.db2.gz BZGKJMMBKBPZFV-MRXNPFEDSA-N 1 1 369.896 4.301 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2)c1 ZINC000593695414 1115799141 /nfs/dbraw/zinc/79/91/41/1115799141.db2.gz OKRAXQIEPZNYGY-FQEVSTJZSA-N 1 1 354.400 4.368 20 30 FIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273251 1115803614 /nfs/dbraw/zinc/80/36/14/1115803614.db2.gz BBHCSZLPLMMEBN-HIFRSBDPSA-N 1 1 371.308 4.058 20 30 FIEDMO CC1(C)CCC[C@H]1[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599305723 1115805384 /nfs/dbraw/zinc/80/53/84/1115805384.db2.gz CCKDSDPUGFQMBQ-LEWJYISDSA-N 1 1 370.537 4.139 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CCOCC1 ZINC000599361674 1115811756 /nfs/dbraw/zinc/81/17/56/1115811756.db2.gz JCDFQLRJWPLEFK-YMHTTXFNSA-N 1 1 374.550 4.077 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)CCOCC1 ZINC000599361672 1115811868 /nfs/dbraw/zinc/81/18/68/1115811868.db2.gz JCDFQLRJWPLEFK-PXEQJPNCSA-N 1 1 374.550 4.077 20 30 FIEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CCOCC1 ZINC000599439090 1115816143 /nfs/dbraw/zinc/81/61/43/1115816143.db2.gz XDVVEWZQEZZIPB-RTWAWAEBSA-N 1 1 368.521 4.065 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)C1 ZINC000603856034 1115821836 /nfs/dbraw/zinc/82/18/36/1115821836.db2.gz SKANVTLZXPIBMO-MRXNPFEDSA-N 1 1 364.449 4.310 20 30 FIEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526182 1115822997 /nfs/dbraw/zinc/82/29/97/1115822997.db2.gz GRHSYZJDQRLOID-XJKSGUPXSA-N 1 1 364.312 4.059 20 30 FIEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526182 1115823000 /nfs/dbraw/zinc/82/30/00/1115823000.db2.gz 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CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1 ZINC000604492908 1115867766 /nfs/dbraw/zinc/86/77/66/1115867766.db2.gz UFTRQXIBAXURKG-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000062486379 1115927110 /nfs/dbraw/zinc/92/71/10/1115927110.db2.gz VFJHWXCRCWPFKW-OYRHEFFESA-N 1 1 371.569 4.185 20 30 FIEDMO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000172607721 1115965529 /nfs/dbraw/zinc/96/55/29/1115965529.db2.gz ORRGGXDHLHFLAI-KRWDZBQOSA-N 1 1 359.477 4.383 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000172919969 1116004571 /nfs/dbraw/zinc/00/45/71/1116004571.db2.gz SGJZFMXBOIRMMM-JKSUJKDBSA-N 1 1 357.527 4.130 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000172919969 1116004574 /nfs/dbraw/zinc/00/45/74/1116004574.db2.gz SGJZFMXBOIRMMM-JKSUJKDBSA-N 1 1 357.527 4.130 20 30 FIEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1cccc(C#N)c1 ZINC000063300478 1116039479 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ZINC000131039544 1122967263 /nfs/dbraw/zinc/96/72/63/1122967263.db2.gz JZEBEBGDGZSKCZ-LJQANCHMSA-N 1 1 367.518 4.001 20 30 FIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000072579854 1123094061 /nfs/dbraw/zinc/09/40/61/1123094061.db2.gz MPUKHZVLIUGFJT-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000072579854 1123094066 /nfs/dbraw/zinc/09/40/66/1123094066.db2.gz MPUKHZVLIUGFJT-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1 ZINC000556913588 1123221553 /nfs/dbraw/zinc/22/15/53/1123221553.db2.gz UKEOCILVODFVNJ-OAHLLOKOSA-N 1 1 366.440 4.130 20 30 FIEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132473712 1123264971 /nfs/dbraw/zinc/26/49/71/1123264971.db2.gz DZGMXOLBXVCALB-FCHUYYIVSA-N 1 1 352.522 4.268 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000557029216 1123323667 /nfs/dbraw/zinc/32/36/67/1123323667.db2.gz 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COc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000064641745 1123889144 /nfs/dbraw/zinc/88/91/44/1123889144.db2.gz OQLJEKWLMBTFEN-QGZVFWFLSA-N 1 1 350.462 4.246 20 30 FIEDMO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179797057 1124080217 /nfs/dbraw/zinc/08/02/17/1124080217.db2.gz LHEGZOHVDAQWSS-INIZCTEOSA-N 1 1 363.433 4.194 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)c2O)C2CC2)cc1 ZINC000180029889 1124193022 /nfs/dbraw/zinc/19/30/22/1124193022.db2.gz PGYNKMGQJPSLCJ-UHFFFAOYSA-N 1 1 357.251 4.191 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2O)C2CC2)cc1 ZINC000180029889 1124193026 /nfs/dbraw/zinc/19/30/26/1124193026.db2.gz PGYNKMGQJPSLCJ-UHFFFAOYSA-N 1 1 357.251 4.191 20 30 FIEDMO N#Cc1ccc(NCCc2[nH+]ccn2Cc2ccccc2)cc1C(F)(F)F ZINC000301204951 1124202867 /nfs/dbraw/zinc/20/28/67/1124202867.db2.gz OSTKUARYVHXQQM-UHFFFAOYSA-N 1 1 370.378 4.476 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000301446905 1124230988 /nfs/dbraw/zinc/23/09/88/1124230988.db2.gz QIROUNXGFQLBNW-UHFFFAOYSA-N 1 1 374.513 4.394 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301456288 1124231700 /nfs/dbraw/zinc/23/17/00/1124231700.db2.gz YTNVCNAKMPFVEZ-KDOFPFPSSA-N 1 1 356.451 4.023 20 30 FIEDMO CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301453338 1124231941 /nfs/dbraw/zinc/23/19/41/1124231941.db2.gz VHAGAHNYUPVECR-QGZVFWFLSA-N 1 1 374.410 4.073 20 30 FIEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cccc(F)c2n1 ZINC000301692235 1124252574 /nfs/dbraw/zinc/25/25/74/1124252574.db2.gz XCSVMKBKXWJYBH-UHFFFAOYSA-N 1 1 374.463 4.266 20 30 FIEDMO C[C@@H]1C[N@H+](CCCCNc2c(C#N)cnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000301729279 1124255374 /nfs/dbraw/zinc/25/53/74/1124255374.db2.gz RNFFHOGCPWDVLI-GASCZTMLSA-N 1 1 372.900 4.061 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc2cc(C#N)ccc2n1 ZINC000301981269 1124275140 /nfs/dbraw/zinc/27/51/40/1124275140.db2.gz QFTIBBFHXCISKJ-GOSISDBHSA-N 1 1 356.473 4.207 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000302105710 1124284178 /nfs/dbraw/zinc/28/41/78/1124284178.db2.gz NMNJDHHQLNZKMW-OXJNMPFZSA-N 1 1 353.491 4.317 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302160365 1124290383 /nfs/dbraw/zinc/29/03/83/1124290383.db2.gz JQGRYDBAEDSJMI-FUHWJXTLSA-N 1 1 373.863 4.167 20 30 FIEDMO C=C(C)COc1cc(CNc2cccnc2-n2cc[nH+]c2C)ccc1OC ZINC000180344837 1124297143 /nfs/dbraw/zinc/29/71/43/1124297143.db2.gz JOBXAMWEZUEUEG-UHFFFAOYSA-N 1 1 364.449 4.151 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000554241498 1124310606 /nfs/dbraw/zinc/31/06/06/1124310606.db2.gz KXGFVNICTURQLS-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000554241498 1124310611 /nfs/dbraw/zinc/31/06/11/1124310611.db2.gz KXGFVNICTURQLS-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000554238990 1124310932 /nfs/dbraw/zinc/31/09/32/1124310932.db2.gz ZCZSYUFRXZYIFP-CVEARBPZSA-N 1 1 353.329 4.427 20 30 FIEDMO Cc1ccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676383 1124336903 /nfs/dbraw/zinc/33/69/03/1124336903.db2.gz UPOZHIFCDJTXFI-AUUYWEPGSA-N 1 1 358.848 4.159 20 30 FIEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198393245 1124716305 /nfs/dbraw/zinc/71/63/05/1124716305.db2.gz VHQARPCIAICYDG-CYBMUJFWSA-N 1 1 371.481 4.269 20 30 FIEDMO N#Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC000110596778 1124761499 /nfs/dbraw/zinc/76/14/99/1124761499.db2.gz RTLZYMXVKRFHIF-AYHJJNSGSA-N 1 1 352.869 4.214 20 30 FIEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249128475 1124846180 /nfs/dbraw/zinc/84/61/80/1124846180.db2.gz VJLIRDXXJXYMMF-UCLAIMLFSA-N 1 1 352.881 4.190 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252734239 1124885634 /nfs/dbraw/zinc/88/56/34/1124885634.db2.gz HVTQBBIITKBONP-HZPDHXFCSA-N 1 1 353.274 4.017 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252734239 1124885638 /nfs/dbraw/zinc/88/56/38/1124885638.db2.gz HVTQBBIITKBONP-HZPDHXFCSA-N 1 1 353.274 4.017 20 30 FIEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307811 1124888184 /nfs/dbraw/zinc/88/81/84/1124888184.db2.gz AKILRKWMHMYWNW-HNNXBMFYSA-N 1 1 362.271 4.136 20 30 FIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307811 1124888193 /nfs/dbraw/zinc/88/81/93/1124888193.db2.gz AKILRKWMHMYWNW-HNNXBMFYSA-N 1 1 362.271 4.136 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266988 1124888873 /nfs/dbraw/zinc/88/88/73/1124888873.db2.gz GDVMMMFUNLYJPH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266988 1124888878 /nfs/dbraw/zinc/88/88/78/1124888878.db2.gz GDVMMMFUNLYJPH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCc2ccccc2C1 ZINC000075647292 1124911122 /nfs/dbraw/zinc/91/11/22/1124911122.db2.gz CUPNZGAHUQAJFV-NRFANRHFSA-N 1 1 372.472 4.378 20 30 FIEDMO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944580 1124940525 /nfs/dbraw/zinc/94/05/25/1124940525.db2.gz ASRMNLKYHDKFBY-OAHLLOKOSA-N 1 1 360.413 4.456 20 30 FIEDMO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181518293 1124994106 /nfs/dbraw/zinc/99/41/06/1124994106.db2.gz JHYUAHULFCNAAR-SFHVURJKSA-N 1 1 351.494 4.130 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181717163 1125114363 /nfs/dbraw/zinc/11/43/63/1125114363.db2.gz TXTJLYSKQYGILV-CQSZACIVSA-N 1 1 367.331 4.149 20 30 FIEDMO C=C(CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000672652062 1125214483 /nfs/dbraw/zinc/21/44/83/1125214483.db2.gz WKMOASKOTLVXAQ-UHFFFAOYSA-N 1 1 367.518 4.070 20 30 FIEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)c(Cl)c1 ZINC000618822861 1125283884 /nfs/dbraw/zinc/28/38/84/1125283884.db2.gz PWEILNHTVKIDMM-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000618804821 1125284564 /nfs/dbraw/zinc/28/45/64/1125284564.db2.gz MLAXWAFPIABANK-YCRPNKLZSA-N 1 1 357.461 4.094 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499617934 1125307687 /nfs/dbraw/zinc/30/76/87/1125307687.db2.gz GRQZBIDFMXKYKU-BZSNNMDCSA-N 1 1 366.427 4.060 20 30 FIEDMO C=C[C@@H](CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001128346599 1125440711 /nfs/dbraw/zinc/44/07/11/1125440711.db2.gz IIUQVNSAGCPUBQ-NZQKXSOJSA-N 1 1 362.517 4.373 20 30 FIEDMO N#CC[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc2)C1 ZINC000602883751 568005081 /nfs/dbraw/zinc/00/50/81/568005081.db2.gz LZUDDCRLBCXESN-SFTDATJTSA-N 1 1 364.537 4.022 20 30 FIEDMO N#CCC1(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)CC1 ZINC000602814423 568043182 /nfs/dbraw/zinc/04/31/82/568043182.db2.gz GCLGSCUKWUJWNX-UHFFFAOYSA-N 1 1 363.299 4.124 20 30 FIEDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000481662318 568081817 /nfs/dbraw/zinc/08/18/17/568081817.db2.gz CWLNFGCSMIGXAB-OFAXGOBFSA-N 1 1 369.553 4.052 20 30 FIEDMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000481662318 568081818 /nfs/dbraw/zinc/08/18/18/568081818.db2.gz CWLNFGCSMIGXAB-OFAXGOBFSA-N 1 1 369.553 4.052 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000481697520 568092389 /nfs/dbraw/zinc/09/23/89/568092389.db2.gz WPUGLGYQZYVUCI-NRFANRHFSA-N 1 1 370.399 4.181 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000481697520 568092390 /nfs/dbraw/zinc/09/23/90/568092390.db2.gz WPUGLGYQZYVUCI-NRFANRHFSA-N 1 1 370.399 4.181 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481738400 568099798 /nfs/dbraw/zinc/09/97/98/568099798.db2.gz QCDNCUJQIKVSPB-AWEZNQCLSA-N 1 1 365.864 4.086 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481738400 568099799 /nfs/dbraw/zinc/09/97/99/568099799.db2.gz QCDNCUJQIKVSPB-AWEZNQCLSA-N 1 1 365.864 4.086 20 30 FIEDMO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000603857406 568168690 /nfs/dbraw/zinc/16/86/90/568168690.db2.gz DWGMTNFQWWWIMO-SFHVURJKSA-N 1 1 370.324 4.258 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000603857406 568168691 /nfs/dbraw/zinc/16/86/91/568168691.db2.gz DWGMTNFQWWWIMO-SFHVURJKSA-N 1 1 370.324 4.258 20 30 FIEDMO CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nnc2n1CCCCC2 ZINC000481916497 568182635 /nfs/dbraw/zinc/18/26/35/568182635.db2.gz DUTFBJHPZZMIMR-UXHICEINSA-N 1 1 363.509 4.385 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000604071468 568210290 /nfs/dbraw/zinc/21/02/90/568210290.db2.gz LWZTURAYWMZOJC-IBGZPJMESA-N 1 1 359.901 4.241 20 30 FIEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CCCC2 ZINC000181925600 568210856 /nfs/dbraw/zinc/21/08/56/568210856.db2.gz QZFCGCLGVQNKCL-OAHLLOKOSA-N 1 1 358.445 4.338 20 30 FIEDMO Cc1cc(C)c(C#N)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000481990083 568215873 /nfs/dbraw/zinc/21/58/73/568215873.db2.gz IBHGLCUEJNUNDQ-IFMALSPDSA-N 1 1 360.505 4.061 20 30 FIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000569617801 568410296 /nfs/dbraw/zinc/41/02/96/568410296.db2.gz QVAXTOSOHWKLPH-QGZVFWFLSA-N 1 1 357.479 4.040 20 30 FIEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570931047 568726491 /nfs/dbraw/zinc/72/64/91/568726491.db2.gz CHGKEDPOXHEPFR-IFXJQAMLSA-N 1 1 353.447 4.145 20 30 FIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570931047 568726496 /nfs/dbraw/zinc/72/64/96/568726496.db2.gz CHGKEDPOXHEPFR-IFXJQAMLSA-N 1 1 353.447 4.145 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000093710744 1125501295 /nfs/dbraw/zinc/50/12/95/1125501295.db2.gz NJZGSHBCWFUNLO-XMMPIXPASA-N 1 1 363.910 4.274 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1Cl ZINC000093710744 1125501296 /nfs/dbraw/zinc/50/12/96/1125501296.db2.gz NJZGSHBCWFUNLO-XMMPIXPASA-N 1 1 363.910 4.274 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccsc2)O1 ZINC000093768874 1125515471 /nfs/dbraw/zinc/51/54/71/1125515471.db2.gz ZHVCLBCTNRDBPG-OXJNMPFZSA-N 1 1 356.491 4.393 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccsc2)O1 ZINC000093768874 1125515478 /nfs/dbraw/zinc/51/54/78/1125515478.db2.gz ZHVCLBCTNRDBPG-OXJNMPFZSA-N 1 1 356.491 4.393 20 30 FIEDMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc1OCCCC#N ZINC000093845541 1125533599 /nfs/dbraw/zinc/53/35/99/1125533599.db2.gz XPSCIQXVYWXGFK-HXUWFJFHSA-N 1 1 367.493 4.443 20 30 FIEDMO CC(C)(C#N)CCCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000619285835 1125557106 /nfs/dbraw/zinc/55/71/06/1125557106.db2.gz DHCWIDYCBBJVGW-UHFFFAOYSA-N 1 1 351.288 4.364 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000619285835 1125557108 /nfs/dbraw/zinc/55/71/08/1125557108.db2.gz DHCWIDYCBBJVGW-UHFFFAOYSA-N 1 1 351.288 4.364 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000763543662 1125557935 /nfs/dbraw/zinc/55/79/35/1125557935.db2.gz OCTNLJLDUWDZMC-UHFFFAOYSA-N 1 1 362.429 4.328 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182876614 1125659200 /nfs/dbraw/zinc/65/92/00/1125659200.db2.gz DJQSPTCAKOTHPK-CQSZACIVSA-N 1 1 364.424 4.051 20 30 FIEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755370 1125681176 /nfs/dbraw/zinc/68/11/76/1125681176.db2.gz FZNPDCBFSRJXJP-KKSFZXQISA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619755370 1125681180 /nfs/dbraw/zinc/68/11/80/1125681180.db2.gz FZNPDCBFSRJXJP-KKSFZXQISA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619755370 1125681183 /nfs/dbraw/zinc/68/11/83/1125681183.db2.gz FZNPDCBFSRJXJP-KKSFZXQISA-N 1 1 353.897 4.212 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000152956008 1125701864 /nfs/dbraw/zinc/70/18/64/1125701864.db2.gz DMMXHJHIKAPUEQ-UHFFFAOYSA-N 1 1 357.523 4.285 20 30 FIEDMO COc1cccc([C@H]2[C@H](Nc3ncc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000182980897 1125709261 /nfs/dbraw/zinc/70/92/61/1125709261.db2.gz GJDGUJRFFUVJPS-MOPGFXCFSA-N 1 1 368.868 4.005 20 30 FIEDMO C=CCC(CC=C)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000152999156 1125712449 /nfs/dbraw/zinc/71/24/49/1125712449.db2.gz DERYQBBQKNAPOE-FQEVSTJZSA-N 1 1 364.493 4.037 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)c2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000557586694 1079543365 /nfs/dbraw/zinc/54/33/65/1079543365.db2.gz WGYRUZJDQWYJIL-QAPCUYQASA-N 1 1 354.885 4.096 20 30 FIEDMO CCCCCCCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001266263788 1079611106 /nfs/dbraw/zinc/61/11/06/1079611106.db2.gz XGNAQOZNLFAGNA-RTBURBONSA-N 1 1 360.542 4.386 20 30 FIEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000430182749 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C#CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCc2ccccc21 ZINC001167179100 1080798920 /nfs/dbraw/zinc/79/89/20/1080798920.db2.gz VRKGVLVMAWJJJF-ILBGXUMGSA-N 1 1 372.512 4.185 20 30 FIEDMO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001167192580 1080819639 /nfs/dbraw/zinc/81/96/39/1080819639.db2.gz LFVXAUYPLSMWBO-IBGZPJMESA-N 1 1 373.294 4.265 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167248239 1080907642 /nfs/dbraw/zinc/90/76/42/1080907642.db2.gz KEXKEPIUTYGYNH-VQTJNVASSA-N 1 1 371.525 4.462 20 30 FIEDMO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)CCc1ccccc1 ZINC001167271063 1080937092 /nfs/dbraw/zinc/93/70/92/1080937092.db2.gz UUXAIOXQMOBXNE-UHFFFAOYSA-N 1 1 356.897 4.077 20 30 FIEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccc(C#N)s3)cc2)C1 ZINC000176948747 1081170950 /nfs/dbraw/zinc/17/09/50/1081170950.db2.gz KZBNLIITFRXALN-IAGOWNOFSA-N 1 1 353.535 4.387 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000177258719 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ZINC000433309511 1093575494 /nfs/dbraw/zinc/57/54/94/1093575494.db2.gz ALLJLSZYKDDLSP-QGZVFWFLSA-N 1 1 364.836 4.251 20 30 FIEDMO C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508819255 1093636865 /nfs/dbraw/zinc/63/68/65/1093636865.db2.gz XZCRYKPFEKGUBL-GUDVDZBRSA-N 1 1 359.562 4.068 20 30 FIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000474389400 1093731336 /nfs/dbraw/zinc/73/13/36/1093731336.db2.gz IBSZIUGTILAXKO-UHFFFAOYSA-N 1 1 358.420 4.172 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000474389400 1093731340 /nfs/dbraw/zinc/73/13/40/1093731340.db2.gz IBSZIUGTILAXKO-UHFFFAOYSA-N 1 1 358.420 4.172 20 30 FIEDMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000419363461 1093779621 /nfs/dbraw/zinc/77/96/21/1093779621.db2.gz YYNULWZDGSMKKD-FQEVSTJZSA-N 1 1 365.477 4.213 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000614396629 1093813353 /nfs/dbraw/zinc/81/33/53/1093813353.db2.gz AEXZCXGQAPZNTL-LJQANCHMSA-N 1 1 371.278 4.203 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000614396629 1093813361 /nfs/dbraw/zinc/81/33/61/1093813361.db2.gz AEXZCXGQAPZNTL-LJQANCHMSA-N 1 1 371.278 4.203 20 30 FIEDMO C=CCOc1cccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000513090677 1093820439 /nfs/dbraw/zinc/82/04/39/1093820439.db2.gz VTMPURCTWURHNG-QFIPXVFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C=CCOc1cccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000513090677 1093820443 /nfs/dbraw/zinc/82/04/43/1093820443.db2.gz VTMPURCTWURHNG-QFIPXVFZSA-N 1 1 365.452 4.345 20 30 FIEDMO CN(CCC(C#N)(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513128160 1093868619 /nfs/dbraw/zinc/86/86/19/1093868619.db2.gz OGACYEIDPQRLID-VSGJHWFKSA-N 1 1 373.544 4.443 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120613326 1093901509 /nfs/dbraw/zinc/90/15/09/1093901509.db2.gz GODPHTINOOEMMR-OAHLLOKOSA-N 1 1 369.465 4.014 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120613326 1093901512 /nfs/dbraw/zinc/90/15/12/1093901512.db2.gz GODPHTINOOEMMR-OAHLLOKOSA-N 1 1 369.465 4.014 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120613469 1093901725 /nfs/dbraw/zinc/90/17/25/1093901725.db2.gz GODPHTINOOEMMR-HNNXBMFYSA-N 1 1 369.465 4.014 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(OC(C)C)c2)c(C#N)c1C ZINC000120613469 1093901727 /nfs/dbraw/zinc/90/17/27/1093901727.db2.gz GODPHTINOOEMMR-HNNXBMFYSA-N 1 1 369.465 4.014 20 30 FIEDMO CC[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000469093559 1094052879 /nfs/dbraw/zinc/05/28/79/1094052879.db2.gz VCOTXRABMPUDEV-LBPRGKRZSA-N 1 1 350.331 4.155 20 30 FIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2n[nH]cc2c1 ZINC000513368274 1094082690 /nfs/dbraw/zinc/08/26/90/1094082690.db2.gz UXQZBOMIKVRZJN-LLVKDONJSA-N 1 1 355.239 4.048 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000433937098 1094211099 /nfs/dbraw/zinc/21/10/99/1094211099.db2.gz QEAXIBZFBBOUAE-UHFFFAOYSA-N 1 1 359.429 4.182 20 30 FIEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894997 1094609483 /nfs/dbraw/zinc/60/94/83/1094609483.db2.gz XJWKXALVIAQYFC-HNNXBMFYSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894997 1094609494 /nfs/dbraw/zinc/60/94/94/1094609494.db2.gz XJWKXALVIAQYFC-HNNXBMFYSA-N 1 1 371.278 4.319 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000501360995 1094658899 /nfs/dbraw/zinc/65/88/99/1094658899.db2.gz MTXBLDAIDOGGKH-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000501360995 1094658905 /nfs/dbraw/zinc/65/89/05/1094658905.db2.gz MTXBLDAIDOGGKH-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)cc2)C1 ZINC000329269698 1094803884 /nfs/dbraw/zinc/80/38/84/1094803884.db2.gz FHAKTEKQEYTQHA-MDZRGWNJSA-N 1 1 357.498 4.130 20 30 FIEDMO CC(C)c1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c2cnn(C(C)C)c2n1 ZINC000329334525 1094845982 /nfs/dbraw/zinc/84/59/82/1094845982.db2.gz KTCUSXQJNFAIHJ-OAHLLOKOSA-N 1 1 369.513 4.091 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001141904782 1094867779 /nfs/dbraw/zinc/86/77/79/1094867779.db2.gz DCJBOZFXWNHWGD-UHFFFAOYSA-N 1 1 351.263 4.425 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001141904782 1094867797 /nfs/dbraw/zinc/86/77/97/1094867797.db2.gz DCJBOZFXWNHWGD-UHFFFAOYSA-N 1 1 351.263 4.425 20 30 FIEDMO O=C(NCCc1nccs1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329425179 1094899196 /nfs/dbraw/zinc/89/91/96/1094899196.db2.gz GRGTZVXHIZDXEL-HNNXBMFYSA-N 1 1 358.511 4.149 20 30 FIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329430687 1094903095 /nfs/dbraw/zinc/90/30/95/1094903095.db2.gz KDYSGCCBERSRIR-DYESRHJHSA-N 1 1 358.482 4.130 20 30 FIEDMO CC1(C)OCCC12CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141907544 1094927611 /nfs/dbraw/zinc/92/76/11/1094927611.db2.gz GAZZBUCAYPWBHO-UHFFFAOYSA-N 1 1 363.299 4.102 20 30 FIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000329491789 1094936010 /nfs/dbraw/zinc/93/60/10/1094936010.db2.gz VSHJJTPYUMFQHP-HXUWFJFHSA-N 1 1 371.525 4.034 20 30 FIEDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1OC1CCCC1 ZINC000329556336 1094970480 /nfs/dbraw/zinc/97/04/80/1094970480.db2.gz KTGDBJGMJXQWKS-QGZVFWFLSA-N 1 1 372.509 4.338 20 30 FIEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc3cc(F)ccc31)C2 ZINC000329597038 1094990753 /nfs/dbraw/zinc/99/07/53/1094990753.db2.gz VZIYTDNHJMEQKM-SUMWQHHRSA-N 1 1 357.429 4.152 20 30 FIEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)C1=O ZINC001168045128 1095025214 /nfs/dbraw/zinc/02/52/14/1095025214.db2.gz XAJROVMGTHYONW-XZOQPEGZSA-N 1 1 360.501 4.271 20 30 FIEDMO C=CCn1c(SCCn2cc[nH+]c2C)nnc1-c1cccc(Cl)c1 ZINC000502140075 1095161478 /nfs/dbraw/zinc/16/14/78/1095161478.db2.gz CWCBLIOAPNWUSF-UHFFFAOYSA-N 1 1 359.886 4.082 20 30 FIEDMO Cc1noc(C)c1CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000329701646 1095175056 /nfs/dbraw/zinc/17/50/56/1095175056.db2.gz HNSDIUGQCGQTFQ-WIYYLYMNSA-N 1 1 353.466 4.050 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000420952846 1095194390 /nfs/dbraw/zinc/19/43/90/1095194390.db2.gz SKUVBJNHSHEKDZ-OAHLLOKOSA-N 1 1 362.399 4.123 20 30 FIEDMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502187216 1095199788 /nfs/dbraw/zinc/19/97/88/1095199788.db2.gz QXXXNKWJLHYBCL-AWEZNQCLSA-N 1 1 369.415 4.248 20 30 FIEDMO CCN(CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC(F)(F)F ZINC000475037841 1095253211 /nfs/dbraw/zinc/25/32/11/1095253211.db2.gz HQVRNWHXLZVPPE-QZTJIDSGSA-N 1 1 353.432 4.032 20 30 FIEDMO Cc1c(Cl)cc([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000329804536 1095270230 /nfs/dbraw/zinc/27/02/30/1095270230.db2.gz MCPKKTUIVMHUFS-NSHDSACASA-N 1 1 353.253 4.087 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C)c1 ZINC000329855635 1095294152 /nfs/dbraw/zinc/29/41/52/1095294152.db2.gz UELLUKYHQBZQJQ-JQHSSLGASA-N 1 1 373.497 4.083 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C)c1 ZINC000329855635 1095294164 /nfs/dbraw/zinc/29/41/64/1095294164.db2.gz UELLUKYHQBZQJQ-JQHSSLGASA-N 1 1 373.497 4.083 20 30 FIEDMO CC1(C)CCC(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000502317678 1095341579 /nfs/dbraw/zinc/34/15/79/1095341579.db2.gz FVTKUWIITUUJCB-UHFFFAOYSA-N 1 1 367.537 4.199 20 30 FIEDMO CC(C)CCn1ncc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1C(C)C ZINC000330126553 1095388080 /nfs/dbraw/zinc/38/80/80/1095388080.db2.gz CAXSBIGJPRDIIK-UHFFFAOYSA-N 1 1 372.517 4.201 20 30 FIEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000330214094 1095420225 /nfs/dbraw/zinc/42/02/25/1095420225.db2.gz LKKFPPXCFZULFR-UXHICEINSA-N 1 1 352.482 4.030 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)C1 ZINC000330220416 1095423555 /nfs/dbraw/zinc/42/35/55/1095423555.db2.gz QFSPXTCMRFDIMT-HZPDHXFCSA-N 1 1 368.472 4.212 20 30 FIEDMO C[C@H]1CCSCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000330242798 1095430769 /nfs/dbraw/zinc/43/07/69/1095430769.db2.gz JNKRIVWZSFLRNW-ZDUSSCGKSA-N 1 1 363.552 4.304 20 30 FIEDMO CC1(C)CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)O1 ZINC000330244682 1095433909 /nfs/dbraw/zinc/43/39/09/1095433909.db2.gz KIPPZCGSQHZQQZ-SJLPKXTDSA-N 1 1 359.514 4.407 20 30 FIEDMO O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330290467 1095454691 /nfs/dbraw/zinc/45/46/91/1095454691.db2.gz FWHCZGABUXZHAN-IBGZPJMESA-N 1 1 355.482 4.199 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000502501465 1095517609 /nfs/dbraw/zinc/51/76/09/1095517609.db2.gz QJVDAOVPIVSRPE-UHFFFAOYSA-N 1 1 365.864 4.330 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000281343532 1095534285 /nfs/dbraw/zinc/53/42/85/1095534285.db2.gz MQPCQMTYFDYNLP-UXHICEINSA-N 1 1 360.473 4.078 20 30 FIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c(Br)c1 ZINC000421346774 1095539043 /nfs/dbraw/zinc/53/90/43/1095539043.db2.gz AOIAXPYECGGVOT-JTQLQIEISA-N 1 1 351.269 4.242 20 30 FIEDMO Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330345877 1095549370 /nfs/dbraw/zinc/54/93/70/1095549370.db2.gz FSRVTNYMJACFRM-JGJLBUBWSA-N 1 1 372.557 4.241 20 30 FIEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515023 1095550795 /nfs/dbraw/zinc/55/07/95/1095550795.db2.gz HTFPEOGGFPOXLA-UHFFFAOYSA-N 1 1 363.436 4.124 20 30 FIEDMO CC(C)n1ncc2cc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)cnc21 ZINC000502517751 1095555434 /nfs/dbraw/zinc/55/54/34/1095555434.db2.gz SXRDGZDRBINDLF-UHFFFAOYSA-N 1 1 357.461 4.173 20 30 FIEDMO Cn1c(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)nc2ccc(F)cc21 ZINC000330353693 1095561750 /nfs/dbraw/zinc/56/17/50/1095561750.db2.gz OTMOPQGWETZMNB-SFHVURJKSA-N 1 1 372.488 4.009 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000522833284 1095761202 /nfs/dbraw/zinc/76/12/02/1095761202.db2.gz URIQIKGZRYTLBQ-GFCCVEGCSA-N 1 1 362.260 4.497 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000522833284 1095761212 /nfs/dbraw/zinc/76/12/12/1095761212.db2.gz URIQIKGZRYTLBQ-GFCCVEGCSA-N 1 1 362.260 4.497 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2Cl)c(C#N)c1C ZINC000183799469 1096195670 /nfs/dbraw/zinc/19/56/70/1096195670.db2.gz DCTYFBGMEWVBDD-QWRGUYRKSA-N 1 1 363.820 4.238 20 30 FIEDMO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)CC12CCOCC2 ZINC000459665532 1098558866 /nfs/dbraw/zinc/55/88/66/1098558866.db2.gz QJZUCLWDGGDVDT-KRWDZBQOSA-N 1 1 371.830 4.373 20 30 FIEDMO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CC12CCOCC2 ZINC000459665532 1098558874 /nfs/dbraw/zinc/55/88/74/1098558874.db2.gz QJZUCLWDGGDVDT-KRWDZBQOSA-N 1 1 371.830 4.373 20 30 FIEDMO COC(=O)c1sc2ccccc2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000532899950 1098591874 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361.367 4.209 20 30 FIEDMO C=CCC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000532940381 1098615007 /nfs/dbraw/zinc/61/50/07/1098615007.db2.gz ZUSQKQVERVJXOU-VXKWHMMOSA-N 1 1 363.505 4.117 20 30 FIEDMO C[C@H]1SCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000532969199 1098637542 /nfs/dbraw/zinc/63/75/42/1098637542.db2.gz XBTODDHQKCOXLS-IIBYNOLFSA-N 1 1 365.502 4.065 20 30 FIEDMO COc1cccc(Oc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cn2)c1 ZINC000532989644 1098655919 /nfs/dbraw/zinc/65/59/19/1098655919.db2.gz GSIGGRSRCXIBLL-UHFFFAOYSA-N 1 1 363.392 4.183 20 30 FIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000533288007 1098936048 /nfs/dbraw/zinc/93/60/48/1098936048.db2.gz MEWQFCPSJVGDAY-CQSZACIVSA-N 1 1 353.304 4.454 20 30 FIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000533288006 1098936561 /nfs/dbraw/zinc/93/65/61/1098936561.db2.gz MEWQFCPSJVGDAY-AWEZNQCLSA-N 1 1 353.304 4.454 20 30 FIEDMO C[C@H](OC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000425531845 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C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000532553132 1102471532 /nfs/dbraw/zinc/47/15/32/1102471532.db2.gz CFNWUCQVJUTHAM-QGZVFWFLSA-N 1 1 367.518 4.353 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000532577397 1102499979 /nfs/dbraw/zinc/49/99/79/1102499979.db2.gz HPUUJUWFZGSRFT-UHFFFAOYSA-N 1 1 373.909 4.166 20 30 FIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000303601963 1102536890 /nfs/dbraw/zinc/53/68/90/1102536890.db2.gz AGRGESHTZGRYIW-INIZCTEOSA-N 1 1 359.539 4.389 20 30 FIEDMO C=C(Br)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000729682729 1103050588 /nfs/dbraw/zinc/05/05/88/1103050588.db2.gz BQLPTVRLQOKCPK-UHFFFAOYSA-N 1 1 368.706 4.200 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(F)c2F)no1 ZINC001211975362 1103129961 /nfs/dbraw/zinc/12/99/61/1103129961.db2.gz FIQXCAORQQRSNT-CJNGLKHVSA-N 1 1 365.424 4.093 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(C)ccc2F)no1 ZINC001211975769 1103134475 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355.507 4.047 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551707251 1103534125 /nfs/dbraw/zinc/53/41/25/1103534125.db2.gz ABMIWUWWFJIDDR-LJQANCHMSA-N 1 1 359.473 4.111 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000551707251 1103534130 /nfs/dbraw/zinc/53/41/30/1103534130.db2.gz ABMIWUWWFJIDDR-LJQANCHMSA-N 1 1 359.473 4.111 20 30 FIEDMO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440620065 1103831786 /nfs/dbraw/zinc/83/17/86/1103831786.db2.gz BCWZKZUXUPVFGN-LLVKDONJSA-N 1 1 355.257 4.351 20 30 FIEDMO C=CC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000519872765 1103916914 /nfs/dbraw/zinc/91/69/14/1103916914.db2.gz MHFAWMURZLUZBK-HSZRJFAPSA-N 1 1 373.500 4.130 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C)cc1 ZINC000519918353 1103951571 /nfs/dbraw/zinc/95/15/71/1103951571.db2.gz NQMWUBVOENLWFW-UHFFFAOYSA-N 1 1 363.505 4.381 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520094664 1104074208 /nfs/dbraw/zinc/07/42/08/1104074208.db2.gz XAFLOYZUSWMZDZ-SFHVURJKSA-N 1 1 372.509 4.314 20 30 FIEDMO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000441061097 1104095088 /nfs/dbraw/zinc/09/50/88/1104095088.db2.gz IPTBXILYJQFNQG-OAQYLSRUSA-N 1 1 361.489 4.059 20 30 FIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)c(F)cc1Br)CC2 ZINC000520293868 1104239707 /nfs/dbraw/zinc/23/97/07/1104239707.db2.gz KGZVOCBPXWMIRV-KRWDZBQOSA-N 1 1 363.205 4.376 20 30 FIEDMO COCc1nc(C[NH2+]Cc2ccc(C#N)s2)c(-c2ccccc2)s1 ZINC000441371769 1104313084 /nfs/dbraw/zinc/31/30/84/1104313084.db2.gz AEELMOZDHIZOJY-UHFFFAOYSA-N 1 1 355.488 4.179 20 30 FIEDMO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000112691520 1104395579 /nfs/dbraw/zinc/39/55/79/1104395579.db2.gz VOONOPOFPMEPKV-UHFFFAOYSA-N 1 1 358.445 4.229 20 30 FIEDMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1c(C)noc1C ZINC000328610327 1104521574 /nfs/dbraw/zinc/52/15/74/1104521574.db2.gz NPUVZXRUVYYGKQ-MSOLQXFVSA-N 1 1 362.518 4.043 20 30 FIEDMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328652838 1104524297 /nfs/dbraw/zinc/52/42/97/1104524297.db2.gz KRTOTAGBHRBTJV-SJORKVTESA-N 1 1 358.530 4.077 20 30 FIEDMO C[C@H](C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328795213 1104569340 /nfs/dbraw/zinc/56/93/40/1104569340.db2.gz TUBSAFZQURQHFM-QLFBSQMISA-N 1 1 354.498 4.169 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328827620 1104571900 /nfs/dbraw/zinc/57/19/00/1104571900.db2.gz JPTLYCWAFJDBAP-UKRRQHHQSA-N 1 1 368.424 4.013 20 30 FIEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328840249 1104575149 /nfs/dbraw/zinc/57/51/49/1104575149.db2.gz OCVFZHXHDOYUGG-ZNMIVQPWSA-N 1 1 357.498 4.237 20 30 FIEDMO C[C@@H]1C[C@@H](NC(=O)Nc2scnc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000328935898 1104594045 /nfs/dbraw/zinc/59/40/45/1104594045.db2.gz QNHVZSPVPBACEF-PBHICJAKSA-N 1 1 370.522 4.400 20 30 FIEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330575435 1104647930 /nfs/dbraw/zinc/64/79/30/1104647930.db2.gz PZKGRJCUHQDUFB-OLZOCXBDSA-N 1 1 374.451 4.082 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000550409736 1104787873 /nfs/dbraw/zinc/78/78/73/1104787873.db2.gz XJEWZFRIGATMOU-NVXWUHKLSA-N 1 1 357.523 4.141 20 30 FIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000190496727 1104896548 /nfs/dbraw/zinc/89/65/48/1104896548.db2.gz OEJRIMZSTDSYDG-SFHVURJKSA-N 1 1 374.488 4.325 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000629161883 1105138491 /nfs/dbraw/zinc/13/84/91/1105138491.db2.gz PJOZTSJIBRSDCF-NEPJUHHUSA-N 1 1 359.272 4.372 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000629161885 1105138738 /nfs/dbraw/zinc/13/87/38/1105138738.db2.gz PJOZTSJIBRSDCF-RYUDHWBXSA-N 1 1 359.272 4.372 20 30 FIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001168127013 1106917664 /nfs/dbraw/zinc/91/76/64/1106917664.db2.gz TWBJCRBMEDOWPS-PBHICJAKSA-N 1 1 359.539 4.338 20 30 FIEDMO C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000451093692 1106924495 /nfs/dbraw/zinc/92/44/95/1106924495.db2.gz OJMPKOIWRMAZAE-OAQYLSRUSA-N 1 1 373.544 4.302 20 30 FIEDMO C[C@H]1CN(C2CC2)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451093692 1106924500 /nfs/dbraw/zinc/92/45/00/1106924500.db2.gz OJMPKOIWRMAZAE-OAQYLSRUSA-N 1 1 373.544 4.302 20 30 FIEDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451093692 1106924503 /nfs/dbraw/zinc/92/45/03/1106924503.db2.gz OJMPKOIWRMAZAE-OAQYLSRUSA-N 1 1 373.544 4.302 20 30 FIEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000451609378 1107196998 /nfs/dbraw/zinc/19/69/98/1107196998.db2.gz WAOJMHOMPXVUCM-FZQKWOKYSA-N 1 1 354.237 4.038 20 30 FIEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000452117820 1107468504 /nfs/dbraw/zinc/46/85/04/1107468504.db2.gz ODONHAIFKDVOJV-UHFFFAOYSA-N 1 1 358.835 4.040 20 30 FIEDMO CN(CC#Cc1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117820 1107468514 /nfs/dbraw/zinc/46/85/14/1107468514.db2.gz ODONHAIFKDVOJV-UHFFFAOYSA-N 1 1 358.835 4.040 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000609892795 1107574024 /nfs/dbraw/zinc/57/40/24/1107574024.db2.gz ZHYWTOURLCLWDY-UHFFFAOYSA-N 1 1 370.500 4.455 20 30 FIEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152925 1107581055 /nfs/dbraw/zinc/58/10/55/1107581055.db2.gz RVLHPKRHPCJUBO-VXKWHMMOSA-N 1 1 363.505 4.100 20 30 FIEDMO Cc1ccncc1C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000475563436 1107739214 /nfs/dbraw/zinc/73/92/14/1107739214.db2.gz BZJUKWKZXDKNAA-UHFFFAOYSA-N 1 1 357.457 4.473 20 30 FIEDMO N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(F)c1 ZINC000531342161 1107783307 /nfs/dbraw/zinc/78/33/07/1107783307.db2.gz HCRWKJYXURHGQE-QHCPKHFHSA-N 1 1 363.480 4.185 20 30 FIEDMO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000025363652 1107786884 /nfs/dbraw/zinc/78/68/84/1107786884.db2.gz PBDZTGFACQTQOB-HSZRJFAPSA-N 1 1 356.473 4.311 20 30 FIEDMO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000452647295 1107861246 /nfs/dbraw/zinc/86/12/46/1107861246.db2.gz QCHXYQDPVREPCV-GOSISDBHSA-N 1 1 367.880 4.257 20 30 FIEDMO Cc1nccn1CCC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193075743 1107868469 /nfs/dbraw/zinc/86/84/69/1107868469.db2.gz CGXBKSITOVRBBY-UHFFFAOYSA-N 1 1 372.516 4.413 20 30 FIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(F)c(F)c1F ZINC000444596308 1108006528 /nfs/dbraw/zinc/00/65/28/1108006528.db2.gz WWJPQLNWGOGSGV-UHFFFAOYSA-N 1 1 369.431 4.474 20 30 FIEDMO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000444691069 1108092108 /nfs/dbraw/zinc/09/21/08/1108092108.db2.gz CGCCNYUVUQAZOO-HNNXBMFYSA-N 1 1 367.518 4.184 20 30 FIEDMO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000444691069 1108092124 /nfs/dbraw/zinc/09/21/24/1108092124.db2.gz CGCCNYUVUQAZOO-HNNXBMFYSA-N 1 1 367.518 4.184 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c1C ZINC000444734332 1108123203 /nfs/dbraw/zinc/12/32/03/1108123203.db2.gz LDZNKTOFDXTFSM-UHFFFAOYSA-N 1 1 367.468 4.130 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c1C ZINC000444734332 1108123209 /nfs/dbraw/zinc/12/32/09/1108123209.db2.gz LDZNKTOFDXTFSM-UHFFFAOYSA-N 1 1 367.468 4.130 20 30 FIEDMO CC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccc(C#N)cc1 ZINC000453258716 1108333590 /nfs/dbraw/zinc/33/35/90/1108333590.db2.gz BGYBMMDFLMZIDC-CYBMUJFWSA-N 1 1 350.285 4.327 20 30 FIEDMO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000453273675 1108378535 /nfs/dbraw/zinc/37/85/35/1108378535.db2.gz CHXUMYHAXJTWHO-XIKOKIGWSA-N 1 1 366.358 4.490 20 30 FIEDMO C=CC[C@@H]1N(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1(C)C ZINC000445153717 1108478956 /nfs/dbraw/zinc/47/89/56/1108478956.db2.gz WERZOZOFCWTYDG-IBGZPJMESA-N 1 1 370.541 4.135 20 30 FIEDMO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000532158773 1108683706 /nfs/dbraw/zinc/68/37/06/1108683706.db2.gz OMXMGKPMTJEOCX-QHCPKHFHSA-N 1 1 361.489 4.038 20 30 FIEDMO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000532158773 1108683715 /nfs/dbraw/zinc/68/37/15/1108683715.db2.gz OMXMGKPMTJEOCX-QHCPKHFHSA-N 1 1 361.489 4.038 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939831 1109090364 /nfs/dbraw/zinc/09/03/64/1109090364.db2.gz WGTFTZXXJPKZMC-OXQOHEQNSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440939831 1109090369 /nfs/dbraw/zinc/09/03/69/1109090369.db2.gz WGTFTZXXJPKZMC-OXQOHEQNSA-N 1 1 373.456 4.260 20 30 FIEDMO Clc1cccc(C#CCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000446718157 1109321371 /nfs/dbraw/zinc/32/13/71/1109321371.db2.gz HJTDDKVBPYJRKW-BJMVGYQFSA-N 1 1 350.893 4.023 20 30 FIEDMO C[N@@H+](Cc1ccccc1)CC1CCN(CC#Cc2ccc(F)cc2)CC1 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362.433 4.200 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1cccc(OC)c1 ZINC000441222555 1109469667 /nfs/dbraw/zinc/46/96/67/1109469667.db2.gz FRXRVLFXSFWFGR-OAHLLOKOSA-N 1 1 362.433 4.200 20 30 FIEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000022516579 1109480555 /nfs/dbraw/zinc/48/05/55/1109480555.db2.gz OGONZEQKXFBCKK-UHFFFAOYSA-N 1 1 352.409 4.371 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cccc(CC#N)c2)c1 ZINC000447280001 1109495204 /nfs/dbraw/zinc/49/52/04/1109495204.db2.gz ULIASJBZSOZVJY-UHFFFAOYSA-N 1 1 363.505 4.305 20 30 FIEDMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc(Cl)ccc1Cl ZINC000186753350 1109498822 /nfs/dbraw/zinc/49/88/22/1109498822.db2.gz VMCSJUXTKFYPRY-VIFPVBQESA-N 1 1 354.262 4.216 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000447320936 1109512989 /nfs/dbraw/zinc/51/29/89/1109512989.db2.gz INLFKOKDNFBCQT-PRXAMGSTSA-N 1 1 356.297 4.087 20 30 FIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441268139 1109548842 /nfs/dbraw/zinc/54/88/42/1109548842.db2.gz XUMOMHBCVAHILI-HUUCEWRRSA-N 1 1 360.860 4.165 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc3ccccc3s2)c1C#N ZINC000527485295 1109759337 /nfs/dbraw/zinc/75/93/37/1109759337.db2.gz WJULYQBVDJGGSU-CYBMUJFWSA-N 1 1 350.443 4.410 20 30 FIEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000448377960 1109780930 /nfs/dbraw/zinc/78/09/30/1109780930.db2.gz YNQKUCYRWRQAHK-AVRDEDQJSA-N 1 1 364.489 4.263 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(C4CCCC4)n3)CCOCC2)cc1 ZINC000528782717 1110111651 /nfs/dbraw/zinc/11/16/51/1110111651.db2.gz KTMRKWWVCIFION-UHFFFAOYSA-N 1 1 367.518 4.468 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(-c4ccoc4)n3)CCOCC2)cc1 ZINC000528780121 1110111720 /nfs/dbraw/zinc/11/17/20/1110111720.db2.gz AVYATQJLLZYCNR-UHFFFAOYSA-N 1 1 365.458 4.070 20 30 FIEDMO CC(C)CCc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000528783563 1110112267 /nfs/dbraw/zinc/11/22/67/1110112267.db2.gz OFYAGVINWBVMAY-UHFFFAOYSA-N 1 1 369.534 4.399 20 30 FIEDMO Cc1nc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(Cl)cc1C#N ZINC000461779235 1111353869 /nfs/dbraw/zinc/35/38/69/1111353869.db2.gz UTOHCCZOIVXWJH-CQSZACIVSA-N 1 1 356.857 4.052 20 30 FIEDMO COc1ccc([C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)cc1 ZINC000539242783 1111491505 /nfs/dbraw/zinc/49/15/05/1111491505.db2.gz BHEJCPLHBWHLGD-HXUWFJFHSA-N 1 1 362.433 4.104 20 30 FIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCOc1cccc(C#N)c1)CCC2 ZINC000478048405 1111664868 /nfs/dbraw/zinc/66/48/68/1111664868.db2.gz QRRQFVRSUNHSLU-SFHVURJKSA-N 1 1 355.507 4.355 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000480380341 1112405579 /nfs/dbraw/zinc/40/55/79/1112405579.db2.gz DGFMMCYBXVAFHJ-UHFFFAOYSA-N 1 1 358.157 4.202 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000480529632 1112469524 /nfs/dbraw/zinc/46/95/24/1112469524.db2.gz RXTVEGIRMXRARA-INIZCTEOSA-N 1 1 353.853 4.062 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000480529632 1112469528 /nfs/dbraw/zinc/46/95/28/1112469528.db2.gz RXTVEGIRMXRARA-INIZCTEOSA-N 1 1 353.853 4.062 20 30 FIEDMO CSc1ccc([C@@H](C[NH2+]CCC#N)N2CCc3sccc3C2)cc1 ZINC000554870532 1112537784 /nfs/dbraw/zinc/53/77/84/1112537784.db2.gz CLFPUKIBRDLBKY-GOSISDBHSA-N 1 1 357.548 4.073 20 30 FIEDMO COc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1OCCCC#N ZINC000554872861 1112540131 /nfs/dbraw/zinc/54/01/31/1112540131.db2.gz CYGUQJCMTSXELZ-UHFFFAOYSA-N 1 1 352.434 4.260 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)o1 ZINC000600187382 1112916060 /nfs/dbraw/zinc/91/60/60/1112916060.db2.gz XVHBDXAXBYJPRS-INIZCTEOSA-N 1 1 363.280 4.280 20 30 FIEDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212221 1112926143 /nfs/dbraw/zinc/92/61/43/1112926143.db2.gz ACOGFQHTBJKKRJ-UHFFFAOYSA-N 1 1 362.502 4.206 20 30 FIEDMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212221 1112926144 /nfs/dbraw/zinc/92/61/44/1112926144.db2.gz ACOGFQHTBJKKRJ-UHFFFAOYSA-N 1 1 362.502 4.206 20 30 FIEDMO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143609662 1112969635 /nfs/dbraw/zinc/96/96/35/1112969635.db2.gz HTIXJQILFPOUTD-UHFFFAOYSA-N 1 1 372.415 4.197 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000483110065 1113444611 /nfs/dbraw/zinc/44/46/11/1113444611.db2.gz NHGOQKAEPAWPRO-INIZCTEOSA-N 1 1 371.843 4.169 20 30 FIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483145421 1113453053 /nfs/dbraw/zinc/45/30/53/1113453053.db2.gz FNGGAVIPUAHFCX-NRFANRHFSA-N 1 1 367.537 4.197 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC1CC1)CC1CCC1 ZINC000483272041 1113476723 /nfs/dbraw/zinc/47/67/23/1113476723.db2.gz UKVQZPSGICVHGD-INIZCTEOSA-N 1 1 371.550 4.389 20 30 FIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccsc3Cl)CC2)c1 ZINC000483300699 1113483444 /nfs/dbraw/zinc/48/34/44/1113483444.db2.gz YMGFJAYXQMFAHH-UHFFFAOYSA-N 1 1 359.882 4.124 20 30 FIEDMO C=CCOc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000486488819 1113576592 /nfs/dbraw/zinc/57/65/92/1113576592.db2.gz MYQMABJXDOBSMI-KNQAVFIVSA-N 1 1 350.506 4.252 20 30 FIEDMO C=CCOc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000486488819 1113576596 /nfs/dbraw/zinc/57/65/96/1113576596.db2.gz MYQMABJXDOBSMI-KNQAVFIVSA-N 1 1 350.506 4.252 20 30 FIEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000486725399 1113631327 /nfs/dbraw/zinc/63/13/27/1113631327.db2.gz XNPXRMABIMKJIF-IBGZPJMESA-N 1 1 371.278 4.203 20 30 FIEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000486725399 1113631330 /nfs/dbraw/zinc/63/13/30/1113631330.db2.gz XNPXRMABIMKJIF-IBGZPJMESA-N 1 1 371.278 4.203 20 30 FIEDMO Cc1ccc2ncc(C#N)c(N3CCC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000487906127 1113822113 /nfs/dbraw/zinc/82/21/13/1113822113.db2.gz HCUHUHBSBCEBIG-UHFFFAOYSA-N 1 1 356.473 4.127 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488012572 1113840354 /nfs/dbraw/zinc/84/03/54/1113840354.db2.gz HZQXSODWDCKFED-MSOLQXFVSA-N 1 1 367.896 4.220 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488012572 1113840358 /nfs/dbraw/zinc/84/03/58/1113840358.db2.gz HZQXSODWDCKFED-MSOLQXFVSA-N 1 1 367.896 4.220 20 30 FIEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1C#N ZINC000488187640 1113870727 /nfs/dbraw/zinc/87/07/27/1113870727.db2.gz UJOGBSRVLBIEAU-OAQYLSRUSA-N 1 1 362.477 4.043 20 30 FIEDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488294506 1113902339 /nfs/dbraw/zinc/90/23/39/1113902339.db2.gz MRQPWSZMBXUMPF-ZDUSSCGKSA-N 1 1 373.547 4.062 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CCc1cccs1 ZINC000488358907 1113915148 /nfs/dbraw/zinc/91/51/48/1113915148.db2.gz JILWXSWBNUDBKL-INIZCTEOSA-N 1 1 362.564 4.277 20 30 FIEDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488362573 1113915901 /nfs/dbraw/zinc/91/59/01/1113915901.db2.gz RUHOZLUJFJOQDT-CYBMUJFWSA-N 1 1 361.898 4.165 20 30 FIEDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488362574 1113915943 /nfs/dbraw/zinc/91/59/43/1113915943.db2.gz RUHOZLUJFJOQDT-ZDUSSCGKSA-N 1 1 361.898 4.165 20 30 FIEDMO C[C@@H]1CSCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000488394681 1113918076 /nfs/dbraw/zinc/91/80/76/1113918076.db2.gz IBUOUTQTXJYDHN-KRWDZBQOSA-N 1 1 352.503 4.322 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CC#N)c2)[C@H]1c1cccs1 ZINC000570169822 1113937646 /nfs/dbraw/zinc/93/76/46/1113937646.db2.gz YFKRWCZCEYTGRK-LPHOPBHVSA-N 1 1 368.506 4.019 20 30 FIEDMO C=CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489409318 1114103115 /nfs/dbraw/zinc/10/31/15/1114103115.db2.gz TUKXJQPJROLFPG-PMOQBDJRSA-N 1 1 362.517 4.373 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490048562 1114210655 /nfs/dbraw/zinc/21/06/55/1114210655.db2.gz UHBRTLSUVNJFAC-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490048562 1114210657 /nfs/dbraw/zinc/21/06/57/1114210657.db2.gz UHBRTLSUVNJFAC-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490053819 1114210975 /nfs/dbraw/zinc/21/09/75/1114210975.db2.gz AMHJPMQAEYPRKS-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490053819 1114210977 /nfs/dbraw/zinc/21/09/77/1114210977.db2.gz AMHJPMQAEYPRKS-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000490054030 1114211203 /nfs/dbraw/zinc/21/12/03/1114211203.db2.gz NNZUOOWFPWKVDU-OXQOHEQNSA-N 1 1 358.445 4.295 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490565514 1114303663 /nfs/dbraw/zinc/30/36/63/1114303663.db2.gz JGBUDLROYRBZHW-LJQANCHMSA-N 1 1 374.463 4.162 20 30 FIEDMO C[C@H]([NH2+]Cc1nc2cc(Br)ccc2o1)c1cccc(C#N)c1 ZINC000586768756 1114389648 /nfs/dbraw/zinc/38/96/48/1114389648.db2.gz AEAUPPJFHLLKDN-NSHDSACASA-N 1 1 356.223 4.313 20 30 FIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000164322030 1114471835 /nfs/dbraw/zinc/47/18/35/1114471835.db2.gz BOVJZYNREJOUSM-SFHVURJKSA-N 1 1 358.507 4.404 20 30 FIEDMO C=C(C)COc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1OC ZINC000571805559 1114539734 /nfs/dbraw/zinc/53/97/34/1114539734.db2.gz BDDVWTJHVZNBKR-UHFFFAOYSA-N 1 1 367.445 4.024 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1OC ZINC000571805559 1114539739 /nfs/dbraw/zinc/53/97/39/1114539739.db2.gz BDDVWTJHVZNBKR-UHFFFAOYSA-N 1 1 367.445 4.024 20 30 FIEDMO N#CCc1ccccc1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572302774 1114627266 /nfs/dbraw/zinc/62/72/66/1114627266.db2.gz PAYAWGBKSIZASI-GOSISDBHSA-N 1 1 362.477 4.198 20 30 FIEDMO CCCN(C(=O)CCCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000588906892 1114664624 /nfs/dbraw/zinc/66/46/24/1114664624.db2.gz CBIKJEVUIVTECS-NRFANRHFSA-N 1 1 355.526 4.364 20 30 FIEDMO Cc1oc(-c2ccsc2)nc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980555 1114684794 /nfs/dbraw/zinc/68/47/94/1114684794.db2.gz ZZZOJZJBZLFVSC-UHFFFAOYSA-N 1 1 367.474 4.232 20 30 FIEDMO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980555 1114684796 /nfs/dbraw/zinc/68/47/96/1114684796.db2.gz ZZZOJZJBZLFVSC-UHFFFAOYSA-N 1 1 367.474 4.232 20 30 FIEDMO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2o1)c1cccc(C#N)c1 ZINC000589742400 1114831860 /nfs/dbraw/zinc/83/18/60/1114831860.db2.gz UHJWKOKBPPDGMK-NSHDSACASA-N 1 1 356.223 4.313 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C3CC3)CC2)c1C#N ZINC000590006508 1114873309 /nfs/dbraw/zinc/87/33/09/1114873309.db2.gz IFCHHSKBOIOZAA-UHFFFAOYSA-N 1 1 368.525 4.152 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590638993 1114957061 /nfs/dbraw/zinc/95/70/61/1114957061.db2.gz LGVAJZGFCRDGCD-UHFFFAOYSA-N 1 1 366.852 4.065 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590604232 1114957847 /nfs/dbraw/zinc/95/78/47/1114957847.db2.gz DQKYUQCBZUXJMG-HXUWFJFHSA-N 1 1 355.526 4.055 20 30 FIEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653765 1114960115 /nfs/dbraw/zinc/96/01/15/1114960115.db2.gz NSQGPRZVTSERHM-UUOWRZLLSA-N 1 1 359.517 4.231 20 30 FIEDMO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653765 1114960118 /nfs/dbraw/zinc/96/01/18/1114960118.db2.gz NSQGPRZVTSERHM-UUOWRZLLSA-N 1 1 359.517 4.231 20 30 FIEDMO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000592135510 1115204538 /nfs/dbraw/zinc/20/45/38/1115204538.db2.gz KMCXINUPPXXMAT-UHFFFAOYSA-N 1 1 363.461 4.433 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000592761487 1115264077 /nfs/dbraw/zinc/26/40/77/1115264077.db2.gz PDSIQDLAANOKPQ-BXUZGUMPSA-N 1 1 365.264 4.084 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000592801936 1115266023 /nfs/dbraw/zinc/26/60/23/1115266023.db2.gz VGBZXSIFNZKCQR-CQSZACIVSA-N 1 1 354.454 4.084 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280489 /nfs/dbraw/zinc/28/04/89/1115280489.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 1 1 353.535 4.191 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280507 /nfs/dbraw/zinc/28/05/07/1115280507.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 1 1 353.535 4.191 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280512 /nfs/dbraw/zinc/28/05/12/1115280512.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 1 1 353.535 4.191 20 30 FIEDMO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000593078066 1115299953 /nfs/dbraw/zinc/29/99/53/1115299953.db2.gz WPCNGXNBODFBFS-SUMWQHHRSA-N 1 1 370.884 4.173 20 30 FIEDMO N#CC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCCC1 ZINC000593653157 1115337374 /nfs/dbraw/zinc/33/73/74/1115337374.db2.gz CXHJMIQODFRUHH-UHFFFAOYSA-N 1 1 359.214 4.224 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCc2ccccc21 ZINC000593679091 1115338762 /nfs/dbraw/zinc/33/87/62/1115338762.db2.gz IDHRJSKJXFQYCB-GOSISDBHSA-N 1 1 371.488 4.021 20 30 FIEDMO COc1cc(-c2nc(C[NH+]3CCC(CCC#N)CC3)cs2)ccc1O ZINC000574316431 1115345648 /nfs/dbraw/zinc/34/56/48/1115345648.db2.gz GGLBEDWMOMMMSE-UHFFFAOYSA-N 1 1 357.479 4.040 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3cccc(O)c3Br)CCC2)cc1 ZINC000594518333 1115459527 /nfs/dbraw/zinc/45/95/27/1115459527.db2.gz OXMPDJAWFWSWKI-UHFFFAOYSA-N 1 1 357.251 4.195 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c(-c2ccncc2)n1 ZINC000594614994 1115472128 /nfs/dbraw/zinc/47/21/28/1115472128.db2.gz KVHVTLICXLMHSW-OAQYLSRUSA-N 1 1 363.509 4.403 20 30 FIEDMO CC(C)(C)c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594978431 1115500352 /nfs/dbraw/zinc/50/03/52/1115500352.db2.gz BHLNLDDIIZCGPK-UHFFFAOYSA-N 1 1 355.507 4.108 20 30 FIEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000593019666 1115538037 /nfs/dbraw/zinc/53/80/37/1115538037.db2.gz IJQITOYFMNZKGT-CQSZACIVSA-N 1 1 369.421 4.115 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000595609292 1115553002 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FIEDMO C=CCOc1ccc(C[N@H+](Cc2cn3cccnc3n2)C(C)(C)C)cc1 ZINC000131810506 1123189453 /nfs/dbraw/zinc/18/94/53/1123189453.db2.gz RSONMJLBORDNFR-UHFFFAOYSA-N 1 1 350.466 4.095 20 30 FIEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000556958841 1123270646 /nfs/dbraw/zinc/27/06/46/1123270646.db2.gz IZCUBVJUMVKDAS-IRLDBZIGSA-N 1 1 371.525 4.344 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3ncc(Br)cc32)c1 ZINC000925478706 1123406090 /nfs/dbraw/zinc/40/60/90/1123406090.db2.gz WKPNGNZZZIPKCT-INIZCTEOSA-N 1 1 360.230 4.022 20 30 FIEDMO Cc1cc(C[N@@H+](C)CCCSCC#N)cc(C)c1OCC(F)(F)F ZINC000074982065 1123437348 /nfs/dbraw/zinc/43/73/48/1123437348.db2.gz IFMOTOFFWUQQRZ-UHFFFAOYSA-N 1 1 360.445 4.323 20 30 FIEDMO C[C@H](N[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccccc1 ZINC000920383863 1123449937 /nfs/dbraw/zinc/44/99/37/1123449937.db2.gz ZGTGFEBSTQCOBV-HNNXBMFYSA-N 1 1 367.884 4.276 20 30 FIEDMO CCOc1ccc(/C=N/Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(O)c1 ZINC000920386508 1123450642 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C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000301433952 1124230878 /nfs/dbraw/zinc/23/08/78/1124230878.db2.gz JRWQPYJAHFCGHC-GOSISDBHSA-N 1 1 356.473 4.207 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301456289 1124231996 /nfs/dbraw/zinc/23/19/96/1124231996.db2.gz YTNVCNAKMPFVEZ-KSSFIOAISA-N 1 1 356.451 4.023 20 30 FIEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl)C1(C#N)CCCCC1 ZINC000108083437 1124233381 /nfs/dbraw/zinc/23/33/81/1124233381.db2.gz AFYLYTFOKQYJPP-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl)C1(C#N)CCCCC1 ZINC000108083437 1124233387 /nfs/dbraw/zinc/23/33/87/1124233387.db2.gz AFYLYTFOKQYJPP-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273562630 1124240065 /nfs/dbraw/zinc/24/00/65/1124240065.db2.gz WUFJWBZESUXLQD-CTNGQTDRSA-N 1 1 354.425 4.058 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000273581972 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OKMQZRYNVAFJAC-PXNSSMCTSA-N 1 1 353.491 4.317 20 30 FIEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246541949 1124527597 /nfs/dbraw/zinc/52/75/97/1124527597.db2.gz GBBAODADKANOJH-IAGOWNOFSA-N 1 1 374.554 4.276 20 30 FIEDMO CCOc1cc(C[NH2+]Cc2ccc(C#N)cn2)ccc1OCc1ccccc1 ZINC000780556559 1124568546 /nfs/dbraw/zinc/56/85/46/1124568546.db2.gz ZYVDTMILGRNQTQ-UHFFFAOYSA-N 1 1 373.456 4.221 20 30 FIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554887167 1124707057 /nfs/dbraw/zinc/70/70/57/1124707057.db2.gz BIBKGNFTVKDFLQ-YOEHRIQHSA-N 1 1 359.539 4.338 20 30 FIEDMO CCCCCCCc1ccc(-c2noc(CNCC3CC[NH2+]CC3)n2)cc1 ZINC001212320546 1124728503 /nfs/dbraw/zinc/72/85/03/1124728503.db2.gz OSKULTDRSDILPH-UHFFFAOYSA-N 1 1 370.541 4.339 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000542883492 1124748482 /nfs/dbraw/zinc/74/84/82/1124748482.db2.gz NTGAEZSHOCFGIJ-CBGDNZLLSA-N 1 1 371.550 4.389 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181307308 1124850461 /nfs/dbraw/zinc/85/04/61/1124850461.db2.gz NNGKKHFRHWPLJG-JXFKEZNVSA-N 1 1 357.461 4.284 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000249345118 1124854531 /nfs/dbraw/zinc/85/45/31/1124854531.db2.gz UAWPZZHKWDGFQB-QAPCUYQASA-N 1 1 371.481 4.359 20 30 FIEDMO COc1cc(C[N@@H+](Cc2ccccc2C(C)(C)C#N)C2CC2)ccc1O ZINC000089973645 1124972615 /nfs/dbraw/zinc/97/26/15/1124972615.db2.gz UNXIKRMORJHCMC-UHFFFAOYSA-N 1 1 350.462 4.367 20 30 FIEDMO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000112371710 1124985967 /nfs/dbraw/zinc/98/59/67/1124985967.db2.gz LGPWAIPOMOXCDT-UHFFFAOYSA-N 1 1 367.250 4.001 20 30 FIEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000252195954 1125065622 /nfs/dbraw/zinc/06/56/22/1125065622.db2.gz SJJFGOHJRNWKGD-ROUUACIJSA-N 1 1 361.489 4.075 20 30 FIEDMO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847451 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COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000612203455 1083550770 /nfs/dbraw/zinc/55/07/70/1083550770.db2.gz AMQJNRTVTBVRDR-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO Clc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000255800549 1083554045 /nfs/dbraw/zinc/55/40/45/1083554045.db2.gz SUYGRUWZENFMGJ-UHFFFAOYSA-N 1 1 365.260 4.381 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1cccs1 ZINC000375840748 1083667322 /nfs/dbraw/zinc/66/73/22/1083667322.db2.gz QESSXXUADYNDDJ-KSSFIOAISA-N 1 1 373.909 4.086 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612376066 1083756688 /nfs/dbraw/zinc/75/66/88/1083756688.db2.gz QGFIBRXUUSBMPF-JOCHJYFZSA-N 1 1 370.541 4.144 20 30 FIEDMO Cn1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179918644 1083890893 /nfs/dbraw/zinc/89/08/93/1083890893.db2.gz BLTDQXUMBRLASL-NRFANRHFSA-N 1 1 374.513 4.249 20 30 FIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179937383 1083914060 /nfs/dbraw/zinc/91/40/60/1083914060.db2.gz HDFOXFOCVZVRED-QGZVFWFLSA-N 1 1 369.472 4.414 20 30 FIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001167516730 1084427856 /nfs/dbraw/zinc/42/78/56/1084427856.db2.gz ISLSBTRCEOAFLO-SFHVURJKSA-N 1 1 369.534 4.437 20 30 FIEDMO N#Cc1ccncc1N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000580869931 1084490571 /nfs/dbraw/zinc/49/05/71/1084490571.db2.gz HTAUKCSAEGJJGF-UHFFFAOYSA-N 1 1 360.486 4.004 20 30 FIEDMO COc1cc(C[N@H+](C)Cc2csc(Br)c2)ccc1C#N ZINC000234932590 1084604823 /nfs/dbraw/zinc/60/48/23/1084604823.db2.gz ABGYPYQPQFGWAK-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO COc1cc(C[N@@H+](C)Cc2csc(Br)c2)ccc1C#N ZINC000234932590 1084604832 /nfs/dbraw/zinc/60/48/32/1084604832.db2.gz ABGYPYQPQFGWAK-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143437112 1084665446 /nfs/dbraw/zinc/66/54/46/1084665446.db2.gz WLWLFUMIOFYHHD-GFCCVEGCSA-N 1 1 363.248 4.448 20 30 FIEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143437112 1084665451 /nfs/dbraw/zinc/66/54/51/1084665451.db2.gz WLWLFUMIOFYHHD-GFCCVEGCSA-N 1 1 363.248 4.448 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000173926367 1084710265 /nfs/dbraw/zinc/71/02/65/1084710265.db2.gz KQCTVLBUSPNZRD-SUMWQHHRSA-N 1 1 357.454 4.171 20 30 FIEDMO C[N@@H+](CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000548717091 1084818176 /nfs/dbraw/zinc/81/81/76/1084818176.db2.gz RZZTVYRSQZXWNH-MRXNPFEDSA-N 1 1 368.308 4.329 20 30 FIEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587482 1084882488 /nfs/dbraw/zinc/88/24/88/1084882488.db2.gz CZZLHUPBHJZUHZ-MQSCRBSSSA-N 1 1 363.480 4.088 20 30 FIEDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000582352165 1084900776 /nfs/dbraw/zinc/90/07/76/1084900776.db2.gz JMZNGNBKTPAPGQ-HNNXBMFYSA-N 1 1 373.294 4.094 20 30 FIEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000582352165 1084900777 /nfs/dbraw/zinc/90/07/77/1084900777.db2.gz JMZNGNBKTPAPGQ-HNNXBMFYSA-N 1 1 373.294 4.094 20 30 FIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3Cl)n2c1 ZINC000511110576 1084946709 /nfs/dbraw/zinc/94/67/09/1084946709.db2.gz VPGFLHLCSWJCAO-QGZVFWFLSA-N 1 1 350.853 4.066 20 30 FIEDMO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000478420443 1084946877 /nfs/dbraw/zinc/94/68/77/1084946877.db2.gz XIQQTVCSHLUSML-NRFANRHFSA-N 1 1 370.518 4.195 20 30 FIEDMO N#CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CCCCC1 ZINC001167571898 1084966935 /nfs/dbraw/zinc/96/69/35/1084966935.db2.gz CYQWZOLRLFCBPP-UHFFFAOYSA-N 1 1 367.518 4.190 20 30 FIEDMO CC(C)C[N@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000049800737 1085210809 /nfs/dbraw/zinc/21/08/09/1085210809.db2.gz FLOFETZUVPBBCL-UHFFFAOYSA-N 1 1 351.288 4.284 20 30 FIEDMO COC(=O)[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000176711041 1085276288 /nfs/dbraw/zinc/27/62/88/1085276288.db2.gz BDOKWWQZAWXMQX-OAQYLSRUSA-N 1 1 363.461 4.121 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000187765468 1085514756 /nfs/dbraw/zinc/51/47/56/1085514756.db2.gz FMJNIXUWKMASKQ-ADLMAVQZSA-N 1 1 366.358 4.477 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000661382771 1085540985 /nfs/dbraw/zinc/54/09/85/1085540985.db2.gz XLFKSIJUZYBCLK-QGZVFWFLSA-N 1 1 369.534 4.421 20 30 FIEDMO COc1ccc(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)cc1OCCCC#N ZINC000594613257 1085564023 /nfs/dbraw/zinc/56/40/23/1085564023.db2.gz BJJOKNOOSCJFNR-GOSISDBHSA-N 1 1 372.509 4.301 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000066905454 1085763370 /nfs/dbraw/zinc/76/33/70/1085763370.db2.gz ILHBBCKNXSXWAK-UHFFFAOYSA-N 1 1 374.469 4.136 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661871306 1085879611 /nfs/dbraw/zinc/87/96/11/1085879611.db2.gz SORIZZRSMBMGFY-IBGZPJMESA-N 1 1 374.550 4.184 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876898 1085887333 /nfs/dbraw/zinc/88/73/33/1085887333.db2.gz AUKSNVYATMNNAR-PKOBYXMFSA-N 1 1 374.550 4.184 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876898 1085887350 /nfs/dbraw/zinc/88/73/50/1085887350.db2.gz AUKSNVYATMNNAR-PKOBYXMFSA-N 1 1 374.550 4.184 20 30 FIEDMO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167841565 1086734826 /nfs/dbraw/zinc/73/48/26/1086734826.db2.gz YIAGLAWMLULXTG-KESTWPANSA-N 1 1 360.505 4.443 20 30 FIEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000329220801 1086770618 /nfs/dbraw/zinc/77/06/18/1086770618.db2.gz BOPQTYFGAOCEOX-MRXNPFEDSA-N 1 1 369.513 4.069 20 30 FIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000583650390 1086901815 /nfs/dbraw/zinc/90/18/15/1086901815.db2.gz DVXUIPGQDRYKBE-HXUWFJFHSA-N 1 1 361.489 4.150 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246364927 1086916812 /nfs/dbraw/zinc/91/68/12/1086916812.db2.gz NOQLQHBEFBPTHM-ILWGZMRPSA-N 1 1 367.537 4.352 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C#N)c1C ZINC000247071841 1086981068 /nfs/dbraw/zinc/98/10/68/1086981068.db2.gz YKZPAEOZWYCUSM-IFIJOSMWSA-N 1 1 369.440 4.112 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C#N)c1C ZINC000247071841 1086981071 /nfs/dbraw/zinc/98/10/71/1086981071.db2.gz YKZPAEOZWYCUSM-IFIJOSMWSA-N 1 1 369.440 4.112 20 30 FIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000472309570 1087125419 /nfs/dbraw/zinc/12/54/19/1087125419.db2.gz CDTSSQNCBBVWQP-WBVHZDCISA-N 1 1 367.880 4.103 20 30 FIEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c2ccccc21 ZINC000278665574 1087208728 /nfs/dbraw/zinc/20/87/28/1087208728.db2.gz HZBJMWPCSCWUDT-AWEZNQCLSA-N 1 1 363.383 4.012 20 30 FIEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c2ccccc21 ZINC000278665574 1087208735 /nfs/dbraw/zinc/20/87/35/1087208735.db2.gz HZBJMWPCSCWUDT-AWEZNQCLSA-N 1 1 363.383 4.012 20 30 FIEDMO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(C#N)cc1Cl ZINC000584219334 1087222616 /nfs/dbraw/zinc/22/26/16/1087222616.db2.gz JHOOUHFOTXAWFG-TYFHEEPYSA-N 1 1 362.882 4.197 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187787218 1087311241 /nfs/dbraw/zinc/31/12/41/1087311241.db2.gz YVOKHGGNTRNHBD-ADLMAVQZSA-N 1 1 366.358 4.477 20 30 FIEDMO C[C@@H]1SCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000118421497 1087379572 /nfs/dbraw/zinc/37/95/72/1087379572.db2.gz QAEHSTZQTJZVJS-KSSFIOAISA-N 1 1 371.531 4.127 20 30 FIEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179093272 1087411410 /nfs/dbraw/zinc/41/14/10/1087411410.db2.gz SSCMXICQROJVFM-AWEZNQCLSA-N 1 1 351.397 4.413 20 30 FIEDMO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472330747 1087541053 /nfs/dbraw/zinc/54/10/53/1087541053.db2.gz WMJDJAWPDUMTGO-VGOFRKELSA-N 1 1 365.452 4.155 20 30 FIEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472330747 1087541057 /nfs/dbraw/zinc/54/10/57/1087541057.db2.gz WMJDJAWPDUMTGO-VGOFRKELSA-N 1 1 365.452 4.155 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001125755374 1087613252 /nfs/dbraw/zinc/61/32/52/1087613252.db2.gz IIQQVNCPGHXUFE-HXUWFJFHSA-N 1 1 364.489 4.492 20 30 FIEDMO N#CCCn1cc(C[N@@H+]2CCc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000093454220 1087690057 /nfs/dbraw/zinc/69/00/57/1087690057.db2.gz HVSJNSGJHGYLPT-UHFFFAOYSA-N 1 1 360.436 4.161 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000093454220 1087690058 /nfs/dbraw/zinc/69/00/58/1087690058.db2.gz HVSJNSGJHGYLPT-UHFFFAOYSA-N 1 1 360.436 4.161 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000548859463 1087713114 /nfs/dbraw/zinc/71/31/14/1087713114.db2.gz HMOZIYSSFDYYJL-UHFFFAOYSA-N 1 1 357.860 4.364 20 30 FIEDMO Cc1c(Cl)cnc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000612084933 1087749253 /nfs/dbraw/zinc/74/92/53/1087749253.db2.gz PAEKCMUEFXNMSD-QGZVFWFLSA-N 1 1 351.841 4.045 20 30 FIEDMO N#CCCn1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c(-c2ccccc2)n1 ZINC000424204276 1087844823 /nfs/dbraw/zinc/84/48/23/1087844823.db2.gz VGYVESCRNJLVKV-UNMCSNQZSA-N 1 1 360.436 4.191 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)s1 ZINC000180583931 1087972604 /nfs/dbraw/zinc/97/26/04/1087972604.db2.gz NRCZRWFNZQKYLZ-IBGZPJMESA-N 1 1 354.500 4.417 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000505001436 1088029103 /nfs/dbraw/zinc/02/91/03/1088029103.db2.gz TTXCPBAXGQZTAA-RXVVDRJESA-N 1 1 353.510 4.286 20 30 FIEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1[N+](=O)[O-] ZINC000181231799 1088268941 /nfs/dbraw/zinc/26/89/41/1088268941.db2.gz PSHBZAIGZJBZHB-LBPRGKRZSA-N 1 1 374.238 4.388 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000187817692 1088353628 /nfs/dbraw/zinc/35/36/28/1088353628.db2.gz RWIZEBVWHJSMCX-UHFFFAOYSA-N 1 1 362.408 4.318 20 30 FIEDMO C=CCOC(=O)[C@@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1)[C@@H](C)CC ZINC001167955199 1088553555 /nfs/dbraw/zinc/55/35/55/1088553555.db2.gz KKZMESWSRKCJFR-QKLQHJQFSA-N 1 1 359.514 4.012 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC1CC1 ZINC000514113562 1088761132 /nfs/dbraw/zinc/76/11/32/1088761132.db2.gz VPQDGMWBGQQXCX-UHFFFAOYSA-N 1 1 356.514 4.152 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](c2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000434621751 1088844824 /nfs/dbraw/zinc/84/48/24/1088844824.db2.gz WUAKRTNDXOOPOJ-IBGZPJMESA-N 1 1 357.429 4.175 20 30 FIEDMO CC(C)[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000434757020 1089024926 /nfs/dbraw/zinc/02/49/26/1089024926.db2.gz FBPLJUPNKKZJTN-UHFFFAOYSA-N 1 1 357.404 4.076 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434901759 1089121082 /nfs/dbraw/zinc/12/10/82/1089121082.db2.gz YWRKJFMVFVLINR-JQVVWYNYSA-N 1 1 361.489 4.200 20 30 FIEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434986211 1089184375 /nfs/dbraw/zinc/18/43/75/1089184375.db2.gz 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C=C(C)Cn1c(-c2sccc2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460588314 1089609552 /nfs/dbraw/zinc/60/95/52/1089609552.db2.gz XTPRFPQQJQRAOA-IRXDYDNUSA-N 1 1 373.570 4.200 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc1OC ZINC000425372682 1089623178 /nfs/dbraw/zinc/62/31/78/1089623178.db2.gz NYOSRFYDIBIAKR-JOCHJYFZSA-N 1 1 371.521 4.431 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000425376960 1089645603 /nfs/dbraw/zinc/64/56/03/1089645603.db2.gz YYHNYFGHOJEFRR-SFHVURJKSA-N 1 1 364.411 4.358 20 30 FIEDMO N#CCCCOc1cccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435748650 1089912101 /nfs/dbraw/zinc/91/21/01/1089912101.db2.gz PAJKMZITMJGENW-OAQYLSRUSA-N 1 1 355.526 4.256 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c1 ZINC000435748650 1089912104 /nfs/dbraw/zinc/91/21/04/1089912104.db2.gz PAJKMZITMJGENW-OAQYLSRUSA-N 1 1 355.526 4.256 20 30 FIEDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000515268049 1089928461 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C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(CC)cccc1CC ZINC000521687001 1092868224 /nfs/dbraw/zinc/86/82/24/1092868224.db2.gz ANGOQMGFEYMNRL-UHFFFAOYSA-N 1 1 350.506 4.481 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(CC)cccc1CC ZINC000521687001 1092868228 /nfs/dbraw/zinc/86/82/28/1092868228.db2.gz ANGOQMGFEYMNRL-UHFFFAOYSA-N 1 1 350.506 4.481 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000443067039 1092926864 /nfs/dbraw/zinc/92/68/64/1092926864.db2.gz KVPFHVYMRNCBGO-KRWDZBQOSA-N 1 1 365.477 4.115 20 30 FIEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(F)c1 ZINC000521821497 1092939375 /nfs/dbraw/zinc/93/93/75/1092939375.db2.gz GREFREKSYUBMOZ-UHFFFAOYSA-N 1 1 353.441 4.103 20 30 FIEDMO CC(C)[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000521822157 1092940633 /nfs/dbraw/zinc/94/06/33/1092940633.db2.gz BMTNYCSZKBRWAG-SFHVURJKSA-N 1 1 361.489 4.137 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000521822157 1092940634 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367.518 4.152 20 30 FIEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017079 1093537047 /nfs/dbraw/zinc/53/70/47/1093537047.db2.gz YUJKADIOUVTORU-MSOLQXFVSA-N 1 1 353.491 4.216 20 30 FIEDMO C[NH+](C)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1Cl ZINC000474214304 1093586285 /nfs/dbraw/zinc/58/62/85/1093586285.db2.gz ROOONSHJWGUQNM-FXAWDEMLSA-N 1 1 369.896 4.146 20 30 FIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(Br)cc1C#N ZINC001141816692 1093597535 /nfs/dbraw/zinc/59/75/35/1093597535.db2.gz HEBPAXVRAYTXNM-UHFFFAOYSA-N 1 1 359.267 4.351 20 30 FIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(Br)cc1C#N ZINC001141816692 1093597539 /nfs/dbraw/zinc/59/75/39/1093597539.db2.gz HEBPAXVRAYTXNM-UHFFFAOYSA-N 1 1 359.267 4.351 20 30 FIEDMO C=CCOc1ccccc1C[NH2+]Cc1c(OC)cccc1OC(F)(F)F ZINC000513032580 1093672630 /nfs/dbraw/zinc/67/26/30/1093672630.db2.gz MYYUAOVGTFUAIL-UHFFFAOYSA-N 1 1 367.367 4.448 20 30 FIEDMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000053139686 1093755682 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/nfs/dbraw/zinc/11/35/20/1094113520.db2.gz LDIBZMJWFSWCCP-IBGZPJMESA-N 1 1 363.461 4.057 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000513434562 1094122035 /nfs/dbraw/zinc/12/20/35/1094122035.db2.gz JWIPVAQFGDKAOF-YJBOKZPZSA-N 1 1 361.432 4.126 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000664213846 1094237657 /nfs/dbraw/zinc/23/76/57/1094237657.db2.gz RKJLLLITLLVSJF-VXNCWWDNSA-N 1 1 359.539 4.024 20 30 FIEDMO COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)cc1OCCCC#N ZINC000513701916 1094385063 /nfs/dbraw/zinc/38/50/63/1094385063.db2.gz BIJFQEDXUHJBEI-QGZVFWFLSA-N 1 1 350.462 4.497 20 30 FIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000501206579 1094559883 /nfs/dbraw/zinc/55/98/83/1094559883.db2.gz CVHMTZFYNALDIF-UHFFFAOYSA-N 1 1 373.456 4.346 20 30 FIEDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894998 1094609847 /nfs/dbraw/zinc/60/98/47/1094609847.db2.gz XJWKXALVIAQYFC-OAHLLOKOSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894998 1094609849 /nfs/dbraw/zinc/60/98/49/1094609849.db2.gz XJWKXALVIAQYFC-OAHLLOKOSA-N 1 1 371.278 4.319 20 30 FIEDMO CC(C)c1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nn1C(C)(C)C ZINC000329026154 1094715787 /nfs/dbraw/zinc/71/57/87/1094715787.db2.gz OAHXEPJNRAPAPX-IEBWSBKVSA-N 1 1 368.525 4.164 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3o2)C1 ZINC000329127977 1094749042 /nfs/dbraw/zinc/74/90/42/1094749042.db2.gz NEZOHQMCVKGAML-IYBDPMFKSA-N 1 1 357.498 4.473 20 30 FIEDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1OC1CCCC1 ZINC000329133991 1094752597 /nfs/dbraw/zinc/75/25/97/1094752597.db2.gz BMDCXXSEATXWOG-QGZVFWFLSA-N 1 1 372.509 4.338 20 30 FIEDMO Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2Cl)n[nH]1 ZINC000329174573 1094767884 /nfs/dbraw/zinc/76/78/84/1094767884.db2.gz BAHISHHQGJTJQW-QGZVFWFLSA-N 1 1 373.888 4.429 20 30 FIEDMO O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000329194234 1094775483 /nfs/dbraw/zinc/77/54/83/1094775483.db2.gz UOXGWRLJOMWWBP-FQEVSTJZSA-N 1 1 352.482 4.126 20 30 FIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141905071 1094863703 /nfs/dbraw/zinc/86/37/03/1094863703.db2.gz PKAYPRRZQZAIJM-AWEZNQCLSA-N 1 1 373.294 4.392 20 30 FIEDMO Cc1nc(C(C)(C)NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)no1 ZINC000329391074 1094877721 /nfs/dbraw/zinc/87/77/21/1094877721.db2.gz VHAHPLUNMIYFFJ-OAHLLOKOSA-N 1 1 371.485 4.076 20 30 FIEDMO COc1ccccc1-c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000329418282 1094891801 /nfs/dbraw/zinc/89/18/01/1094891801.db2.gz DRNWCPXECBLGMF-PMACEKPBSA-N 1 1 365.477 4.124 20 30 FIEDMO COc1ccccc1-c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000329418286 1094894140 /nfs/dbraw/zinc/89/41/40/1094894140.db2.gz DRNWCPXECBLGMF-VQTJNVASSA-N 1 1 365.477 4.124 20 30 FIEDMO COc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cn1 ZINC000329448540 1094911159 /nfs/dbraw/zinc/91/11/59/1094911159.db2.gz MKTRUDBNPHUODL-HNNXBMFYSA-N 1 1 354.454 4.185 20 30 FIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1)C1CCCC1 ZINC000329587028 1094984974 /nfs/dbraw/zinc/98/49/74/1094984974.db2.gz MQUOBTJIODCYPN-QZTJIDSGSA-N 1 1 374.529 4.327 20 30 FIEDMO CCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)O ZINC000513726314 1095024526 /nfs/dbraw/zinc/02/45/26/1095024526.db2.gz YRDSRPBMFYAXQL-UHFFFAOYSA-N 1 1 352.478 4.120 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCCc3occc3C2)c(C)c1 ZINC000329656056 1095058683 /nfs/dbraw/zinc/05/86/83/1095058683.db2.gz MMTVBKNRCHRFJA-HNNXBMFYSA-N 1 1 355.438 4.235 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCCc3occc3C2)c(C)c1 ZINC000329656056 1095058698 /nfs/dbraw/zinc/05/86/98/1095058698.db2.gz MMTVBKNRCHRFJA-HNNXBMFYSA-N 1 1 355.438 4.235 20 30 FIEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)n1 ZINC000329683777 1095120913 /nfs/dbraw/zinc/12/09/13/1095120913.db2.gz ZHAJRWPSNBUFNY-OAHLLOKOSA-N 1 1 356.495 4.224 20 30 FIEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)n1 ZINC000329683777 1095120938 /nfs/dbraw/zinc/12/09/38/1095120938.db2.gz ZHAJRWPSNBUFNY-OAHLLOKOSA-N 1 1 356.495 4.224 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCSC3(CCC3)CC2)c(-c2ccccc2)n1 ZINC000414479572 1095177074 /nfs/dbraw/zinc/17/70/74/1095177074.db2.gz RUDRMZYMCZBTEW-UHFFFAOYSA-N 1 1 366.534 4.325 20 30 FIEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000329839562 1095286907 /nfs/dbraw/zinc/28/69/07/1095286907.db2.gz WAZVZVYPHHKDGJ-XYPHTWIQSA-N 1 1 359.470 4.338 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C)c1 ZINC000329855634 1095293481 /nfs/dbraw/zinc/29/34/81/1095293481.db2.gz UELLUKYHQBZQJQ-CGTJXYLNSA-N 1 1 373.497 4.083 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C)c1 ZINC000329855634 1095293490 /nfs/dbraw/zinc/29/34/90/1095293490.db2.gz UELLUKYHQBZQJQ-CGTJXYLNSA-N 1 1 373.497 4.083 20 30 FIEDMO [O-]C(N[C@H](c1ccccc1F)C1CCCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897611 1095306247 /nfs/dbraw/zinc/30/62/47/1095306247.db2.gz LMFFINMDZXPLDA-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000329897611 1095306266 /nfs/dbraw/zinc/30/62/66/1095306266.db2.gz LMFFINMDZXPLDA-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO [O-]C(N[C@H](c1ccccc1F)C1CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897611 1095306280 /nfs/dbraw/zinc/30/62/80/1095306280.db2.gz LMFFINMDZXPLDA-YWZLYKJASA-N 1 1 370.472 4.020 20 30 FIEDMO CCc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cnn1-c1ccccc1C ZINC000329977347 1095335800 /nfs/dbraw/zinc/33/58/00/1095335800.db2.gz ZOWKHOOBMOORIE-KRWDZBQOSA-N 1 1 366.509 4.065 20 30 FIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000502320860 1095346267 /nfs/dbraw/zinc/34/62/67/1095346267.db2.gz NCBOAQGXINIUCV-LJQANCHMSA-N 1 1 351.494 4.164 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000330031729 1095357228 /nfs/dbraw/zinc/35/72/28/1095357228.db2.gz UFWRFWHSWGJTIP-IEBWSBKVSA-N 1 1 370.472 4.213 20 30 FIEDMO Cc1onc(-c2ccccc2C)c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000330034552 1095358282 /nfs/dbraw/zinc/35/82/82/1095358282.db2.gz WNEQVYDWLUFURQ-MRXNPFEDSA-N 1 1 353.466 4.280 20 30 FIEDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330229085 1095424943 /nfs/dbraw/zinc/42/49/43/1095424943.db2.gz CTRNAHAGXOFXBT-HNNXBMFYSA-N 1 1 366.889 4.075 20 30 FIEDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237186853 1095455890 /nfs/dbraw/zinc/45/58/90/1095455890.db2.gz XOSUZJSCCBYLCH-FCHUYYIVSA-N 1 1 363.505 4.100 20 30 FIEDMO Cc1cccc2nc(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)n(C)c21 ZINC000330300317 1095475466 /nfs/dbraw/zinc/47/54/66/1095475466.db2.gz NBDYNNXLFMOHMH-GOSISDBHSA-N 1 1 354.498 4.135 20 30 FIEDMO O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330301556 1095476830 /nfs/dbraw/zinc/47/68/30/1095476830.db2.gz NWDLNRSEAFEQOY-FQEVSTJZSA-N 1 1 370.472 4.265 20 30 FIEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421320087 1095517914 /nfs/dbraw/zinc/51/79/14/1095517914.db2.gz AARYVFVGCNQSQS-KRWDZBQOSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421320087 1095517928 /nfs/dbraw/zinc/51/79/28/1095517928.db2.gz AARYVFVGCNQSQS-KRWDZBQOSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000121216058 1095603190 /nfs/dbraw/zinc/60/31/90/1095603190.db2.gz JJYMPTYRQZECJP-DYESRHJHSA-N 1 1 362.477 4.075 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC12CC3CC(CC(C3)C1)C2 ZINC000027782608 1095673152 /nfs/dbraw/zinc/67/31/52/1095673152.db2.gz ZTQNWOZMCDCRLI-UHFFFAOYSA-N 1 1 357.523 4.097 20 30 FIEDMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OCCCC#N ZINC000414535287 1095749530 /nfs/dbraw/zinc/74/95/30/1095749530.db2.gz WBDUAENFJVQEBD-NRFANRHFSA-N 1 1 372.509 4.015 20 30 FIEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000456113403 1095856019 /nfs/dbraw/zinc/85/60/19/1095856019.db2.gz NBMBHMJXNOAYEE-UHFFFAOYSA-N 1 1 357.479 4.111 20 30 FIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)Nc1sccc1C#N ZINC000444239276 1095900481 /nfs/dbraw/zinc/90/04/81/1095900481.db2.gz MCUFEKSNXWYPRH-GOSISDBHSA-N 1 1 355.507 4.210 20 30 FIEDMO C=CCCCN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522983542 1095931768 /nfs/dbraw/zinc/93/17/68/1095931768.db2.gz VMVSQTSHIQADQN-KDURUIRLSA-N 1 1 357.542 4.272 20 30 FIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(OCC#N)cc1 ZINC000271869020 1096134828 /nfs/dbraw/zinc/13/48/28/1096134828.db2.gz MCBKSSKIZZXUFC-GFCCVEGCSA-N 1 1 350.340 4.180 20 30 FIEDMO C=C(C)C[N@H+](CC)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000058754380 1096179784 /nfs/dbraw/zinc/17/97/84/1096179784.db2.gz NSTHWYPQERCEDV-UHFFFAOYSA-N 1 1 350.506 4.223 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000272660555 1096200031 /nfs/dbraw/zinc/20/00/31/1096200031.db2.gz IIVJIMAPEFMUBO-KRWDZBQOSA-N 1 1 365.477 4.462 20 30 FIEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000503193643 1096296451 /nfs/dbraw/zinc/29/64/51/1096296451.db2.gz KKMRMIVKZBXIKU-SFHVURJKSA-N 1 1 363.505 4.139 20 30 FIEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000503193643 1096296458 /nfs/dbraw/zinc/29/64/58/1096296458.db2.gz KKMRMIVKZBXIKU-SFHVURJKSA-N 1 1 363.505 4.139 20 30 FIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000503354896 1096365923 /nfs/dbraw/zinc/36/59/23/1096365923.db2.gz VQMFZVIZIJSGHC-NRFANRHFSA-N 1 1 361.489 4.106 20 30 FIEDMO CC[C@H]([NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423380375 1096660793 /nfs/dbraw/zinc/66/07/93/1096660793.db2.gz YNMQHWROBRSAQK-QMMLZNLJSA-N 1 1 355.432 4.023 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000515547366 1098688190 /nfs/dbraw/zinc/68/81/90/1098688190.db2.gz QKCVEJZPVIVEBO-UWJYYQICSA-N 1 1 359.897 4.467 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000533280303 1098943702 /nfs/dbraw/zinc/94/37/02/1098943702.db2.gz MJWGKTXKYOERJF-RBUKOAKNSA-N 1 1 360.379 4.113 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000425529568 1098978400 /nfs/dbraw/zinc/97/84/00/1098978400.db2.gz CAQQQPFTYYFHRG-CQSZACIVSA-N 1 1 366.852 4.497 20 30 FIEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000505842250 1099070196 /nfs/dbraw/zinc/07/01/96/1099070196.db2.gz GIWUBYHNPTUBSQ-NRFANRHFSA-N 1 1 356.473 4.338 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C#N ZINC000533559411 1099170005 /nfs/dbraw/zinc/17/00/05/1099170005.db2.gz OAAQUQJAIGHEEZ-OAHLLOKOSA-N 1 1 365.408 4.227 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000425635218 1099351292 /nfs/dbraw/zinc/35/12/92/1099351292.db2.gz IHBLUMHNLZYFNA-IFXJQAMLSA-N 1 1 355.869 4.034 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000437136452 1099634293 /nfs/dbraw/zinc/63/42/93/1099634293.db2.gz KALLUHXQHFKVJS-LJQANCHMSA-N 1 1 372.415 4.032 20 30 FIEDMO C=CCn1c(-c2ccccc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508683793 1099818569 /nfs/dbraw/zinc/81/85/69/1099818569.db2.gz VPGHOZXAYBWIOA-UHFFFAOYSA-N 1 1 367.541 4.079 20 30 FIEDMO Cc1ccsc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506055465 1099937925 /nfs/dbraw/zinc/93/79/25/1099937925.db2.gz KHTUUNZYUHOKEW-UHFFFAOYSA-N 1 1 350.491 4.466 20 30 FIEDMO C=CCOc1cccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000506128537 1100175515 /nfs/dbraw/zinc/17/55/15/1100175515.db2.gz HKGZSKGNRGXPDD-UHFFFAOYSA-N 1 1 363.461 4.144 20 30 FIEDMO CCN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000506131513 1100200930 /nfs/dbraw/zinc/20/09/30/1100200930.db2.gz OFZVZOCGVWJGQB-UHFFFAOYSA-N 1 1 357.457 4.196 20 30 FIEDMO CCN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000506131513 1100200944 /nfs/dbraw/zinc/20/09/44/1100200944.db2.gz OFZVZOCGVWJGQB-UHFFFAOYSA-N 1 1 357.457 4.196 20 30 FIEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](Cc3ccccc3)C(F)F)C2)c(F)c1 ZINC000536703557 1100209254 /nfs/dbraw/zinc/20/92/54/1100209254.db2.gz UHVGDXHFXIWXCC-IEBWSBKVSA-N 1 1 373.422 4.132 20 30 FIEDMO N#CC1(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CCCCC1 ZINC000517316887 1100287557 /nfs/dbraw/zinc/28/75/57/1100287557.db2.gz LCCYFSBOMVRXOD-XMSQKQJNSA-N 1 1 368.525 4.240 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662069 1100409328 /nfs/dbraw/zinc/40/93/28/1100409328.db2.gz MYQBAPZEPZNONH-WMLDXEAASA-N 1 1 352.400 4.300 20 30 FIEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCCCOc3ccccc3)CCO2)c1 ZINC000438126420 1100446337 /nfs/dbraw/zinc/44/63/37/1100446337.db2.gz KCWVDHLROMGVPG-QFIPXVFZSA-N 1 1 350.462 4.181 20 30 FIEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCCCOc3ccccc3)CCO2)c1 ZINC000438126420 1100446345 /nfs/dbraw/zinc/44/63/45/1100446345.db2.gz KCWVDHLROMGVPG-QFIPXVFZSA-N 1 1 350.462 4.181 20 30 FIEDMO C[C@@H]1CCCC[N@@H+]1CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000517537232 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350.481 4.162 20 30 FIEDMO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000517835913 1100712459 /nfs/dbraw/zinc/71/24/59/1100712459.db2.gz OVKUPBCQVSDHTN-FQEVSTJZSA-N 1 1 373.516 4.216 20 30 FIEDMO C=CCn1c(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000550009356 1101024853 /nfs/dbraw/zinc/02/48/53/1101024853.db2.gz JJCORFWMTUWQHD-KRWDZBQOSA-N 1 1 366.490 4.091 20 30 FIEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nc(C)cs1 ZINC000437908827 1101340697 /nfs/dbraw/zinc/34/06/97/1101340697.db2.gz XDQIPZRSSOYADT-KRWDZBQOSA-N 1 1 351.422 4.340 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326617 1101347797 /nfs/dbraw/zinc/34/77/97/1101347797.db2.gz JUWMPCVPHIXVGX-OXJNMPFZSA-N 1 1 358.445 4.376 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(C#N)c2C)CC1)CC(C)C ZINC000536940811 1101350812 /nfs/dbraw/zinc/35/08/12/1101350812.db2.gz GGJIIFQDYOZPEF-UHFFFAOYSA-N 1 1 370.541 4.479 20 30 FIEDMO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000426362483 1101372202 /nfs/dbraw/zinc/37/22/02/1101372202.db2.gz BBIOUQYJEZLXTJ-UHFFFAOYSA-N 1 1 372.390 4.077 20 30 FIEDMO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000426362483 1101372211 /nfs/dbraw/zinc/37/22/11/1101372211.db2.gz BBIOUQYJEZLXTJ-UHFFFAOYSA-N 1 1 372.390 4.077 20 30 FIEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000518722887 1101472385 /nfs/dbraw/zinc/47/23/85/1101472385.db2.gz UWLGMVGEWWWFKT-OAQYLSRUSA-N 1 1 370.541 4.133 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000475747214 1101576528 /nfs/dbraw/zinc/57/65/28/1101576528.db2.gz IFJUIEFXPCVOFE-WCXIOVBPSA-N 1 1 359.539 4.243 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000506631006 1101604326 /nfs/dbraw/zinc/60/43/26/1101604326.db2.gz GWJPQVMZSCFMPB-JOCHJYFZSA-N 1 1 364.489 4.095 20 30 FIEDMO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537407349 1101752916 /nfs/dbraw/zinc/75/29/16/1101752916.db2.gz 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C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)c1 ZINC000506804621 1102139467 /nfs/dbraw/zinc/13/94/67/1102139467.db2.gz CNMVAGHNZDCBCO-UHFFFAOYSA-N 1 1 356.491 4.044 20 30 FIEDMO O[C@H](C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccsc1 ZINC001168191403 1102242510 /nfs/dbraw/zinc/24/25/10/1102242510.db2.gz CRBRXQPVLWDSEN-JOCHJYFZSA-N 1 1 365.473 4.475 20 30 FIEDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1)C1CC1 ZINC000476559254 1102344546 /nfs/dbraw/zinc/34/45/46/1102344546.db2.gz ISSNEYHUSYTCIC-UHFFFAOYSA-N 1 1 361.489 4.377 20 30 FIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC001168201156 1102362351 /nfs/dbraw/zinc/36/23/51/1102362351.db2.gz JGISENOVUREFEU-ILXRZTDVSA-N 1 1 359.539 4.051 20 30 FIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC001168201160 1102363051 /nfs/dbraw/zinc/36/30/51/1102363051.db2.gz JGISENOVUREFEU-RBSFLKMASA-N 1 1 359.539 4.051 20 30 FIEDMO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000440450062 1102416876 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CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000426779496 1102982499 /nfs/dbraw/zinc/98/24/99/1102982499.db2.gz INENTQHQNDOSBO-BWACUDIHSA-N 1 1 356.297 4.087 20 30 FIEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000575962053 1102996486 /nfs/dbraw/zinc/99/64/86/1102996486.db2.gz WPYXJVYJJKKKGD-ZDUSSCGKSA-N 1 1 351.397 4.413 20 30 FIEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000575962053 1102996490 /nfs/dbraw/zinc/99/64/90/1102996490.db2.gz WPYXJVYJJKKKGD-ZDUSSCGKSA-N 1 1 351.397 4.413 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2C)no1 ZINC001211975370 1103132095 /nfs/dbraw/zinc/13/20/95/1103132095.db2.gz FJVKYIKAOUGBRN-WMZOPIPTSA-N 1 1 361.461 4.262 20 30 FIEDMO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001211975664 1103134458 /nfs/dbraw/zinc/13/44/58/1103134458.db2.gz NDOLFJQGHPHIRB-OALUTQOASA-N 1 1 371.481 4.017 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001211975664 1103134464 /nfs/dbraw/zinc/13/44/64/1103134464.db2.gz NDOLFJQGHPHIRB-OALUTQOASA-N 1 1 371.481 4.017 20 30 FIEDMO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000427019719 1103189054 /nfs/dbraw/zinc/18/90/54/1103189054.db2.gz NLNQHIPRDVXPEJ-UHFFFAOYSA-N 1 1 353.409 4.267 20 30 FIEDMO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000427019719 1103189065 /nfs/dbraw/zinc/18/90/65/1103189065.db2.gz NLNQHIPRDVXPEJ-UHFFFAOYSA-N 1 1 353.409 4.267 20 30 FIEDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000427019820 1103189219 /nfs/dbraw/zinc/18/92/19/1103189219.db2.gz CEFGQVPREQAJCC-OAHLLOKOSA-N 1 1 359.520 4.382 20 30 FIEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000427019820 1103189224 /nfs/dbraw/zinc/18/92/24/1103189224.db2.gz CEFGQVPREQAJCC-OAHLLOKOSA-N 1 1 359.520 4.382 20 30 FIEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000507241880 1103236016 /nfs/dbraw/zinc/23/60/16/1103236016.db2.gz BRUJOCVSHABPOI-STQMWFEESA-N 1 1 371.294 4.052 20 30 FIEDMO N#Cc1cccc(OCCC[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000477283790 1103311939 /nfs/dbraw/zinc/31/19/39/1103311939.db2.gz SFXSNUQPKLHBBU-UHFFFAOYSA-N 1 1 364.489 4.256 20 30 FIEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000477393246 1103434469 /nfs/dbraw/zinc/43/44/69/1103434469.db2.gz NAKYFHHQZMMUBB-SFHVURJKSA-N 1 1 369.484 4.044 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cscc2C#N)c1 ZINC000551797801 1103676236 /nfs/dbraw/zinc/67/62/36/1103676236.db2.gz KKVNUIZGQRPRCC-UHFFFAOYSA-N 1 1 355.507 4.172 20 30 FIEDMO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C#N ZINC001270803180 1103717783 /nfs/dbraw/zinc/71/77/83/1103717783.db2.gz IJJUBFOXBDDGEG-YYWHXJBOSA-N 1 1 353.510 4.063 20 30 FIEDMO CC1(c2ccc(Br)cc2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000440529856 1103760645 /nfs/dbraw/zinc/76/06/45/1103760645.db2.gz IRMDISXGGSZHMK-HNNXBMFYSA-N 1 1 360.299 4.246 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000551947687 1103801266 /nfs/dbraw/zinc/80/12/66/1103801266.db2.gz FBVCISCAQFTMDI-SFHVURJKSA-N 1 1 355.445 4.072 20 30 FIEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460555144 1103883645 /nfs/dbraw/zinc/88/36/45/1103883645.db2.gz FCUGRVHMMJTVKA-LJQANCHMSA-N 1 1 367.541 4.080 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000538212945 1104036346 /nfs/dbraw/zinc/03/63/46/1104036346.db2.gz DBEIBNJAXHHWPF-BWACUDIHSA-N 1 1 356.297 4.087 20 30 FIEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000520172341 1104141919 /nfs/dbraw/zinc/14/19/19/1104141919.db2.gz BZNYIRBGRLSVQM-IFMALSPDSA-N 1 1 352.478 4.161 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000112544273 1104370401 /nfs/dbraw/zinc/37/04/01/1104370401.db2.gz ZNXMKZDKNBHWPS-HOCLYGCPSA-N 1 1 363.552 4.157 20 30 FIEDMO C[C@@H]1C[C@H](CCNC(=O)[C@]2(C)CCC(=O)NC2)C[N@H+]1Cc1ccccc1 ZINC000328632048 1104522538 /nfs/dbraw/zinc/52/25/38/1104522538.db2.gz 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CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330546351 1104641941 /nfs/dbraw/zinc/64/19/41/1104641941.db2.gz CGNAWXOAZAJIGT-CYBMUJFWSA-N 1 1 374.451 4.082 20 30 FIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000441661054 1105074163 /nfs/dbraw/zinc/07/41/63/1105074163.db2.gz JMTSFYRKQBACAV-KRWDZBQOSA-N 1 1 359.539 4.338 20 30 FIEDMO COc1cc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc(OC)c1 ZINC000508026904 1105304988 /nfs/dbraw/zinc/30/49/88/1105304988.db2.gz OVFZYDUEIZVNLU-UHFFFAOYSA-N 1 1 354.450 4.018 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c(OC(F)F)c1 ZINC000450927486 1106820262 /nfs/dbraw/zinc/82/02/62/1106820262.db2.gz CFBNLBXVFTXQQE-UHFFFAOYSA-N 1 1 361.367 4.015 20 30 FIEDMO C[C@H]1C[C@H](N(C)CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000193062364 1107082301 /nfs/dbraw/zinc/08/23/01/1107082301.db2.gz RSXCBYQIXYYVDM-NZQKXSOJSA-N 1 1 361.533 4.301 20 30 FIEDMO C[C@H]1C[C@H]([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000193062364 1107082316 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1109518395 /nfs/dbraw/zinc/51/83/95/1109518395.db2.gz PCDYHFCWXSDJNI-UHFFFAOYSA-N 1 1 362.408 4.127 20 30 FIEDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000447688731 1109621351 /nfs/dbraw/zinc/62/13/51/1109621351.db2.gz HWPQYZRNBGZXSW-UHFFFAOYSA-N 1 1 361.367 4.328 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(OCc2cccnc2)c1 ZINC000447798591 1109643809 /nfs/dbraw/zinc/64/38/09/1109643809.db2.gz YMUGRMJDVYVFHU-UHFFFAOYSA-N 1 1 373.456 4.173 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000526941895 1109651539 /nfs/dbraw/zinc/65/15/39/1109651539.db2.gz UXBLTDGIMIEIGW-INIZCTEOSA-N 1 1 368.550 4.191 20 30 FIEDMO CC[N@H+](Cc1c(OC)cc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605940 1109685301 /nfs/dbraw/zinc/68/53/01/1109685301.db2.gz UCCXLONWFPEDHC-HNNXBMFYSA-N 1 1 354.450 4.167 20 30 FIEDMO CC[N@@H+](Cc1c(OC)cc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605940 1109685303 /nfs/dbraw/zinc/68/53/03/1109685303.db2.gz UCCXLONWFPEDHC-HNNXBMFYSA-N 1 1 354.450 4.167 20 30 FIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc(Br)cc1F ZINC000527718817 1109817045 /nfs/dbraw/zinc/81/70/45/1109817045.db2.gz GMGCKAMRVINBEA-INIZCTEOSA-N 1 1 360.230 4.022 20 30 FIEDMO C=CCOc1ccc(CC(=O)Nc2cccc3c2C[N@H+](CCC)C3)cc1 ZINC000448887443 1109930976 /nfs/dbraw/zinc/93/09/76/1109930976.db2.gz PZOUGKVBYFHVGY-UHFFFAOYSA-N 1 1 350.462 4.158 20 30 FIEDMO C=CCOc1ccc(CC(=O)Nc2cccc3c2C[N@@H+](CCC)C3)cc1 ZINC000448887443 1109930978 /nfs/dbraw/zinc/93/09/78/1109930978.db2.gz PZOUGKVBYFHVGY-UHFFFAOYSA-N 1 1 350.462 4.158 20 30 FIEDMO N#Cc1cccc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1F ZINC000528578293 1110034415 /nfs/dbraw/zinc/03/44/15/1110034415.db2.gz PHGNTDOWZCUWIW-UHFFFAOYSA-N 1 1 368.456 4.193 20 30 FIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c(OC)c1 ZINC000528672352 1110070889 /nfs/dbraw/zinc/07/08/89/1110070889.db2.gz GZTCRWWKAKYMSD-LBPRGKRZSA-N 1 1 362.376 4.028 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457784 1110077274 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368.506 4.133 20 30 FIEDMO C=CC[C@H]1N(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CCCC1(C)C ZINC000462218106 1111546570 /nfs/dbraw/zinc/54/65/70/1111546570.db2.gz LDOBJCVKRBITHG-LJQANCHMSA-N 1 1 370.541 4.267 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000552838159 1111825547 /nfs/dbraw/zinc/82/55/47/1111825547.db2.gz KQUHHAPZGPTNHQ-AWEZNQCLSA-N 1 1 372.266 4.014 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000553106178 1111908449 /nfs/dbraw/zinc/90/84/49/1111908449.db2.gz SYXLBPAPWYPJJZ-APWZRJJASA-N 1 1 374.410 4.467 20 30 FIEDMO Cc1nsc(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143949 1111917020 /nfs/dbraw/zinc/91/70/20/1111917020.db2.gz UFMVUAVZJGZZHG-WBMJQRKESA-N 1 1 364.877 4.221 20 30 FIEDMO Cc1nsc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143949 1111917021 /nfs/dbraw/zinc/91/70/21/1111917021.db2.gz UFMVUAVZJGZZHG-WBMJQRKESA-N 1 1 364.877 4.221 20 30 FIEDMO COc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2ccccc2OC)cc1 ZINC000479490632 1112044449 /nfs/dbraw/zinc/04/44/49/1112044449.db2.gz QAZNTIUUDXIAAX-XMMPIXPASA-N 1 1 357.453 4.435 20 30 FIEDMO C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000553867817 1112115607 /nfs/dbraw/zinc/11/56/07/1112115607.db2.gz ZKISDAHWKMXBIY-GOSISDBHSA-N 1 1 373.500 4.172 20 30 FIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000553909882 1112128123 /nfs/dbraw/zinc/12/81/23/1112128123.db2.gz UYEOXSCGUKMVJW-UGSOOPFHSA-N 1 1 356.267 4.299 20 30 FIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000553909882 1112128125 /nfs/dbraw/zinc/12/81/25/1112128125.db2.gz UYEOXSCGUKMVJW-UGSOOPFHSA-N 1 1 356.267 4.299 20 30 FIEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H](C)C1 ZINC000554126564 1112214018 /nfs/dbraw/zinc/21/40/18/1112214018.db2.gz DDRWMOAZNFXTIC-YZZKKUAISA-N 1 1 373.500 4.028 20 30 FIEDMO C=CC1CCN(C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CC1 ZINC000667610416 1112259229 /nfs/dbraw/zinc/25/92/29/1112259229.db2.gz CYPPJCPKDVXHIW-UHFFFAOYSA-N 1 1 370.522 4.320 20 30 FIEDMO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCC1 ZINC000480510612 1112453952 /nfs/dbraw/zinc/45/39/52/1112453952.db2.gz IUTMINHUKCMIRR-UHFFFAOYSA-N 1 1 351.288 4.196 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000554969483 1112598452 /nfs/dbraw/zinc/59/84/52/1112598452.db2.gz MRFCTGMEOOLNAE-UHFFFAOYSA-N 1 1 356.351 4.053 20 30 FIEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCCC1 ZINC000600172949 1112912586 /nfs/dbraw/zinc/91/25/86/1112912586.db2.gz KCSIQYVOJRHIQG-UHFFFAOYSA-N 1 1 365.300 4.074 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000555541870 1112917855 /nfs/dbraw/zinc/91/78/55/1112917855.db2.gz CCJYBBRAYHTRQB-SUMWQHHRSA-N 1 1 364.262 4.463 20 30 FIEDMO N#Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000600229329 1112933673 /nfs/dbraw/zinc/93/36/73/1112933673.db2.gz JEDPEZCAQVFWIC-CQSZACIVSA-N 1 1 366.292 4.002 20 30 FIEDMO 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C#CCCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001127184996 1115695342 /nfs/dbraw/zinc/69/53/42/1115695342.db2.gz QNITZRWYWKICEM-BJKOFHAPSA-N 1 1 374.528 4.130 20 30 FIEDMO CC[C@](C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1 ZINC000602922682 1115733884 /nfs/dbraw/zinc/73/38/84/1115733884.db2.gz BKPJJMGLDVKBQG-FQEVSTJZSA-N 1 1 350.397 4.162 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000598621038 1115740222 /nfs/dbraw/zinc/74/02/22/1115740222.db2.gz QWLCRDQPBPIMTF-YOEHRIQHSA-N 1 1 360.889 4.044 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000598621038 1115740227 /nfs/dbraw/zinc/74/02/27/1115740227.db2.gz QWLCRDQPBPIMTF-YOEHRIQHSA-N 1 1 360.889 4.044 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c2)c1 ZINC000593695415 1115799363 /nfs/dbraw/zinc/79/93/63/1115799363.db2.gz OKRAXQIEPZNYGY-HXUWFJFHSA-N 1 1 354.400 4.368 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)C1 ZINC000603855859 1115821875 /nfs/dbraw/zinc/82/18/75/1115821875.db2.gz AKSQXDLVERLYLK-QGZVFWFLSA-N 1 1 360.505 4.286 20 30 FIEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526837 1115822881 /nfs/dbraw/zinc/82/28/81/1115822881.db2.gz USALLRSKRWAJMP-KRWDZBQOSA-N 1 1 374.307 4.082 20 30 FIEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526837 1115822883 /nfs/dbraw/zinc/82/28/83/1115822883.db2.gz USALLRSKRWAJMP-KRWDZBQOSA-N 1 1 374.307 4.082 20 30 FIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1 ZINC000599526513 1115822987 /nfs/dbraw/zinc/82/29/87/1115822987.db2.gz NYFSJCACRCVTAL-INWMFGNUSA-N 1 1 351.313 4.308 20 30 FIEDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000599636472 1115833526 /nfs/dbraw/zinc/83/35/26/1115833526.db2.gz OVMTYEJSSYSEAP-WBVHZDCISA-N 1 1 365.315 4.195 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599738718 1115841424 /nfs/dbraw/zinc/84/14/24/1115841424.db2.gz XOWNXDLBAJBVPW-WBVHZDCISA-N 1 1 372.538 4.077 20 30 FIEDMO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604122626 1115850433 /nfs/dbraw/zinc/85/04/33/1115850433.db2.gz WTUJKFPEETVUKU-INIZCTEOSA-N 1 1 372.472 4.460 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)C)c1C#N ZINC000604435562 1115865452 /nfs/dbraw/zinc/86/54/52/1115865452.db2.gz ZNIHBJLDPZFICL-LJQANCHMSA-N 1 1 356.514 4.151 20 30 FIEDMO CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000604494839 1115867980 /nfs/dbraw/zinc/86/79/80/1115867980.db2.gz VSPKAYXUFZHYAZ-UHFFFAOYSA-N 1 1 359.470 4.246 20 30 FIEDMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000171769667 1115874944 /nfs/dbraw/zinc/87/49/44/1115874944.db2.gz DIDZFRZHJWMPSS-UHFFFAOYSA-N 1 1 366.852 4.026 20 30 FIEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000605738771 1115916645 /nfs/dbraw/zinc/91/66/45/1115916645.db2.gz RWCDXIZUYQYLJQ-JOCHJYFZSA-N 1 1 354.469 4.272 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000173808294 1116090782 /nfs/dbraw/zinc/09/07/82/1116090782.db2.gz NYEIRBAXPXXPRV-HZPDHXFCSA-N 1 1 371.431 4.259 20 30 FIEDMO CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000534065554 1116155100 /nfs/dbraw/zinc/15/51/00/1116155100.db2.gz XQJFMUOZKICJRP-PGRDOPGGSA-N 1 1 361.489 4.050 20 30 FIEDMO Cc1cc(F)ccc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000428758913 1116174139 /nfs/dbraw/zinc/17/41/39/1116174139.db2.gz NMWRFHWYIMZOLM-INIZCTEOSA-N 1 1 365.452 4.212 20 30 FIEDMO C[N@@H+](CCCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000534601320 1116216311 /nfs/dbraw/zinc/21/63/11/1116216311.db2.gz NIXXLZGEVAMSCV-UHFFFAOYSA-N 1 1 369.896 4.151 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3ccsc3C2)c1 ZINC000534864063 1116246791 /nfs/dbraw/zinc/24/67/91/1116246791.db2.gz UYFGMACCKZHQNL-KRWDZBQOSA-N 1 1 367.518 4.058 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3ccsc3C2)c1 ZINC000534864063 1116246793 /nfs/dbraw/zinc/24/67/93/1116246793.db2.gz 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C[N@@H+](CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000547429395 1116290415 /nfs/dbraw/zinc/29/04/15/1116290415.db2.gz JQTXOIKVFSBQDZ-MRXNPFEDSA-N 1 1 368.308 4.329 20 30 FIEDMO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1OC ZINC000539820425 1116385074 /nfs/dbraw/zinc/38/50/74/1116385074.db2.gz JNPOLESVUIJNTK-WOJBJXKFSA-N 1 1 350.462 4.366 20 30 FIEDMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1OC ZINC000539820425 1116385076 /nfs/dbraw/zinc/38/50/76/1116385076.db2.gz JNPOLESVUIJNTK-WOJBJXKFSA-N 1 1 350.462 4.366 20 30 FIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)c1C ZINC000462762051 1117752329 /nfs/dbraw/zinc/75/23/29/1117752329.db2.gz OKUVUTYZCDMVGN-UHFFFAOYSA-N 1 1 362.458 4.092 20 30 FIEDMO C=CC[N@H+](C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000540058657 1117847587 /nfs/dbraw/zinc/84/75/87/1117847587.db2.gz URDPJIWFCHKWEH-PKTZIBPZSA-N 1 1 351.490 4.112 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000463037838 1117931345 /nfs/dbraw/zinc/93/13/45/1117931345.db2.gz OLVUDPBZLJAJNZ-GOSISDBHSA-N 1 1 358.388 4.261 20 30 FIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCCSCC#N ZINC000428803416 1117962912 /nfs/dbraw/zinc/96/29/12/1117962912.db2.gz RAMIVWGCAZKZBY-BBRMVZONSA-N 1 1 358.429 4.114 20 30 FIEDMO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCCSCC#N ZINC000428803416 1117962915 /nfs/dbraw/zinc/96/29/15/1117962915.db2.gz RAMIVWGCAZKZBY-BBRMVZONSA-N 1 1 358.429 4.114 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000540416283 1118041975 /nfs/dbraw/zinc/04/19/75/1118041975.db2.gz KCSAINICLVMWHC-JOCHJYFZSA-N 1 1 358.441 4.477 20 30 FIEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccc(OC)cc1 ZINC000540506166 1118096803 /nfs/dbraw/zinc/09/68/03/1118096803.db2.gz XFGZGNUXFSLAIG-UHFFFAOYSA-N 1 1 353.491 4.345 20 30 FIEDMO Oc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000463411611 1118139229 /nfs/dbraw/zinc/13/92/29/1118139229.db2.gz FADRMISBNHKSCP-UHFFFAOYSA-N 1 1 357.375 4.310 20 30 FIEDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000463411611 1118139233 /nfs/dbraw/zinc/13/92/33/1118139233.db2.gz FADRMISBNHKSCP-UHFFFAOYSA-N 1 1 357.375 4.310 20 30 FIEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000541529403 1118544821 /nfs/dbraw/zinc/54/48/21/1118544821.db2.gz BJYYFJPVKUSHMV-FQEVSTJZSA-N 1 1 367.880 4.029 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000464723845 1118671549 /nfs/dbraw/zinc/67/15/49/1118671549.db2.gz DBTJXLJGXPQEKZ-UWJYYQICSA-N 1 1 365.452 4.155 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000464723845 1118671552 /nfs/dbraw/zinc/67/15/52/1118671552.db2.gz DBTJXLJGXPQEKZ-UWJYYQICSA-N 1 1 365.452 4.155 20 30 FIEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000464740977 1118680409 /nfs/dbraw/zinc/68/04/09/1118680409.db2.gz RFILVJUPPQGQOP-YOEHRIQHSA-N 1 1 359.539 4.338 20 30 FIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1C 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C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cccs1 ZINC000173759830 1119068863 /nfs/dbraw/zinc/06/88/63/1119068863.db2.gz DEPKBANXYDBXSG-OAHLLOKOSA-N 1 1 373.547 4.255 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cccs1 ZINC000173758319 1119069040 /nfs/dbraw/zinc/06/90/40/1119069040.db2.gz QLIGAIJKDCMINC-HNNXBMFYSA-N 1 1 373.547 4.113 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cccs1 ZINC000173758319 1119069044 /nfs/dbraw/zinc/06/90/44/1119069044.db2.gz QLIGAIJKDCMINC-HNNXBMFYSA-N 1 1 373.547 4.113 20 30 FIEDMO C=CCCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000175441513 1119206812 /nfs/dbraw/zinc/20/68/12/1119206812.db2.gz NTNPLNPUBGRZOQ-UHFFFAOYSA-N 1 1 368.443 4.485 20 30 FIEDMO C[N@H+](Cc1cccc2[nH]ccc21)Cc1cc(C#N)ccc1Br ZINC000494127253 1119541726 /nfs/dbraw/zinc/54/17/26/1119541726.db2.gz QCUUUGQMUHZBHQ-UHFFFAOYSA-N 1 1 354.251 4.434 20 30 FIEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1cc(C#N)ccc1Br ZINC000494127253 1119541729 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C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000494269152 1119816623 /nfs/dbraw/zinc/81/66/23/1119816623.db2.gz VSGXVQFBNGTXTI-XNTDXEJSSA-N 1 1 353.853 4.185 20 30 FIEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000609204356 1119860748 /nfs/dbraw/zinc/86/07/48/1119860748.db2.gz JLVIXZHFFIRZLD-HOTGVXAUSA-N 1 1 361.917 4.486 20 30 FIEDMO COc1cccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc2Cl)c1 ZINC000191189199 1119964180 /nfs/dbraw/zinc/96/41/80/1119964180.db2.gz NMXNVRWJNVBFSV-NRFANRHFSA-N 1 1 365.864 4.438 20 30 FIEDMO N#CC1CC[NH+](Cc2c[nH]c3cc(Cl)cc(Br)c23)CC1 ZINC001234450370 1120146239 /nfs/dbraw/zinc/14/62/39/1120146239.db2.gz BIAONAMNBSZRJL-UHFFFAOYSA-N 1 1 352.663 4.319 20 30 FIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H](C)Cc3cccc(F)c3)C2)CC1 ZINC001168476256 1120443742 /nfs/dbraw/zinc/44/37/42/1120443742.db2.gz RHEQJYVXGYMSPR-GOSISDBHSA-N 1 1 374.500 4.257 20 30 FIEDMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000153290831 1120455295 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CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763236670 1121301144 /nfs/dbraw/zinc/30/11/44/1121301144.db2.gz SBEMJDCBFIZALG-IBGZPJMESA-N 1 1 373.294 4.265 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916151380 1121434416 /nfs/dbraw/zinc/43/44/16/1121434416.db2.gz GVJLBSJBZBLAFP-LJQANCHMSA-N 1 1 361.489 4.169 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000916151380 1121434419 /nfs/dbraw/zinc/43/44/19/1121434419.db2.gz GVJLBSJBZBLAFP-LJQANCHMSA-N 1 1 361.489 4.169 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000032800377 1121466750 /nfs/dbraw/zinc/46/67/50/1121466750.db2.gz NEXLPZXIQXGSOE-QWHCGFSZSA-N 1 1 368.308 4.375 20 30 FIEDMO Cc1ccc(CC[N@H+](Cc2ccco2)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763411747 1121581477 /nfs/dbraw/zinc/58/14/77/1121581477.db2.gz BOPUKWBHPFIVBV-QHCPKHFHSA-N 1 1 360.457 4.238 20 30 FIEDMO N#Cc1ccc(OCCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000917013167 1122004928 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1123937854 /nfs/dbraw/zinc/93/78/54/1123937854.db2.gz RDSQGUOGAWEVMU-UHFFFAOYSA-N 1 1 367.518 4.072 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000615347053 1123990162 /nfs/dbraw/zinc/99/01/62/1123990162.db2.gz UUNOQGQXQFTTCU-UHFFFAOYSA-N 1 1 363.404 4.493 20 30 FIEDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301183077 1124201491 /nfs/dbraw/zinc/20/14/91/1124201491.db2.gz RDPWZZVGZAXQPU-CYBMUJFWSA-N 1 1 361.276 4.143 20 30 FIEDMO COc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245728520 1124225963 /nfs/dbraw/zinc/22/59/63/1124225963.db2.gz JEXHNCFTKYEPJV-XLIONFOSSA-N 1 1 360.523 4.238 20 30 FIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)cnc2ccccc21 ZINC000301425837 1124230261 /nfs/dbraw/zinc/23/02/61/1124230261.db2.gz GUXPNRRMDWPPLS-IBGZPJMESA-N 1 1 356.473 4.065 20 30 FIEDMO CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301453337 1124231774 /nfs/dbraw/zinc/23/17/74/1124231774.db2.gz VHAGAHNYUPVECR-KRWDZBQOSA-N 1 1 374.410 4.073 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273562635 1124239921 /nfs/dbraw/zinc/23/99/21/1124239921.db2.gz WUFJWBZESUXLQD-FPOVZHCZSA-N 1 1 354.425 4.058 20 30 FIEDMO C[C@H]1C[C@H](N(C)c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301567389 1124242413 /nfs/dbraw/zinc/24/24/13/1124242413.db2.gz KBGPYCOHNLKUBE-DOTOQJQBSA-N 1 1 354.885 4.096 20 30 FIEDMO CCc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C#N)c1CC ZINC000301654093 1124250067 /nfs/dbraw/zinc/25/00/67/1124250067.db2.gz UPEKGNWOFDKYOW-IFXJQAMLSA-N 1 1 369.538 4.030 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245794213 1124251061 /nfs/dbraw/zinc/25/10/61/1124251061.db2.gz WQEULBWDRBXZKR-JTSKRJEESA-N 1 1 368.452 4.470 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245794213 1124251062 /nfs/dbraw/zinc/25/10/62/1124251062.db2.gz WQEULBWDRBXZKR-JTSKRJEESA-N 1 1 368.452 4.470 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000302105709 1124284274 /nfs/dbraw/zinc/28/42/74/1124284274.db2.gz NMNJDHHQLNZKMW-JXFKEZNVSA-N 1 1 353.491 4.317 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542038 1124356527 /nfs/dbraw/zinc/35/65/27/1124356527.db2.gz BWNVHYJBXVYLTR-CNNODRBYSA-N 1 1 363.505 4.293 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542038 1124356530 /nfs/dbraw/zinc/35/65/30/1124356530.db2.gz BWNVHYJBXVYLTR-CNNODRBYSA-N 1 1 363.505 4.293 20 30 FIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000303089252 1124395085 /nfs/dbraw/zinc/39/50/85/1124395085.db2.gz CNLFWBLSDUCTSG-QFIPXVFZSA-N 1 1 372.468 4.097 20 30 FIEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246276017 1124432356 /nfs/dbraw/zinc/43/23/56/1124432356.db2.gz BAPJRJUDAQDTAX-SJORKVTESA-N 1 1 374.554 4.180 20 30 FIEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cnc2Cl)ccc1OC ZINC000921739282 1124493605 /nfs/dbraw/zinc/49/36/05/1124493605.db2.gz ZIASXOPRILXJFM-MRXNPFEDSA-N 1 1 359.857 4.023 20 30 FIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247402690 1124706604 /nfs/dbraw/zinc/70/66/04/1124706604.db2.gz PMYZGVILXUIRTR-SJORKVTESA-N 1 1 374.554 4.324 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000542883698 1124748045 /nfs/dbraw/zinc/74/80/45/1124748045.db2.gz NTGAEZSHOCFGIJ-CSODHUTKSA-N 1 1 371.550 4.389 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900146 1124938369 /nfs/dbraw/zinc/93/83/69/1124938369.db2.gz OFWSNDRABYJJDM-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900146 1124938374 /nfs/dbraw/zinc/93/83/74/1124938374.db2.gz OFWSNDRABYJJDM-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091080584 1125039644 /nfs/dbraw/zinc/03/96/44/1125039644.db2.gz IGDMVZJUELIFKD-QGZVFWFLSA-N 1 1 363.383 4.114 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000618550665 1125201696 /nfs/dbraw/zinc/20/16/96/1125201696.db2.gz UTPISOVOWPWBDY-GOSISDBHSA-N 1 1 356.473 4.126 20 30 FIEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc4cnccc43)CC2)c(Cl)c1 ZINC000618618033 1125222775 /nfs/dbraw/zinc/22/27/75/1125222775.db2.gz XZTNYHYVUYQCBE-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000093383718 1125317107 /nfs/dbraw/zinc/31/71/07/1125317107.db2.gz RDZKZYPTSCOKKO-UHFFFAOYSA-N 1 1 360.436 4.161 20 30 FIEDMO N#CCCn1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000093383718 1125317110 /nfs/dbraw/zinc/31/71/10/1125317110.db2.gz RDZKZYPTSCOKKO-UHFFFAOYSA-N 1 1 360.436 4.161 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606356 1125453418 /nfs/dbraw/zinc/45/34/18/1125453418.db2.gz WQEULBWDRBXZKR-HTAPYJJXSA-N 1 1 368.452 4.470 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606356 1125453422 /nfs/dbraw/zinc/45/34/22/1125453422.db2.gz WQEULBWDRBXZKR-HTAPYJJXSA-N 1 1 368.452 4.470 20 30 FIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000097099460 209170034 /nfs/dbraw/zinc/17/00/34/209170034.db2.gz UEYLHTVLSAMGQE-UHFFFAOYSA-N 1 1 353.853 4.030 20 30 FIEDMO N#CC[C@H]1CCCN(CC(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc2)C1 ZINC000602883750 568005068 /nfs/dbraw/zinc/00/50/68/568005068.db2.gz LZUDDCRLBCXESN-NHCUHLMSSA-N 1 1 364.537 4.022 20 30 FIEDMO N#CC1(CCC[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)CCOCC1 ZINC000602928440 568019214 /nfs/dbraw/zinc/01/92/14/568019214.db2.gz NHLCQMQLQHRFPZ-UHFFFAOYSA-N 1 1 352.400 4.164 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602795415 568035103 /nfs/dbraw/zinc/03/51/03/568035103.db2.gz MVLPNBIXSULNKM-MJGOQNOKSA-N 1 1 365.481 4.211 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481738401 568100200 /nfs/dbraw/zinc/10/02/00/568100200.db2.gz QCDNCUJQIKVSPB-CQSZACIVSA-N 1 1 365.864 4.086 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481738401 568100201 /nfs/dbraw/zinc/10/02/01/568100201.db2.gz QCDNCUJQIKVSPB-CQSZACIVSA-N 1 1 365.864 4.086 20 30 FIEDMO CC[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000603852193 568166273 /nfs/dbraw/zinc/16/62/73/568166273.db2.gz IDFWCAZIZJWACQ-UHFFFAOYSA-N 1 1 363.505 4.115 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000603855265 568167784 /nfs/dbraw/zinc/16/77/84/568167784.db2.gz LYZSPODWXZNNIS-HXUWFJFHSA-N 1 1 367.880 4.424 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000603855265 568167785 /nfs/dbraw/zinc/16/77/85/568167785.db2.gz LYZSPODWXZNNIS-HXUWFJFHSA-N 1 1 367.880 4.424 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080200 568208784 /nfs/dbraw/zinc/20/87/84/568208784.db2.gz BLVZPMJBTBBFED-IBGZPJMESA-N 1 1 369.534 4.110 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCc2ccccc21 ZINC000008126466 568268637 /nfs/dbraw/zinc/26/86/37/568268637.db2.gz GZPQVDSOQNGGDK-LJQANCHMSA-N 1 1 353.853 4.160 20 30 FIEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000365229829 568342837 /nfs/dbraw/zinc/34/28/37/568342837.db2.gz JUSLKDWPYCVFDO-APWZRJJASA-N 1 1 366.427 4.008 20 30 FIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093889158 1125536141 /nfs/dbraw/zinc/53/61/41/1125536141.db2.gz PRGOCSKGVHGVLT-QLXKLKPCSA-N 1 1 370.518 4.300 20 30 FIEDMO CCOc1c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)nn1CC(C)C ZINC000619748228 1125690571 /nfs/dbraw/zinc/69/05/71/1125690571.db2.gz CCBLPQUUGSHHNK-UHFFFAOYSA-N 1 1 360.889 4.061 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000153007882 1125715236 /nfs/dbraw/zinc/71/52/36/1125715236.db2.gz SWSKUQHSALWYSL-GOSISDBHSA-N 1 1 356.432 4.023 20 30 FIEDMO C[C@@H](OC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C(C)(C)C#N ZINC000784902859 1079601864 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FIEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCC(C)C)c1C#N ZINC001167101532 1080455816 /nfs/dbraw/zinc/45/58/16/1080455816.db2.gz YKDSBZPRXLVPRW-UHFFFAOYSA-N 1 1 370.472 4.021 20 30 FIEDMO C=CCCC[N@@H+](C1CCOCC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209163337 1080463788 /nfs/dbraw/zinc/46/37/88/1080463788.db2.gz CKKOKPZDXXVFHU-IYARVYRRSA-N 1 1 366.546 4.270 20 30 FIEDMO C=CCCCCC[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001209422866 1080660671 /nfs/dbraw/zinc/66/06/71/1080660671.db2.gz JQSDWHHNYLUKSF-FCHUYYIVSA-N 1 1 358.526 4.216 20 30 FIEDMO CC[N@H+](Cc1cc(Br)cnc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001167131709 1080661750 /nfs/dbraw/zinc/66/17/50/1080661750.db2.gz RFADSPBNEADAAO-ZDUSSCGKSA-N 1 1 374.282 4.307 20 30 FIEDMO CC[N@@H+](Cc1cc(Br)cnc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001167131709 1080661754 /nfs/dbraw/zinc/66/17/54/1080661754.db2.gz RFADSPBNEADAAO-ZDUSSCGKSA-N 1 1 374.282 4.307 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167137748 1080677985 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COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c1C#N ZINC000538188907 1082802237 /nfs/dbraw/zinc/80/22/37/1082802237.db2.gz XRBHYAFYFZVIPL-LJQANCHMSA-N 1 1 356.853 4.485 20 30 FIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000581694373 1082812248 /nfs/dbraw/zinc/81/22/48/1082812248.db2.gz OKRXNBTVJCLUGV-GOSISDBHSA-N 1 1 357.498 4.190 20 30 FIEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000581694373 1082812255 /nfs/dbraw/zinc/81/22/55/1082812255.db2.gz OKRXNBTVJCLUGV-GOSISDBHSA-N 1 1 357.498 4.190 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430662884 1082923050 /nfs/dbraw/zinc/92/30/50/1082923050.db2.gz KWUSKBYRYMYFNE-QUCCMNQESA-N 1 1 364.489 4.034 20 30 FIEDMO CCCn1c2ccccc2nc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510549833 1083157214 /nfs/dbraw/zinc/15/72/14/1083157214.db2.gz FFYKEONXUPUJAO-UHFFFAOYSA-N 1 1 374.488 4.361 20 30 FIEDMO C=CCOc1cccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430865316 1083214981 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FIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000092452497 1083408539 /nfs/dbraw/zinc/40/85/39/1083408539.db2.gz KIAVAGOOPQZTPS-INIZCTEOSA-N 1 1 351.288 4.152 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187789168 1083429711 /nfs/dbraw/zinc/42/97/11/1083429711.db2.gz OARZLWJFBSSIIA-XCLFUZPHSA-N 1 1 372.415 4.401 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000092587938 1083445401 /nfs/dbraw/zinc/44/54/01/1083445401.db2.gz AYARJWAGTFGRLZ-RBBKRZOGSA-N 1 1 369.553 4.456 20 30 FIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610786187 1083505407 /nfs/dbraw/zinc/50/54/07/1083505407.db2.gz ZPQGTFZUQHXQEO-FYYLOGMGSA-N 1 1 364.489 4.427 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000586778946 1083512549 /nfs/dbraw/zinc/51/25/49/1083512549.db2.gz JDVZROQZTPBTFX-DNVJHFABSA-N 1 1 360.501 4.492 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)s1 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FC[C@@H]1C[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC001143436327 1084627398 /nfs/dbraw/zinc/62/73/98/1084627398.db2.gz MFLGCDOEMBCUGP-NXEZZACHSA-N 1 1 363.248 4.304 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000375683733 1084809204 /nfs/dbraw/zinc/80/92/04/1084809204.db2.gz VRSHQIQWNZQSRZ-URVUXULASA-N 1 1 367.537 4.187 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180231920 1084921694 /nfs/dbraw/zinc/92/16/94/1084921694.db2.gz SQOGROJPNOUJIC-UHFFFAOYSA-N 1 1 368.843 4.383 20 30 FIEDMO COc1cc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001143512319 1085129344 /nfs/dbraw/zinc/12/93/44/1085129344.db2.gz YGLDOGKPEUUIJF-ZDUSSCGKSA-N 1 1 359.285 4.438 20 30 FIEDMO COc1cc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001143512319 1085129348 /nfs/dbraw/zinc/12/93/48/1085129348.db2.gz YGLDOGKPEUUIJF-ZDUSSCGKSA-N 1 1 359.285 4.438 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000511854625 1085148404 /nfs/dbraw/zinc/14/84/04/1085148404.db2.gz JBFVQFUPOCWKAA-DNVJHFABSA-N 1 1 373.500 4.201 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000128031113 1085300666 /nfs/dbraw/zinc/30/06/66/1085300666.db2.gz MDNRUAZODPVZQL-UHFFFAOYSA-N 1 1 371.487 4.305 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc2ccccc2o1 ZINC001167617921 1085727269 /nfs/dbraw/zinc/72/72/69/1085727269.db2.gz ANVOGJPDJGKXIG-UHFFFAOYSA-N 1 1 367.836 4.418 20 30 FIEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000472265662 1085754472 /nfs/dbraw/zinc/75/44/72/1085754472.db2.gz YNSYTPQXYKTIQI-WIYYLYMNSA-N 1 1 361.489 4.403 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876895 1085886888 /nfs/dbraw/zinc/88/68/88/1085886888.db2.gz AUKSNVYATMNNAR-HKUYNNGSSA-N 1 1 374.550 4.184 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876895 1085886901 /nfs/dbraw/zinc/88/69/01/1085886901.db2.gz 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/nfs/dbraw/zinc/25/29/47/1092252947.db2.gz LYHSPALFMXHMMO-UHFFFAOYSA-N 1 1 366.509 4.439 20 30 FIEDMO C[C@H]1C[C@H](N(C)Cc2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428235627 1092275902 /nfs/dbraw/zinc/27/59/02/1092275902.db2.gz CXMQNKADOGXFLD-FXAWDEMLSA-N 1 1 351.469 4.182 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000438843383 1092279124 /nfs/dbraw/zinc/27/91/24/1092279124.db2.gz SHQJIDDVVKWDKZ-LJQANCHMSA-N 1 1 353.853 4.377 20 30 FIEDMO C[NH+](C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 ZINC000521073424 1092459808 /nfs/dbraw/zinc/45/98/08/1092459808.db2.gz SRCADVAMLRFVOU-IBGZPJMESA-N 1 1 371.868 4.264 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000500843437 1092632740 /nfs/dbraw/zinc/63/27/40/1092632740.db2.gz OMHWEMBPCQLMNF-UONOGXRCSA-N 1 1 364.461 4.280 20 30 FIEDMO C=CCOc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000512566369 1092940200 /nfs/dbraw/zinc/94/02/00/1092940200.db2.gz WPJDTOULHKLNBN-UHFFFAOYSA-N 1 1 364.348 4.051 20 30 FIEDMO Cc1nnc(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c(C#N)c1C ZINC000521881903 1092958428 /nfs/dbraw/zinc/95/84/28/1092958428.db2.gz DDNVERGHGKLJAK-SFHVURJKSA-N 1 1 369.900 4.085 20 30 FIEDMO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015175 1092960993 /nfs/dbraw/zinc/96/09/93/1092960993.db2.gz PHNBVJIUAFJJMZ-YVCBRDFCSA-N 1 1 351.469 4.422 20 30 FIEDMO Cn1cc([C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)cn1 ZINC000614159646 1093014428 /nfs/dbraw/zinc/01/44/28/1093014428.db2.gz KGQAXYLBGVOLQL-VXKWHMMOSA-N 1 1 360.436 4.187 20 30 FIEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614161026 1093016342 /nfs/dbraw/zinc/01/63/42/1093016342.db2.gz PFOLTADMAFTUGR-HKUYNNGSSA-N 1 1 355.526 4.005 20 30 FIEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000521991827 1093019409 /nfs/dbraw/zinc/01/94/09/1093019409.db2.gz GRXQUJQYYKCYSA-QGZVFWFLSA-N 1 1 353.491 4.216 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000614168916 1093040181 /nfs/dbraw/zinc/04/01/81/1093040181.db2.gz HCVGYYAYRPNRCB-QGZVFWFLSA-N 1 1 350.466 4.128 20 30 FIEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614174344 1093051561 /nfs/dbraw/zinc/05/15/61/1093051561.db2.gz XOQOJQXRCHCJOH-UHFFFAOYSA-N 1 1 367.468 4.476 20 30 FIEDMO COc1cccc([C@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)c1 ZINC000614171392 1093054711 /nfs/dbraw/zinc/05/47/11/1093054711.db2.gz VUDFWLKOATXEJF-OAQYLSRUSA-N 1 1 350.462 4.070 20 30 FIEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CCO2)c1 ZINC000614171392 1093054722 /nfs/dbraw/zinc/05/47/22/1093054722.db2.gz VUDFWLKOATXEJF-OAQYLSRUSA-N 1 1 350.462 4.070 20 30 FIEDMO CC[N@@H+]1CCCC[C@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000522063714 1093065161 /nfs/dbraw/zinc/06/51/61/1093065161.db2.gz YSJRAHMNNNQFGS-QFIPXVFZSA-N 1 1 363.505 4.101 20 30 FIEDMO CC[N@H+]1CCCC[C@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000522063714 1093065167 /nfs/dbraw/zinc/06/51/67/1093065167.db2.gz YSJRAHMNNNQFGS-QFIPXVFZSA-N 1 1 363.505 4.101 20 30 FIEDMO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512642345 1093066186 /nfs/dbraw/zinc/06/61/86/1093066186.db2.gz ORPNBQUAVYQVAL-KRWDZBQOSA-N 1 1 367.468 4.023 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(C#N)cc1F ZINC000512661942 1093088667 /nfs/dbraw/zinc/08/86/67/1093088667.db2.gz UYKZTVCDUDYZMY-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000512655858 1093091678 /nfs/dbraw/zinc/09/16/78/1093091678.db2.gz WXUJAGYQJRXWRP-ZHRRBRCNSA-N 1 1 369.484 4.440 20 30 FIEDMO C[C@H]1CC([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168017488 1093150678 /nfs/dbraw/zinc/15/06/78/1093150678.db2.gz ARPHGACTKRXDHC-IRXDYDNUSA-N 1 1 351.469 4.229 20 30 FIEDMO CC[N@@H+](Cc1ccc(Br)c(Br)c1)C[C@H](C)C#N ZINC000509774706 1093185282 /nfs/dbraw/zinc/18/52/82/1093185282.db2.gz SQGQRLSIZPNOHY-SNVBAGLBSA-N 1 1 360.093 4.193 20 30 FIEDMO CC[N@H+](Cc1ccc(Br)c(Br)c1)C[C@H](C)C#N ZINC000509774706 1093185293 /nfs/dbraw/zinc/18/52/93/1093185293.db2.gz SQGQRLSIZPNOHY-SNVBAGLBSA-N 1 1 360.093 4.193 20 30 FIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433077931 1093211000 /nfs/dbraw/zinc/21/10/00/1093211000.db2.gz UAOZQGIVXQROIX-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433077931 1093211010 /nfs/dbraw/zinc/21/10/10/1093211010.db2.gz UAOZQGIVXQROIX-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1c[nH]c2ccccc12 ZINC000190503038 1093292299 /nfs/dbraw/zinc/29/22/99/1093292299.db2.gz QECIDRCZFDOERR-UHFFFAOYSA-N 1 1 366.490 4.179 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1c[nH]c2ccccc12 ZINC000190503038 1093292306 /nfs/dbraw/zinc/29/23/06/1093292306.db2.gz QECIDRCZFDOERR-UHFFFAOYSA-N 1 1 366.490 4.179 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318524 1093327264 /nfs/dbraw/zinc/32/72/64/1093327264.db2.gz PABAXONERWUGNM-QFBILLFUSA-N 1 1 358.445 4.376 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C[C@H](C)C#N ZINC000509812297 1093415919 /nfs/dbraw/zinc/41/59/19/1093415919.db2.gz MQCAARNXKQMWNV-QGZVFWFLSA-N 1 1 362.477 4.203 20 30 FIEDMO CC[N@H+](Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C[C@H](C)C#N ZINC000509812297 1093415924 /nfs/dbraw/zinc/41/59/24/1093415924.db2.gz MQCAARNXKQMWNV-QGZVFWFLSA-N 1 1 362.477 4.203 20 30 FIEDMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000512874922 1093506595 /nfs/dbraw/zinc/50/65/95/1093506595.db2.gz WEDKTKICLQVXFV-JOCHJYFZSA-N 1 1 372.472 4.112 20 30 FIEDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC001141816759 1093597329 /nfs/dbraw/zinc/59/73/29/1093597329.db2.gz KRXLURMXDCRDRL-UHFFFAOYSA-N 1 1 358.283 4.019 20 30 FIEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC001141816759 1093597338 /nfs/dbraw/zinc/59/73/38/1093597338.db2.gz KRXLURMXDCRDRL-UHFFFAOYSA-N 1 1 358.283 4.019 20 30 FIEDMO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000513028189 1093676659 /nfs/dbraw/zinc/67/66/59/1093676659.db2.gz WLEGNPJTNNEJOU-UHFFFAOYSA-N 1 1 350.340 4.064 20 30 FIEDMO C=CCOc1ccc(C[NH2+]Cc2c(OC)cccc2OC(F)(F)F)cc1 ZINC000513040957 1093687660 /nfs/dbraw/zinc/68/76/60/1093687660.db2.gz MBBUBNVWPBEFLY-UHFFFAOYSA-N 1 1 367.367 4.448 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000513056695 1093709738 /nfs/dbraw/zinc/70/97/38/1093709738.db2.gz KJLXEUAGZRLMFC-JOCHJYFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000513056695 1093709743 /nfs/dbraw/zinc/70/97/43/1093709743.db2.gz KJLXEUAGZRLMFC-JOCHJYFZSA-N 1 1 365.452 4.345 20 30 FIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000025438839 1093777264 /nfs/dbraw/zinc/77/72/64/1093777264.db2.gz CLFJGXHJNILZDS-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000513077942 1093780982 /nfs/dbraw/zinc/78/09/82/1093780982.db2.gz WEVWGZNTDNHPCR-RNWQKYJXSA-N 1 1 367.537 4.242 20 30 FIEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1C)C[C@@H]1CCCO1 ZINC000614397708 1093815377 /nfs/dbraw/zinc/81/53/77/1093815377.db2.gz SSOAASIQVCSHAV-NRFANRHFSA-N 1 1 350.462 4.057 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000513091226 1093828095 /nfs/dbraw/zinc/82/80/95/1093828095.db2.gz YTYRRNFMQVDHMY-RNWQKYJXSA-N 1 1 367.537 4.242 20 30 FIEDMO COC1(OC)CC2(C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C(C)C)C1 ZINC000895988827 1093833593 /nfs/dbraw/zinc/83/35/93/1093833593.db2.gz NZFCLTXMFSKXSD-LJQANCHMSA-N 1 1 356.510 4.097 20 30 FIEDMO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000542941632 1093908888 /nfs/dbraw/zinc/90/88/88/1093908888.db2.gz COCZVYLYIFTQBZ-OAHLLOKOSA-N 1 1 358.445 4.134 20 30 FIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000729267235 1093954559 /nfs/dbraw/zinc/95/45/59/1093954559.db2.gz MZQCJDSADWJRQN-UHFFFAOYSA-N 1 1 350.340 4.120 20 30 FIEDMO CCN(Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729268119 1093954684 /nfs/dbraw/zinc/95/46/84/1093954684.db2.gz MJLAKYLTODTSFS-DENIHFKCSA-N 1 1 363.505 4.246 20 30 FIEDMO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000729268119 1093954686 /nfs/dbraw/zinc/95/46/86/1093954686.db2.gz MJLAKYLTODTSFS-DENIHFKCSA-N 1 1 363.505 4.246 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000729268119 1093954690 /nfs/dbraw/zinc/95/46/90/1093954690.db2.gz MJLAKYLTODTSFS-DENIHFKCSA-N 1 1 363.505 4.246 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000513413607 1094113345 /nfs/dbraw/zinc/11/33/45/1094113345.db2.gz LDIBZMJWFSWCCP-LJQANCHMSA-N 1 1 363.461 4.057 20 30 FIEDMO N#Cc1ccccc1N1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000513650186 1094253793 /nfs/dbraw/zinc/25/37/93/1094253793.db2.gz KFUVWXHNYADIOG-UHFFFAOYSA-N 1 1 362.864 4.477 20 30 FIEDMO Cn1c2ccccc2nc1C(C#N)=C(O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000513666392 1094272617 /nfs/dbraw/zinc/27/26/17/1094272617.db2.gz MBZFOMDCRLXHMD-IBGZPJMESA-N 1 1 372.472 4.049 20 30 FIEDMO C[C@@H]1C[C@@H](N(CCC#N)Cc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039248 1094441241 /nfs/dbraw/zinc/44/12/41/1094441241.db2.gz CNJTWUPAWAQOMP-JHDGKUDLSA-N 1 1 362.521 4.239 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896226363 1094478134 /nfs/dbraw/zinc/47/81/34/1094478134.db2.gz FBWDGWLIXAIYSF-INIZCTEOSA-N 1 1 356.363 4.236 20 30 FIEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000329079026 1094731264 /nfs/dbraw/zinc/73/12/64/1094731264.db2.gz BVDJCFSYSABKEB-IBGZPJMESA-N 1 1 371.525 4.024 20 30 FIEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000329079028 1094731314 /nfs/dbraw/zinc/73/13/14/1094731314.db2.gz BVDJCFSYSABKEB-LJQANCHMSA-N 1 1 371.525 4.024 20 30 FIEDMO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329138328 1094754013 /nfs/dbraw/zinc/75/40/13/1094754013.db2.gz IERAAZAJCOTQCH-INIZCTEOSA-N 1 1 373.497 4.060 20 30 FIEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1Oc1cccnc1 ZINC000329194124 1094775623 /nfs/dbraw/zinc/77/56/23/1094775623.db2.gz SSPZFHIWINPRIJ-RTBURBONSA-N 1 1 366.465 4.135 20 30 FIEDMO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCOCC1 ZINC000329255600 1094799421 /nfs/dbraw/zinc/79/94/21/1094799421.db2.gz APURFDYIGPOJJW-MAUKXSAKSA-N 1 1 359.514 4.265 20 30 FIEDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCCS2)C1 ZINC000329336363 1094848975 /nfs/dbraw/zinc/84/89/75/1094848975.db2.gz PETWFGASVZQQKP-RDJZCZTQSA-N 1 1 361.511 4.308 20 30 FIEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329441624 1094910162 /nfs/dbraw/zinc/91/01/62/1094910162.db2.gz NCRGPBOCWPKAKZ-UMSONDCASA-N 1 1 366.509 4.010 20 30 FIEDMO Cc1ccc2nc(NC(=O)C[N@H+]3CCC4(CCOCC4)[C@H]3C)sc2c1 ZINC000329457775 1094915786 /nfs/dbraw/zinc/91/57/86/1094915786.db2.gz QRTKIKGHPZEKPI-CQSZACIVSA-N 1 1 359.495 4.084 20 30 FIEDMO CCC(C)(C)OCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329462157 1094920183 /nfs/dbraw/zinc/92/01/83/1094920183.db2.gz STYFRICZZUFAKN-OALUTQOASA-N 1 1 359.514 4.154 20 30 FIEDMO C[N@@H+](CCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C1CCCC1 ZINC000329499895 1094937630 /nfs/dbraw/zinc/93/76/30/1094937630.db2.gz YETWBZPBKIHDKY-SFHVURJKSA-N 1 1 372.557 4.324 20 30 FIEDMO Cc1nnc([C@H](C)NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000329544247 1094963640 /nfs/dbraw/zinc/96/36/40/1094963640.db2.gz YSGYILGOOKWGSA-SWLSCSKDSA-N 1 1 373.526 4.371 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(=O)N1 ZINC000329608471 1094998399 /nfs/dbraw/zinc/99/83/99/1094998399.db2.gz QTBCJZBUGUZOIR-WSCSCYJOSA-N 1 1 369.509 4.284 20 30 FIEDMO C[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C1=CC[N@@H+](C)CC1 ZINC000329715864 1095202276 /nfs/dbraw/zinc/20/22/76/1095202276.db2.gz VPDNNVSEPURQLU-OAHLLOKOSA-N 1 1 368.477 4.297 20 30 FIEDMO CC[C@@H]1C[C@@H](C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC(=O)N1 ZINC000329730301 1095238696 /nfs/dbraw/zinc/23/86/96/1095238696.db2.gz GEFZEGFXPFKVDF-CYGHRXIMSA-N 1 1 373.497 4.029 20 30 FIEDMO CC[C@@H]1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC(=O)N1 ZINC000329730301 1095238709 /nfs/dbraw/zinc/23/87/09/1095238709.db2.gz GEFZEGFXPFKVDF-CYGHRXIMSA-N 1 1 373.497 4.029 20 30 FIEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1OCc1ccccc1 ZINC000513736910 1095258145 /nfs/dbraw/zinc/25/81/45/1095258145.db2.gz OTOCBSSDKVLHAW-UHFFFAOYSA-N 1 1 350.462 4.400 20 30 FIEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1OCc1ccccc1 ZINC000513736910 1095258162 /nfs/dbraw/zinc/25/81/62/1095258162.db2.gz OTOCBSSDKVLHAW-UHFFFAOYSA-N 1 1 350.462 4.400 20 30 FIEDMO Cc1nc(C)c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000329808678 1095272741 /nfs/dbraw/zinc/27/27/41/1095272741.db2.gz MAUXPXWGWSUUKZ-CQSZACIVSA-N 1 1 364.540 4.060 20 30 FIEDMO [O-]C(N[C@@H](c1ccc(F)cc1)C1CCCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897228 1095306791 /nfs/dbraw/zinc/30/67/91/1095306791.db2.gz CUDJWHWJYGEQOL-MGPUTAFESA-N 1 1 370.472 4.020 20 30 FIEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000329897228 1095306809 /nfs/dbraw/zinc/30/68/09/1095306809.db2.gz CUDJWHWJYGEQOL-MGPUTAFESA-N 1 1 370.472 4.020 20 30 FIEDMO [O-]C(N[C@@H](c1ccc(F)cc1)C1CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897228 1095306831 /nfs/dbraw/zinc/30/68/31/1095306831.db2.gz CUDJWHWJYGEQOL-MGPUTAFESA-N 1 1 370.472 4.020 20 30 FIEDMO [O-]C(N[C@@H](c1ccccc1F)C1CCCC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329897610 1095307717 /nfs/dbraw/zinc/30/77/17/1095307717.db2.gz LMFFINMDZXPLDA-MGPUTAFESA-N 1 1 370.472 4.020 20 30 FIEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000329897610 1095307737 /nfs/dbraw/zinc/30/77/37/1095307737.db2.gz LMFFINMDZXPLDA-MGPUTAFESA-N 1 1 370.472 4.020 20 30 FIEDMO [O-]C(N[C@@H](c1ccccc1F)C1CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897610 1095307753 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4.194 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)c1C ZINC001168126599 1106908288 /nfs/dbraw/zinc/90/82/88/1106908288.db2.gz RIHKBCBNFJMGSA-FQEVSTJZSA-N 1 1 355.526 4.451 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451187177 1106966079 /nfs/dbraw/zinc/96/60/79/1106966079.db2.gz ORWAMXBPZBHRDC-GUXCAODWSA-N 1 1 358.445 4.375 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000451189069 1106966934 /nfs/dbraw/zinc/96/69/34/1106966934.db2.gz RAXMKPFHZZTZAG-JXXFODFXSA-N 1 1 358.445 4.375 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451303842 1107025863 /nfs/dbraw/zinc/02/58/63/1107025863.db2.gz HLVMELDRGIZLCM-KRWDZBQOSA-N 1 1 368.786 4.444 20 30 FIEDMO C=CCOCC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451382705 1107059403 /nfs/dbraw/zinc/05/94/03/1107059403.db2.gz HOICMILMTGGNOO-UHFFFAOYSA-N 1 1 350.384 4.305 20 30 FIEDMO C=CCOCC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451382705 1107059417 /nfs/dbraw/zinc/05/94/17/1107059417.db2.gz HOICMILMTGGNOO-UHFFFAOYSA-N 1 1 350.384 4.305 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1OC(F)(F)F ZINC000282031503 1107137028 /nfs/dbraw/zinc/13/70/28/1107137028.db2.gz QCNBNCWDZOXXSC-UHFFFAOYSA-N 1 1 356.388 4.118 20 30 FIEDMO CC1(C)C[C@@H](O)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451808603 1107321322 /nfs/dbraw/zinc/32/13/22/1107321322.db2.gz JURYVDPLKXORST-QFIPXVFZSA-N 1 1 362.517 4.369 20 30 FIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000530963858 1107425421 /nfs/dbraw/zinc/42/54/21/1107425421.db2.gz HGZWCQLLLPOZDR-QHCPKHFHSA-N 1 1 372.472 4.453 20 30 FIEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001126600751 1107533065 /nfs/dbraw/zinc/53/30/65/1107533065.db2.gz SANFKSRJHHKWGL-SFHVURJKSA-N 1 1 367.424 4.301 20 30 FIEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000428358038 1107734482 /nfs/dbraw/zinc/73/44/82/1107734482.db2.gz BRGDWCYZFZJGJO-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000428358038 1107734496 /nfs/dbraw/zinc/73/44/96/1107734496.db2.gz BRGDWCYZFZJGJO-HNNXBMFYSA-N 1 1 355.482 4.412 20 30 FIEDMO COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccccc2C#N)cc1 ZINC000475560209 1107738096 /nfs/dbraw/zinc/73/80/96/1107738096.db2.gz HTXDAEGNIVLNEO-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccccc2C#N)cc1 ZINC000475560209 1107738118 /nfs/dbraw/zinc/73/81/18/1107738118.db2.gz HTXDAEGNIVLNEO-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000531343970 1107785025 /nfs/dbraw/zinc/78/50/25/1107785025.db2.gz RHOXGXNYWXQZEX-JXFKEZNVSA-N 1 1 358.445 4.061 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000444601394 1108011409 /nfs/dbraw/zinc/01/14/09/1108011409.db2.gz ZMEHFOPOUDFWMN-UHFFFAOYSA-N 1 1 361.917 4.208 20 30 FIEDMO N#CC(CC[N@H+]1CCC[C@H](n2cccn2)C1)(c1ccccc1)c1ccccc1 ZINC000444611416 1108018157 /nfs/dbraw/zinc/01/81/57/1108018157.db2.gz RGGSLZWVCOFMNC-QHCPKHFHSA-N 1 1 370.500 4.420 20 30 FIEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccccc2OC(F)F)CCCC1(C)C ZINC000444776096 1108170810 /nfs/dbraw/zinc/17/08/10/1108170810.db2.gz AYTMLTUREPYXLU-MRXNPFEDSA-N 1 1 352.425 4.293 20 30 FIEDMO CCc1nc(C#N)cc(NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)n1 ZINC000714219269 1108234016 /nfs/dbraw/zinc/23/40/16/1108234016.db2.gz BMFBJVVWNZJLRP-UHFFFAOYSA-N 1 1 363.509 4.157 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000508514019 1108333174 /nfs/dbraw/zinc/33/31/74/1108333174.db2.gz UMKSUGPFDRQZRQ-UHFFFAOYSA-N 1 1 355.441 4.443 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000523788615 1108518185 /nfs/dbraw/zinc/51/81/85/1108518185.db2.gz DXHJGEKCFOLFBT-YUXAGFNASA-N 1 1 351.490 4.033 20 30 FIEDMO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1cccc(C#N)c1 ZINC000532159169 1108684525 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FIEDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000447686727 1109620674 /nfs/dbraw/zinc/62/06/74/1109620674.db2.gz GGIBWUUUMUYTIB-UHFFFAOYSA-N 1 1 361.367 4.328 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447981420 1109690210 /nfs/dbraw/zinc/69/02/10/1109690210.db2.gz YQSOHPJORHCXPH-CRAIPNDOSA-N 1 1 374.554 4.323 20 30 FIEDMO CC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606664 1109706851 /nfs/dbraw/zinc/70/68/51/1109706851.db2.gz YDFWMPNVSFPGHE-ZDUSSCGKSA-N 1 1 374.387 4.471 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000448131981 1109728286 /nfs/dbraw/zinc/72/82/86/1109728286.db2.gz FBDHUPSMUNGKDE-IBGZPJMESA-N 1 1 371.456 4.045 20 30 FIEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000448363386 1109777757 /nfs/dbraw/zinc/77/77/57/1109777757.db2.gz BWCIYKYTFVZYDM-PGRDOPGGSA-N 1 1 364.489 4.263 20 30 FIEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000448363384 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4.471 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1)c1ccc(F)c(F)c1 ZINC000481593611 1112990851 /nfs/dbraw/zinc/99/08/51/1112990851.db2.gz MACACJQESFVCJS-HXUWFJFHSA-N 1 1 360.404 4.209 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1C)c1ccc(F)c(F)c1 ZINC000481604663 1112996113 /nfs/dbraw/zinc/99/61/13/1112996113.db2.gz ZIMSFEQKAPCGFC-QRWLVFNGSA-N 1 1 358.432 4.185 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000481604305 1112996158 /nfs/dbraw/zinc/99/61/58/1112996158.db2.gz DGYZJOMFYTVESM-VFNWGFHPSA-N 1 1 370.443 4.145 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000481619104 1112998549 /nfs/dbraw/zinc/99/85/49/1112998549.db2.gz FGANHMKDQPIEMW-QGZVFWFLSA-N 1 1 370.852 4.203 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000482398597 1113243040 /nfs/dbraw/zinc/24/30/40/1113243040.db2.gz NXELDXCRHWVBCM-QHCPKHFHSA-N 1 1 362.473 4.391 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000482625795 1113317020 /nfs/dbraw/zinc/31/70/20/1113317020.db2.gz XLCRGLAMKUKMOW-INIZCTEOSA-N 1 1 374.504 4.380 20 30 FIEDMO OC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000483276209 1113478452 /nfs/dbraw/zinc/47/84/52/1113478452.db2.gz DLZDWHRUEUGSNN-KRWDZBQOSA-N 1 1 353.771 4.034 20 30 FIEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000486009576 1113485870 /nfs/dbraw/zinc/48/58/70/1113485870.db2.gz QTPPVRYGGAKXNE-LPHOPBHVSA-N 1 1 374.410 4.101 20 30 FIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H]2CCCO2)c1 ZINC000486729456 1113632002 /nfs/dbraw/zinc/63/20/02/1113632002.db2.gz LCHPPRCVXDEERZ-JOCHJYFZSA-N 1 1 350.462 4.057 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486780004 1113641267 /nfs/dbraw/zinc/64/12/67/1113641267.db2.gz PUYBKPLWWMMJJO-IBGZPJMESA-N 1 1 367.518 4.436 20 30 FIEDMO N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488118328 1113859309 /nfs/dbraw/zinc/85/93/09/1113859309.db2.gz 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Cn1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491073811 1114365481 /nfs/dbraw/zinc/36/54/81/1114365481.db2.gz BIFVWGSZVLQHPW-LJQANCHMSA-N 1 1 360.436 4.087 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(F)c1 ZINC000586776705 1114387206 /nfs/dbraw/zinc/38/72/06/1114387206.db2.gz FCGIEYWHXNUJEG-UHFFFAOYSA-N 1 1 374.341 4.192 20 30 FIEDMO N#C[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC12CCCC2 ZINC000571030186 1114424635 /nfs/dbraw/zinc/42/46/35/1114424635.db2.gz GXBDFPRMCCLPMF-WIYYLYMNSA-N 1 1 371.912 4.067 20 30 FIEDMO N#Cc1ccc(N2CCC([NH2+]CC(F)(F)c3ccc(F)cc3)CC2)cc1 ZINC000571344798 1114458431 /nfs/dbraw/zinc/45/84/31/1114458431.db2.gz KKYROTWTKXOUDW-UHFFFAOYSA-N 1 1 359.395 4.048 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)C2CC2)sc2c1CCC2 ZINC000164460109 1114496328 /nfs/dbraw/zinc/49/63/28/1114496328.db2.gz AAKYVLFASDUIRA-UHFFFAOYSA-N 1 1 365.502 4.102 20 30 FIEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1F ZINC000588230932 1114556696 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30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C/C=C\c3ccc(F)c(F)c3)CC2)cc1 ZINC000573366601 1115093857 /nfs/dbraw/zinc/09/38/57/1115093857.db2.gz PYHCSIKIKLEYMJ-IWQZZHSRSA-N 1 1 367.443 4.058 20 30 FIEDMO N#Cc1ccc(CN2CCC[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC2)cc1 ZINC000573366601 1115093859 /nfs/dbraw/zinc/09/38/59/1115093859.db2.gz PYHCSIKIKLEYMJ-IWQZZHSRSA-N 1 1 367.443 4.058 20 30 FIEDMO N#Cc1ccc(CN2CCC[N@H+](C/C=C\c3ccc(F)c(F)c3)CC2)cc1 ZINC000573366601 1115093861 /nfs/dbraw/zinc/09/38/61/1115093861.db2.gz PYHCSIKIKLEYMJ-IWQZZHSRSA-N 1 1 367.443 4.058 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000592761993 1115263919 /nfs/dbraw/zinc/26/39/19/1115263919.db2.gz DYYDWLKLSBHUML-YJBOKZPZSA-N 1 1 352.482 4.075 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000592763254 1115264332 /nfs/dbraw/zinc/26/43/32/1115264332.db2.gz RVCDWMSOVZAKDR-GJZGRUSLSA-N 1 1 356.495 4.430 20 30 FIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCc2ccc(Cl)cc21 ZINC000593067596 1115279818 /nfs/dbraw/zinc/27/98/18/1115279818.db2.gz VJYLWSASNQCEMK-ZDUSSCGKSA-N 1 1 373.909 4.264 20 30 FIEDMO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3(C#N)CCCC3)c2)cc1 ZINC000593650746 1115337301 /nfs/dbraw/zinc/33/73/01/1115337301.db2.gz ZQLZUYTYYSJYQU-UHFFFAOYSA-N 1 1 363.461 4.121 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(C(F)(F)F)c1 ZINC000593657029 1115338114 /nfs/dbraw/zinc/33/81/14/1115338114.db2.gz KVCFFTNVUYLTMR-UHFFFAOYSA-N 1 1 366.280 4.443 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526828 1115413596 /nfs/dbraw/zinc/41/35/96/1115413596.db2.gz LHOOLYNECGSREM-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526828 1115413600 /nfs/dbraw/zinc/41/36/00/1115413600.db2.gz LHOOLYNECGSREM-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000046527087 1115413633 /nfs/dbraw/zinc/41/36/33/1115413633.db2.gz OJDPCSDBXFQACC-KRWDZBQOSA-N 1 1 357.457 4.021 20 30 FIEDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000046527087 1115413698 /nfs/dbraw/zinc/41/36/98/1115413698.db2.gz OJDPCSDBXFQACC-KRWDZBQOSA-N 1 1 357.457 4.021 20 30 FIEDMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594504834 1115451471 /nfs/dbraw/zinc/45/14/71/1115451471.db2.gz MEZCEXHATAHZOU-UHFFFAOYSA-N 1 1 363.505 4.241 20 30 FIEDMO C[NH+](C)C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000594941626 1115501767 /nfs/dbraw/zinc/50/17/67/1115501767.db2.gz XOKIGSRCGHELPT-FQEVSTJZSA-N 1 1 353.897 4.288 20 30 FIEDMO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594951639 1115502198 /nfs/dbraw/zinc/50/21/98/1115502198.db2.gz XKWCFHUMSXGUHE-OAQYLSRUSA-N 1 1 356.473 4.049 20 30 FIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)cncc1Br ZINC000594952465 1115502336 /nfs/dbraw/zinc/50/23/36/1115502336.db2.gz ZOVMPYKMVBXAAN-QGZVFWFLSA-N 1 1 360.230 4.022 20 30 FIEDMO COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594994765 1115506258 /nfs/dbraw/zinc/50/62/58/1115506258.db2.gz KYLHPAHCWNYNLC-UHFFFAOYSA-N 1 1 365.477 4.233 20 30 FIEDMO CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295763 1115521183 /nfs/dbraw/zinc/52/11/83/1115521183.db2.gz RHNSQLFJAFHKFE-MGPUTAFESA-N 1 1 365.502 4.444 20 30 FIEDMO CCC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccc(C#N)cc1 ZINC000595291717 1115521239 /nfs/dbraw/zinc/52/12/39/1115521239.db2.gz SXFFSEICWCCNRI-FQEVSTJZSA-N 1 1 365.502 4.273 20 30 FIEDMO N#CC1(CCC[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCOCC1 ZINC000595659198 1115555375 /nfs/dbraw/zinc/55/53/75/1115555375.db2.gz XRWGBAKXXSLBHS-UHFFFAOYSA-N 1 1 353.293 4.452 20 30 FIEDMO N#CC1(CCC[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCOCC1 ZINC000595659198 1115555377 /nfs/dbraw/zinc/55/53/77/1115555377.db2.gz XRWGBAKXXSLBHS-UHFFFAOYSA-N 1 1 353.293 4.452 20 30 FIEDMO CSc1cccc(F)c1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000557395517 1115557302 /nfs/dbraw/zinc/55/73/02/1115557302.db2.gz ZUOZQYZWOSOTLP-UHFFFAOYSA-N 1 1 369.509 4.173 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)c1C#N ZINC000595756694 1115561526 /nfs/dbraw/zinc/56/15/26/1115561526.db2.gz VUMQEJVFWAERRW-KRWDZBQOSA-N 1 1 374.504 4.102 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CCF)C2)c1C#N ZINC000595756694 1115561529 /nfs/dbraw/zinc/56/15/29/1115561529.db2.gz VUMQEJVFWAERRW-KRWDZBQOSA-N 1 1 374.504 4.102 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755100 1115561697 /nfs/dbraw/zinc/56/16/97/1115561697.db2.gz GJXPDJWJDFDPOX-HZPDHXFCSA-N 1 1 363.502 4.091 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755100 1115561701 /nfs/dbraw/zinc/56/17/01/1115561701.db2.gz GJXPDJWJDFDPOX-HZPDHXFCSA-N 1 1 363.502 4.091 20 30 FIEDMO CC(CCN1Cc2cccc(C#N)c2C1)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122936 1115562775 /nfs/dbraw/zinc/56/27/75/1115562775.db2.gz BZDIKPBLHSJIAI-UHFFFAOYSA-N 1 1 370.500 4.178 20 30 FIEDMO CC(CCN1Cc2cccc(C#N)c2C1)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122936 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KPJXYZCCXHAHIZ-OAHLLOKOSA-N 1 1 355.432 4.152 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)cc2)CC1 ZINC000596983451 1115631325 /nfs/dbraw/zinc/63/13/25/1115631325.db2.gz ZMGLKZDSHFVQRA-UHFFFAOYSA-N 1 1 354.457 4.407 20 30 FIEDMO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000597014393 1115633065 /nfs/dbraw/zinc/63/30/65/1115633065.db2.gz NWMUPIGSKLMCIK-HRAATJIYSA-N 1 1 350.437 4.343 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000597014393 1115633066 /nfs/dbraw/zinc/63/30/66/1115633066.db2.gz NWMUPIGSKLMCIK-HRAATJIYSA-N 1 1 350.437 4.343 20 30 FIEDMO CCC1(CC)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597207058 1115647706 /nfs/dbraw/zinc/64/77/06/1115647706.db2.gz AQSBNMNSGAHSFK-UHFFFAOYSA-N 1 1 351.498 4.261 20 30 FIEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2)C[C@@H](C)O1 ZINC000597272946 1115655036 /nfs/dbraw/zinc/65/50/36/1115655036.db2.gz JXQORLRJRSASFA-QZTJIDSGSA-N 1 1 369.509 4.098 20 30 FIEDMO 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C=CCCCCCN(C)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000606817252 1115972129 /nfs/dbraw/zinc/97/21/29/1115972129.db2.gz VCZSMTBWJOHHFC-RTBURBONSA-N 1 1 358.526 4.114 20 30 FIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c2cccnc12 ZINC000063287933 1116041232 /nfs/dbraw/zinc/04/12/32/1116041232.db2.gz CGUNCOWDGLOOKF-UHFFFAOYSA-N 1 1 351.381 4.470 20 30 FIEDMO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000594111243 1116085805 /nfs/dbraw/zinc/08/58/05/1116085805.db2.gz ZFLXMDYLQIGBIN-NVXWUHKLSA-N 1 1 368.506 4.103 20 30 FIEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[N@H+]1C ZINC000608273175 1116093526 /nfs/dbraw/zinc/09/35/26/1116093526.db2.gz JFCADBLRUFASLL-QFBILLFUSA-N 1 1 367.518 4.094 20 30 FIEDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000063724894 1116100537 /nfs/dbraw/zinc/10/05/37/1116100537.db2.gz SEUGZROLHFLNNN-UHFFFAOYSA-N 1 1 361.489 4.172 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccoc1 ZINC000608833264 1116130680 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N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000464824596 1118712166 /nfs/dbraw/zinc/71/21/66/1118712166.db2.gz VRWCXPRPPHEQIG-VQTJNVASSA-N 1 1 369.415 4.065 20 30 FIEDMO CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000464844689 1118718779 /nfs/dbraw/zinc/71/87/79/1118718779.db2.gz IYZSOHHOQVPFGV-GCJKJVERSA-N 1 1 371.525 4.233 20 30 FIEDMO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000609147504 1118838623 /nfs/dbraw/zinc/83/86/23/1118838623.db2.gz WUFFIWHLQCTNPN-NRFANRHFSA-N 1 1 366.505 4.041 20 30 FIEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000443792777 1118959206 /nfs/dbraw/zinc/95/92/06/1118959206.db2.gz VHGSBDTZPGSZFH-PNCHPQGNSA-N 1 1 364.489 4.119 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCc1cccs1 ZINC000173759814 1119069017 /nfs/dbraw/zinc/06/90/17/1119069017.db2.gz DEPKBANXYDBXSG-HNNXBMFYSA-N 1 1 373.547 4.255 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCc1cccs1 ZINC000173759814 1119069021 /nfs/dbraw/zinc/06/90/21/1119069021.db2.gz DEPKBANXYDBXSG-HNNXBMFYSA-N 1 1 373.547 4.255 20 30 FIEDMO CCOc1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000492419174 1119086733 /nfs/dbraw/zinc/08/67/33/1119086733.db2.gz UWDRJTBYYWYKSJ-HNNXBMFYSA-N 1 1 353.422 4.448 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000492532483 1119119633 /nfs/dbraw/zinc/11/96/33/1119119633.db2.gz HJLPMBIBVZXYPK-SFHVURJKSA-N 1 1 370.294 4.397 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000492532483 1119119639 /nfs/dbraw/zinc/11/96/39/1119119639.db2.gz HJLPMBIBVZXYPK-SFHVURJKSA-N 1 1 370.294 4.397 20 30 FIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492657993 1119152987 /nfs/dbraw/zinc/15/29/87/1119152987.db2.gz TZVHOBRLKABSBR-CYBMUJFWSA-N 1 1 359.267 4.089 20 30 FIEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174882788 1119158974 /nfs/dbraw/zinc/15/89/74/1119158974.db2.gz HBLFOKLDYAOMSG-MRXNPFEDSA-N 1 1 357.523 4.201 20 30 FIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)cc1 ZINC000492752493 1119178933 /nfs/dbraw/zinc/17/89/33/1119178933.db2.gz WMVFINMYQYFQSL-INIZCTEOSA-N 1 1 371.278 4.319 20 30 FIEDMO CC(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c2ccccn21 ZINC000597211185 1119334355 /nfs/dbraw/zinc/33/43/55/1119334355.db2.gz JRCCOWALVJXGPX-UHFFFAOYSA-N 1 1 374.488 4.125 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494045730 1119529410 /nfs/dbraw/zinc/52/94/10/1119529410.db2.gz BYLYVRDLWCGRGT-ZDUSSCGKSA-N 1 1 366.852 4.152 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)c(-c2ccc(C#N)cc2)n1 ZINC000494104789 1119543750 /nfs/dbraw/zinc/54/37/50/1119543750.db2.gz FLDNZIZUNXITLE-UHFFFAOYSA-N 1 1 355.445 4.072 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828829 1119560422 /nfs/dbraw/zinc/56/04/22/1119560422.db2.gz BORMFSVOMVGWRA-QUCCMNQESA-N 1 1 355.526 4.037 20 30 FIEDMO C=CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000187108617 1119767124 /nfs/dbraw/zinc/76/71/24/1119767124.db2.gz HNJZRTPKXBEXFK-IBGZPJMESA-N 1 1 363.436 4.296 20 30 FIEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000494267840 1119816885 /nfs/dbraw/zinc/81/68/85/1119816885.db2.gz JXBNFBSXBRLCDQ-UHFFFAOYSA-N 1 1 351.194 4.231 20 30 FIEDMO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000494311252 1119818669 /nfs/dbraw/zinc/81/86/69/1119818669.db2.gz LVPFOVWJHUKZKW-OAHLLOKOSA-N 1 1 362.296 4.190 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001127308308 1120334877 /nfs/dbraw/zinc/33/48/77/1120334877.db2.gz HUNCGMIATPGKDS-QFUCXCTJSA-N 1 1 357.542 4.051 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001127308308 1120334885 /nfs/dbraw/zinc/33/48/85/1120334885.db2.gz HUNCGMIATPGKDS-QFUCXCTJSA-N 1 1 357.542 4.051 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 ZINC000761768629 1120381261 /nfs/dbraw/zinc/38/12/61/1120381261.db2.gz UOFHXBALZKGUJA-RPBOFIJWSA-N 1 1 368.480 4.434 20 30 FIEDMO C=CC[N@@H+](Cc1cc(Cl)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494943075 1120392339 /nfs/dbraw/zinc/39/23/39/1120392339.db2.gz SXXXPPKRIYGONH-CYBMUJFWSA-N 1 1 359.886 4.126 20 30 FIEDMO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000914701300 1120477992 /nfs/dbraw/zinc/47/79/92/1120477992.db2.gz DYMMOHYFYJHMMT-PXNCGERRSA-N 1 1 350.487 4.473 20 30 FIEDMO C[C@@H](C/N=C/c1c(O)ccc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000914701299 1120478018 /nfs/dbraw/zinc/47/80/18/1120478018.db2.gz DYMMOHYFYJHMMT-NSMHLIOHSA-N 1 1 350.487 4.473 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000487849510 1120519520 /nfs/dbraw/zinc/51/95/20/1120519520.db2.gz ZFOAWMRKBLPGLO-GFCCVEGCSA-N 1 1 362.260 4.497 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000487849510 1120519527 /nfs/dbraw/zinc/51/95/27/1120519527.db2.gz ZFOAWMRKBLPGLO-GFCCVEGCSA-N 1 1 362.260 4.497 20 30 FIEDMO C#CCOc1ccccc1-c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000761989862 1120636374 /nfs/dbraw/zinc/63/63/74/1120636374.db2.gz OPHHZLKMHXCLRR-IBGZPJMESA-N 1 1 373.456 4.128 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000193489643 1120924882 /nfs/dbraw/zinc/92/48/82/1120924882.db2.gz CIQNTZABRYXLAG-JOCHJYFZSA-N 1 1 359.404 4.015 20 30 FIEDMO Cc1c(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)nnn1-c1ccccc1 ZINC000762605487 1120938723 /nfs/dbraw/zinc/93/87/23/1120938723.db2.gz WVSURTYBLYVXNK-SEYXRHQNSA-N 1 1 371.444 4.243 20 30 FIEDMO C=CC[C@@H]([NH2+][C@H](C)c1cc(Br)ncc1F)c1ccncc1 ZINC000762755638 1120958372 /nfs/dbraw/zinc/95/83/72/1120958372.db2.gz ATSUMDGXQREKAE-IAQYHMDHSA-N 1 1 350.235 4.346 20 30 FIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762750526 1120959470 /nfs/dbraw/zinc/95/94/70/1120959470.db2.gz WTESZBQUYIUQLD-GFCCVEGCSA-N 1 1 365.246 4.399 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000915602771 1121008950 /nfs/dbraw/zinc/00/89/50/1121008950.db2.gz KZYVDIUMHGPVIU-FNDLEWIFSA-N 1 1 373.500 4.262 20 30 FIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccc(CC(=O)OC)cc2)cc1 ZINC001168572366 1121141529 /nfs/dbraw/zinc/14/15/29/1121141529.db2.gz SRUHUTJFMKBOFD-JOCHJYFZSA-N 1 1 364.489 4.337 20 30 FIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H](C)C2CC2)c1C#N ZINC000552796184 1121198862 /nfs/dbraw/zinc/19/88/62/1121198862.db2.gz SNRJNORQYJPSKN-MRXNPFEDSA-N 1 1 356.514 4.151 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)cc1 ZINC000763240445 1121301163 /nfs/dbraw/zinc/30/11/63/1121301163.db2.gz FTRLEOIKAPXSIJ-RPWUZVMVSA-N 1 1 354.453 4.391 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Br)cc1 ZINC000763412617 1121582316 /nfs/dbraw/zinc/58/23/16/1121582316.db2.gz GUYLCEIARCTTOS-RBUKOAKNSA-N 1 1 371.278 4.191 20 30 FIEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063750800 1121583855 /nfs/dbraw/zinc/58/38/55/1121583855.db2.gz VFODEIDZDKBTKQ-UHFFFAOYSA-N 1 1 355.869 4.451 20 30 FIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000916638257 1121589072 /nfs/dbraw/zinc/58/90/72/1121589072.db2.gz CKGOIMHYXQTBQD-VSKRKVRLSA-N 1 1 374.488 4.090 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(C#N)c1 ZINC000063299839 1121676452 /nfs/dbraw/zinc/67/64/52/1121676452.db2.gz IFLPAHNPQBVFES-UHFFFAOYSA-N 1 1 372.472 4.059 20 30 FIEDMO C=C(C)C[N@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000497139561 1121852673 /nfs/dbraw/zinc/85/26/73/1121852673.db2.gz AUJJOGKKLCGKOC-UHFFFAOYSA-N 1 1 361.283 4.431 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCC[C@H]1O ZINC000497211677 1121906382 /nfs/dbraw/zinc/90/63/82/1121906382.db2.gz AREHOKBZRLDYMG-FYYLOGMGSA-N 1 1 364.489 4.120 20 30 FIEDMO C=C(C)CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001127425201 1122126972 /nfs/dbraw/zinc/12/69/72/1122126972.db2.gz BMOLLOAGKAEYRR-UHFFFAOYSA-N 1 1 355.309 4.430 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917407658 1122298829 /nfs/dbraw/zinc/29/88/29/1122298829.db2.gz HYUOXFHMDBHCHN-LJQANCHMSA-N 1 1 365.395 4.436 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000917407640 1122298991 /nfs/dbraw/zinc/29/89/91/1122298991.db2.gz HLSCDTLGBOHZNH-IBGZPJMESA-N 1 1 365.395 4.436 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497610882 1122311483 /nfs/dbraw/zinc/31/14/83/1122311483.db2.gz MEDKYKVCTWSMJH-HZPDHXFCSA-N 1 1 369.896 4.472 20 30 FIEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000497615041 1122317497 /nfs/dbraw/zinc/31/74/97/1122317497.db2.gz FLWQRFWIPAPGML-SFTDATJTSA-N 1 1 367.489 4.001 20 30 FIEDMO C=C(CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000498040669 1122535502 /nfs/dbraw/zinc/53/55/02/1122535502.db2.gz FFZSCQFGOBEFFF-UYAOXDASSA-N 1 1 369.534 4.144 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000130038952 1122731615 /nfs/dbraw/zinc/73/16/15/1122731615.db2.gz OKUBNTWCGJQJAD-LJQANCHMSA-N 1 1 362.473 4.138 20 30 FIEDMO C=C[C@@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000130615184 1122887232 /nfs/dbraw/zinc/88/72/32/1122887232.db2.gz FZCWOROTAAOIPV-MOPGFXCFSA-N 1 1 364.489 4.378 20 30 FIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130635112 1122891197 /nfs/dbraw/zinc/89/11/97/1122891197.db2.gz HNMYUTUVULGCLT-XMSQKQJNSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000130635112 1122891204 /nfs/dbraw/zinc/89/12/04/1122891204.db2.gz HNMYUTUVULGCLT-XMSQKQJNSA-N 1 1 350.462 4.331 20 30 FIEDMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1cccc(C#N)c1 ZINC000194833662 1122901150 /nfs/dbraw/zinc/90/11/50/1122901150.db2.gz XUGWYJVSQIKAKW-UHFFFAOYSA-N 1 1 369.468 4.467 20 30 FIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(Br)o2)cc(OC)c1O ZINC000130683220 1122905567 /nfs/dbraw/zinc/90/55/67/1122905567.db2.gz OQNLTTQWORYWQH-UHFFFAOYSA-N 1 1 366.255 4.117 20 30 FIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(Br)o2)cc(OC)c1O ZINC000130683220 1122905571 /nfs/dbraw/zinc/90/55/71/1122905571.db2.gz OQNLTTQWORYWQH-UHFFFAOYSA-N 1 1 366.255 4.117 20 30 FIEDMO C=CCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1-c1ccoc1C ZINC000557019361 1123314161 /nfs/dbraw/zinc/31/41/61/1123314161.db2.gz KIFQCEINIDKBSV-INIZCTEOSA-N 1 1 360.527 4.388 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1OCCCC#N ZINC000155187667 1123351366 /nfs/dbraw/zinc/35/13/66/1123351366.db2.gz LCMLOIRQURSZCV-UHFFFAOYSA-N 1 1 367.493 4.076 20 30 FIEDMO CCOc1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000921262026 1123605904 /nfs/dbraw/zinc/60/59/04/1123605904.db2.gz YSVCVQCXDAXDPW-IQJJTXKVSA-N 1 1 352.478 4.122 20 30 FIEDMO CCOc1ccc(/C=N/C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000921261749 1123605940 /nfs/dbraw/zinc/60/59/40/1123605940.db2.gz URWNADADVRZMHQ-VRMLFSPKSA-N 1 1 352.478 4.265 20 30 FIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135105675 1123717314 /nfs/dbraw/zinc/71/73/14/1123717314.db2.gz GIOFMETZQALMJO-QGZVFWFLSA-N 1 1 359.477 4.261 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000609672608 1123790189 /nfs/dbraw/zinc/79/01/89/1123790189.db2.gz SFZXRNOVMDRMLH-YJBOKZPZSA-N 1 1 367.880 4.418 20 30 FIEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)c1 ZINC000609892791 1123880781 /nfs/dbraw/zinc/88/07/81/1123880781.db2.gz AAGKHWLCYZAATH-OAHLLOKOSA-N 1 1 355.869 4.103 20 30 FIEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610003858 1123914209 /nfs/dbraw/zinc/91/42/09/1123914209.db2.gz LDKVVCGYVXKENZ-CYBMUJFWSA-N 1 1 371.843 4.299 20 30 FIEDMO C=C[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000136826318 1123939494 /nfs/dbraw/zinc/93/94/94/1123939494.db2.gz WVYXELZWQRPGOQ-FGZHOGPDSA-N 1 1 362.517 4.327 20 30 FIEDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000610142595 1123945276 /nfs/dbraw/zinc/94/52/76/1123945276.db2.gz CGIKDDWWIMTQFB-UHFFFAOYSA-N 1 1 366.465 4.204 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000610133253 1123950189 /nfs/dbraw/zinc/95/01/89/1123950189.db2.gz AMEDWGYDHWILHA-SFHVURJKSA-N 1 1 354.450 4.464 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc(OC)c1O ZINC000137083881 1123960987 /nfs/dbraw/zinc/96/09/87/1123960987.db2.gz ZVSCOVUIAIHPJD-GOSISDBHSA-N 1 1 357.450 4.206 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195732884 1124023490 /nfs/dbraw/zinc/02/34/90/1124023490.db2.gz SSFNXOPLBCDIDD-KBXCAEBGSA-N 1 1 369.431 4.143 20 30 FIEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000138394693 1124184197 /nfs/dbraw/zinc/18/41/97/1124184197.db2.gz ZZKTVSFCLUVNTC-MRXNPFEDSA-N 1 1 353.466 4.158 20 30 FIEDMO C=C[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000245690048 1124202015 /nfs/dbraw/zinc/20/20/15/1124202015.db2.gz WVYXELZWQRPGOQ-YADHBBJMSA-N 1 1 362.517 4.327 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301292427 1124211922 /nfs/dbraw/zinc/21/19/22/1124211922.db2.gz NYLFEWPBIZIUTA-MRXNPFEDSA-N 1 1 360.383 4.049 20 30 FIEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301787163 1124260566 /nfs/dbraw/zinc/26/05/66/1124260566.db2.gz PJWPDKXRNUYBGZ-MGPUTAFESA-N 1 1 364.468 4.007 20 30 FIEDMO CC(C)[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302021823 1124277801 /nfs/dbraw/zinc/27/78/01/1124277801.db2.gz FULBMLNUIULATB-ROUUACIJSA-N 1 1 358.848 4.382 20 30 FIEDMO CC(C)[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302021823 1124277807 /nfs/dbraw/zinc/27/78/07/1124277807.db2.gz FULBMLNUIULATB-ROUUACIJSA-N 1 1 358.848 4.382 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000302111399 1124285083 /nfs/dbraw/zinc/28/50/83/1124285083.db2.gz PRXXTHZVABSPAU-DHIUTWEWSA-N 1 1 373.500 4.252 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302160361 1124290639 /nfs/dbraw/zinc/29/06/39/1124290639.db2.gz JQGRYDBAEDSJMI-AEFFLSMTSA-N 1 1 373.863 4.167 20 30 FIEDMO C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542072 1124356242 /nfs/dbraw/zinc/35/62/42/1124356242.db2.gz BWNVHYJBXVYLTR-IPJJNNNSSA-N 1 1 363.505 4.293 20 30 FIEDMO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542072 1124356248 /nfs/dbraw/zinc/35/62/48/1124356248.db2.gz BWNVHYJBXVYLTR-IPJJNNNSSA-N 1 1 363.505 4.293 20 30 FIEDMO C[N@H+]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302829950 1124357003 /nfs/dbraw/zinc/35/70/03/1124357003.db2.gz PRJMPDLTMFBNAW-TZIWHRDSSA-N 1 1 364.399 4.242 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000617196442 1124481209 /nfs/dbraw/zinc/48/12/09/1124481209.db2.gz JNZZLDHCGVXTNT-LJQANCHMSA-N 1 1 371.278 4.284 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000617196442 1124481212 /nfs/dbraw/zinc/48/12/12/1124481212.db2.gz JNZZLDHCGVXTNT-LJQANCHMSA-N 1 1 371.278 4.284 20 30 FIEDMO N#Cc1cccc(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)c1 ZINC000554884613 1124709781 /nfs/dbraw/zinc/70/97/81/1124709781.db2.gz VLYACYJUDSNMAC-UHFFFAOYSA-N 1 1 350.853 4.111 20 30 FIEDMO N#Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1Cl ZINC000110596584 1124761779 /nfs/dbraw/zinc/76/17/79/1124761779.db2.gz ZKXAIWVKMNDCAI-ALOPSCKCSA-N 1 1 352.869 4.214 20 30 FIEDMO C=CCn1c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nnc1C(C)(C)C ZINC000508906511 1124804543 /nfs/dbraw/zinc/80/45/43/1124804543.db2.gz GHQFDZQNUQSEHA-GOSISDBHSA-N 1 1 373.589 4.243 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000252348480 1124809361 /nfs/dbraw/zinc/80/93/61/1124809361.db2.gz CPLXOVQIPAGJCZ-HUUCEWRRSA-N 1 1 357.523 4.282 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181307326 1124851207 /nfs/dbraw/zinc/85/12/07/1124851207.db2.gz NNGKKHFRHWPLJG-UZLBHIALSA-N 1 1 357.461 4.284 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181441552 1124924495 /nfs/dbraw/zinc/92/44/95/1124924495.db2.gz ZVEOIGCBEPPNTK-OTWHNJEPSA-N 1 1 363.505 4.018 20 30 FIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075861544 1124934081 /nfs/dbraw/zinc/93/40/81/1124934081.db2.gz UYMHSJZIKLSNBF-UHFFFAOYSA-N 1 1 360.461 4.326 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900150 1124938717 /nfs/dbraw/zinc/93/87/17/1124938717.db2.gz OFWSNDRABYJJDM-LIRRHRJNSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900150 1124938719 /nfs/dbraw/zinc/93/87/19/1124938719.db2.gz OFWSNDRABYJJDM-LIRRHRJNSA-N 1 1 362.408 4.330 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC000076120209 1124960991 /nfs/dbraw/zinc/96/09/91/1124960991.db2.gz YZXYGTBNJWRFHI-KSSFIOAISA-N 1 1 362.433 4.483 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC000076120209 1124960997 /nfs/dbraw/zinc/96/09/97/1124960997.db2.gz YZXYGTBNJWRFHI-KSSFIOAISA-N 1 1 362.433 4.483 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519793 1124992141 /nfs/dbraw/zinc/99/21/41/1124992141.db2.gz BPISMXKLTFXSOW-IRXDYDNUSA-N 1 1 352.400 4.019 20 30 FIEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000112622989 1125014015 /nfs/dbraw/zinc/01/40/15/1125014015.db2.gz APAFMLFNWVLXQM-XMMPIXPASA-N 1 1 372.468 4.399 20 30 FIEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000282321702 1125121504 /nfs/dbraw/zinc/12/15/04/1125121504.db2.gz UDRHXHBJNWXLES-UHFFFAOYSA-N 1 1 364.312 4.150 20 30 FIEDMO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181748920 1125125276 /nfs/dbraw/zinc/12/52/76/1125125276.db2.gz IJQNKOPOWQKYLS-ZWKOTPCHSA-N 1 1 351.494 4.369 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)cc1 ZINC000763517994 1125415751 /nfs/dbraw/zinc/41/57/51/1125415751.db2.gz WQRXEWLLLCEIMM-OAQYLSRUSA-N 1 1 356.416 4.315 20 30 FIEDMO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1ccccc1 ZINC000619068839 1125441261 /nfs/dbraw/zinc/44/12/61/1125441261.db2.gz YTLBLVYILZMZIK-QFIPXVFZSA-N 1 1 371.488 4.442 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cc(OC)c1O ZINC000093593207 1125452732 /nfs/dbraw/zinc/45/27/32/1125452732.db2.gz QIAMQDNLSMFWJD-GOSISDBHSA-N 1 1 353.462 4.127 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000109011786 209296082 /nfs/dbraw/zinc/29/60/82/209296082.db2.gz VDBRAUXGCYWGBR-QFIPXVFZSA-N 1 1 359.473 4.085 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1)CC1CC1 ZINC000541833615 567937509 /nfs/dbraw/zinc/93/75/09/567937509.db2.gz HAXFTRIZVRJAQM-UHFFFAOYSA-N 1 1 373.928 4.186 20 30 FIEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000602514526 567989645 /nfs/dbraw/zinc/98/96/45/567989645.db2.gz KMWOGBANGXIZJM-UXHICEINSA-N 1 1 369.553 4.250 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481517487 568005339 /nfs/dbraw/zinc/00/53/39/568005339.db2.gz PCFQTOPTXHONGT-DLBZAZTESA-N 1 1 365.452 4.294 20 30 FIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517632 568045769 /nfs/dbraw/zinc/04/57/69/568045769.db2.gz TXVOACXCLICRMC-LIRRHRJNSA-N 1 1 351.406 4.058 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000603498224 568112359 /nfs/dbraw/zinc/11/23/59/568112359.db2.gz DQOMQRXQIHGGTM-FQEVSTJZSA-N 1 1 367.880 4.424 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000603498224 568112360 /nfs/dbraw/zinc/11/23/60/568112360.db2.gz DQOMQRXQIHGGTM-FQEVSTJZSA-N 1 1 367.880 4.424 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481839154 568147819 /nfs/dbraw/zinc/14/78/19/568147819.db2.gz LTIVWJZMIPKTFY-OAHLLOKOSA-N 1 1 367.880 4.418 20 30 FIEDMO C=CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000603837236 568159792 /nfs/dbraw/zinc/15/97/92/568159792.db2.gz NYPKRFWCJSGIJH-UHFFFAOYSA-N 1 1 352.843 4.377 20 30 FIEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000603837236 568159794 /nfs/dbraw/zinc/15/97/94/568159794.db2.gz NYPKRFWCJSGIJH-UHFFFAOYSA-N 1 1 352.843 4.377 20 30 FIEDMO COC(=O)c1ccc(-c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000481929522 568189588 /nfs/dbraw/zinc/18/95/88/568189588.db2.gz WWPFLNBBQKDDNX-UHFFFAOYSA-N 1 1 360.413 4.237 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CCCC2)c1C ZINC000604071718 568210370 /nfs/dbraw/zinc/21/03/70/568210370.db2.gz UBNAOZBCSPJDAF-NRFANRHFSA-N 1 1 353.510 4.205 20 30 FIEDMO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000604071746 568210378 /nfs/dbraw/zinc/21/03/78/568210378.db2.gz ZHZSSNMLOBHBKX-UHFFFAOYSA-N 1 1 368.308 4.158 20 30 FIEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000604071746 568210379 /nfs/dbraw/zinc/21/03/79/568210379.db2.gz ZHZSSNMLOBHBKX-UHFFFAOYSA-N 1 1 368.308 4.158 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1C ZINC000604071719 568210405 /nfs/dbraw/zinc/21/04/05/568210405.db2.gz UBNAOZBCSPJDAF-OAQYLSRUSA-N 1 1 353.510 4.205 20 30 FIEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C3CCCCC3)sc2C1 ZINC000568792607 568216805 /nfs/dbraw/zinc/21/68/05/568216805.db2.gz ROYQEZWTEMZGQF-AWEZNQCLSA-N 1 1 359.539 4.338 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482009018 568226589 /nfs/dbraw/zinc/22/65/89/568226589.db2.gz TXZYKTHRPIEKJN-QPPBQGQZSA-N 1 1 359.517 4.437 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000482009018 568226590 /nfs/dbraw/zinc/22/65/90/568226590.db2.gz TXZYKTHRPIEKJN-QPPBQGQZSA-N 1 1 359.517 4.437 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482009019 568226613 /nfs/dbraw/zinc/22/66/13/568226613.db2.gz TXZYKTHRPIEKJN-URXFXBBRSA-N 1 1 359.517 4.437 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000482009019 568226614 /nfs/dbraw/zinc/22/66/14/568226614.db2.gz TXZYKTHRPIEKJN-URXFXBBRSA-N 1 1 359.517 4.437 20 30 FIEDMO COc1cc(-c2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cs2)ccc1O ZINC000436685689 568280084 /nfs/dbraw/zinc/28/00/84/568280084.db2.gz MFWGRJSXOUCIEI-CYBMUJFWSA-N 1 1 365.458 4.247 20 30 FIEDMO N#Cc1ccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)c(Cl)c1 ZINC000569671540 568417503 /nfs/dbraw/zinc/41/75/03/568417503.db2.gz YFRSLSNBIGGRMR-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO CC(C)[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000570120732 568452276 /nfs/dbraw/zinc/45/22/76/568452276.db2.gz KNRVBFBXANXSSX-CYBMUJFWSA-N 1 1 373.298 4.011 20 30 FIEDMO CCc1cccc2c(C3CC[NH+](Cc4nc(C#N)cs4)CC3)c[nH]c21 ZINC000570370547 568481013 /nfs/dbraw/zinc/48/10/13/568481013.db2.gz YRWRLHMIIHHZDO-UHFFFAOYSA-N 1 1 350.491 4.438 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](COC(F)F)C3)c2)c1 ZINC000570762174 568520325 /nfs/dbraw/zinc/52/03/25/568520325.db2.gz PDJPXGBHAZOWQS-LJQANCHMSA-N 1 1 372.415 4.198 20 30 FIEDMO CCc1onc(C)c1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328607921 571324111 /nfs/dbraw/zinc/32/41/11/571324111.db2.gz XLBYGWBCHQLYHP-DYESRHJHSA-N 1 1 353.466 4.436 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000093689929 1125493157 /nfs/dbraw/zinc/49/31/57/1125493157.db2.gz DBONWEVCINNUPC-VQTJNVASSA-N 1 1 366.534 4.324 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182854764 1125651975 /nfs/dbraw/zinc/65/19/75/1125651975.db2.gz VTHKRUPZQOQMHK-CQSZACIVSA-N 1 1 364.424 4.051 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000619755418 1125681055 /nfs/dbraw/zinc/68/10/55/1125681055.db2.gz IRNAEEPYDQWBNV-UHFFFAOYSA-N 1 1 353.897 4.008 20 30 FIEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(Cl)c1OC ZINC000619748328 1125690443 /nfs/dbraw/zinc/69/04/43/1125690443.db2.gz AMBYUFDUQFRCQL-UHFFFAOYSA-N 1 1 351.233 4.172 20 30 FIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000152976970 1125706904 /nfs/dbraw/zinc/70/69/04/1125706904.db2.gz PRLREWGTIUXADV-MRXNPFEDSA-N 1 1 356.489 4.011 20 30 FIEDMO COc1cccc([C@@H]2[C@@H](Nc3ncc(C#N)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000182980918 1125709209 /nfs/dbraw/zinc/70/92/09/1125709209.db2.gz GJDGUJRFFUVJPS-RBUKOAKNSA-N 1 1 368.868 4.005 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC[C@@H](C#N)CCC#N)cc1)C[C@@H]1CCCCO1 ZINC000579704842 1079562044 /nfs/dbraw/zinc/56/20/44/1079562044.db2.gz GGJXBAHTXKOSNZ-IRLDBZIGSA-N 1 1 368.525 4.322 20 30 FIEDMO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000728199778 1079948820 /nfs/dbraw/zinc/94/88/20/1079948820.db2.gz WVYADBVMMVYMFC-OAQYLSRUSA-N 1 1 361.489 4.051 20 30 FIEDMO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000728199778 1079948824 /nfs/dbraw/zinc/94/88/24/1079948824.db2.gz WVYADBVMMVYMFC-OAQYLSRUSA-N 1 1 361.489 4.051 20 30 FIEDMO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000610215227 1079981205 /nfs/dbraw/zinc/98/12/05/1079981205.db2.gz BZUJNRWCEQVFMT-HXUWFJFHSA-N 1 1 353.510 4.207 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246898900 1080042179 /nfs/dbraw/zinc/04/21/79/1080042179.db2.gz YDLJRALFBSEPKT-VQIMIIECSA-N 1 1 368.506 4.133 20 30 FIEDMO N#Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000610245510 1080561507 /nfs/dbraw/zinc/56/15/07/1080561507.db2.gz LKHQHEMYTLRPAL-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC001167115578 1080572209 /nfs/dbraw/zinc/57/22/09/1080572209.db2.gz HHJMARYXSQUTLL-KRWDZBQOSA-N 1 1 368.477 4.027 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC001167115578 1080572216 /nfs/dbraw/zinc/57/22/16/1080572216.db2.gz HHJMARYXSQUTLL-KRWDZBQOSA-N 1 1 368.477 4.027 20 30 FIEDMO Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)cs1 ZINC000328648125 1080683134 /nfs/dbraw/zinc/68/31/34/1080683134.db2.gz HYDWUBUSKDUAAL-AEFFLSMTSA-N 1 1 356.495 4.071 20 30 FIEDMO 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C=CCOc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000092436862 1083406426 /nfs/dbraw/zinc/40/64/26/1083406426.db2.gz VHUBRARJWZVHFZ-IBGZPJMESA-N 1 1 357.450 4.034 20 30 FIEDMO C=CCOc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000092436862 1083406431 /nfs/dbraw/zinc/40/64/31/1083406431.db2.gz VHUBRARJWZVHFZ-IBGZPJMESA-N 1 1 357.450 4.034 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000093388436 1083467517 /nfs/dbraw/zinc/46/75/17/1083467517.db2.gz NVDNLFDIDHFKPE-QHCPKHFHSA-N 1 1 364.489 4.241 20 30 FIEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000510934226 1083508933 /nfs/dbraw/zinc/50/89/33/1083508933.db2.gz QUBRPDDQIQUPNU-UHFFFAOYSA-N 1 1 360.864 4.029 20 30 FIEDMO C[N@H+](Cc1cc(C#N)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179755087 1083616907 /nfs/dbraw/zinc/61/69/07/1083616907.db2.gz ZTMVNROVEDQZQK-HOTGVXAUSA-N 1 1 353.274 4.017 20 30 FIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179755087 1083616909 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IOABJJXIXUEXCS-JOCHJYFZSA-N 1 1 357.457 4.171 20 30 FIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC001167510266 1084340097 /nfs/dbraw/zinc/34/00/97/1084340097.db2.gz VQACSMAVMUWPNJ-HNAYVOBHSA-N 1 1 351.450 4.125 20 30 FIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)o1 ZINC001167510266 1084340109 /nfs/dbraw/zinc/34/01/09/1084340109.db2.gz VQACSMAVMUWPNJ-HNAYVOBHSA-N 1 1 351.450 4.125 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000071954885 1084392947 /nfs/dbraw/zinc/39/29/47/1084392947.db2.gz WBDRXMDDRHWSML-MRXNPFEDSA-N 1 1 364.449 4.453 20 30 FIEDMO COc1cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)ccc1C#N ZINC000580251589 1084397506 /nfs/dbraw/zinc/39/75/06/1084397506.db2.gz KZONZMSOWXCSCP-UHFFFAOYSA-N 1 1 353.466 4.067 20 30 FIEDMO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Cl)c1 ZINC000173219798 1084587510 /nfs/dbraw/zinc/58/75/10/1084587510.db2.gz NSWDTGLBKPGFRU-UHFFFAOYSA-N 1 1 373.909 4.416 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(Cl)c1 ZINC000173219798 1084587520 /nfs/dbraw/zinc/58/75/20/1084587520.db2.gz NSWDTGLBKPGFRU-UHFFFAOYSA-N 1 1 373.909 4.416 20 30 FIEDMO C=CC1CC[NH+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000173373931 1084626546 /nfs/dbraw/zinc/62/65/46/1084626546.db2.gz JDWNSFRESYACDM-UHFFFAOYSA-N 1 1 355.507 4.031 20 30 FIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000119857010 1084662719 /nfs/dbraw/zinc/66/27/19/1084662719.db2.gz XKDFYCKLXJCRAX-OAHLLOKOSA-N 1 1 354.450 4.167 20 30 FIEDMO Cn1cc[nH+]c1C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccc1 ZINC000613426051 1084717594 /nfs/dbraw/zinc/71/75/94/1084717594.db2.gz MDDXUKZMDKJTAS-SFHVURJKSA-N 1 1 359.477 4.380 20 30 FIEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460655 1084763562 /nfs/dbraw/zinc/76/35/62/1084763562.db2.gz RTWGLBZCQMVTGB-UHFFFAOYSA-N 1 1 354.416 4.094 20 30 FIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460655 1084763563 /nfs/dbraw/zinc/76/35/63/1084763563.db2.gz RTWGLBZCQMVTGB-UHFFFAOYSA-N 1 1 354.416 4.094 20 30 FIEDMO CC(C)Cc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000540591234 1084844523 /nfs/dbraw/zinc/84/45/23/1084844523.db2.gz SXKFMMNZEAIXKU-VXKWHMMOSA-N 1 1 361.489 4.024 20 30 FIEDMO N#C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCCC1 ZINC000332823153 1084889769 /nfs/dbraw/zinc/88/97/69/1084889769.db2.gz FFCZRAMMUSNJCW-AZUAARDMSA-N 1 1 368.525 4.082 20 30 FIEDMO C[C@H](c1cccc(NCc2ccc(Cl)cc2C#N)c1)[NH+]1CCOCC1 ZINC000478371346 1084943984 /nfs/dbraw/zinc/94/39/84/1084943984.db2.gz PUCYKFNLAIBNHK-OAHLLOKOSA-N 1 1 355.869 4.217 20 30 FIEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000464857454 1084988349 /nfs/dbraw/zinc/98/83/49/1084988349.db2.gz TXEIIWIBTZSMAB-GOSISDBHSA-N 1 1 361.555 4.014 20 30 FIEDMO C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065549286 1085015664 /nfs/dbraw/zinc/01/56/64/1085015664.db2.gz IYXIEEOWGCSSJE-QGZVFWFLSA-N 1 1 361.505 4.034 20 30 FIEDMO N#CC(CCN1CC[C@@H](C[NH+]2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000472587590 1085069672 /nfs/dbraw/zinc/06/96/72/1085069672.db2.gz YUWTZITUOMUIDM-QFIPXVFZSA-N 1 1 373.544 4.304 20 30 FIEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431444021 1085116486 /nfs/dbraw/zinc/11/64/86/1085116486.db2.gz IGVCKUGRUOBHEO-SFTDATJTSA-N 1 1 370.541 4.231 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000511854627 1085147597 /nfs/dbraw/zinc/14/75/97/1085147597.db2.gz JBFVQFUPOCWKAA-ZLNRFVROSA-N 1 1 373.500 4.201 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3CCc3ccccc3)o2)c1 ZINC000075641573 1085609894 /nfs/dbraw/zinc/60/98/94/1085609894.db2.gz WGNJHFZIPXJTBZ-HXUWFJFHSA-N 1 1 358.445 4.205 20 30 FIEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000472265661 1085754742 /nfs/dbraw/zinc/75/47/42/1085754742.db2.gz YNSYTPQXYKTIQI-RXVVDRJESA-N 1 1 361.489 4.403 20 30 FIEDMO C=CC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C(C)(C)C ZINC000661755892 1085798804 /nfs/dbraw/zinc/79/88/04/1085798804.db2.gz TXODSNCRAWQZBB-UHFFFAOYSA-N 1 1 352.438 4.487 20 30 FIEDMO N#CCCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000564990025 1085809685 /nfs/dbraw/zinc/80/96/85/1085809685.db2.gz AKIUFLOQNOAPPW-UHFFFAOYSA-N 1 1 364.280 4.090 20 30 FIEDMO N#Cc1ccccc1CNc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001167633050 1085868202 /nfs/dbraw/zinc/86/82/02/1085868202.db2.gz GFCNVOMCILUKBW-UHFFFAOYSA-N 1 1 357.392 4.102 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000187772819 1085928606 /nfs/dbraw/zinc/92/86/06/1085928606.db2.gz QVRAPAYQVWBBPM-BFUOFWGJSA-N 1 1 355.388 4.070 20 30 FIEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)n2C ZINC000582936064 1085933662 /nfs/dbraw/zinc/93/36/62/1085933662.db2.gz DGMXXHLMXMCLRO-UHFFFAOYSA-N 1 1 358.367 4.062 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000583041797 1086069101 /nfs/dbraw/zinc/06/91/01/1086069101.db2.gz PHGFTPIDZNSWPP-KBPBESRZSA-N 1 1 364.461 4.280 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000662086316 1086110829 /nfs/dbraw/zinc/11/08/29/1086110829.db2.gz QXYNJKKYSGRDOB-BGYRXZFFSA-N 1 1 364.493 4.001 20 30 FIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161519590 1086140688 /nfs/dbraw/zinc/14/06/88/1086140688.db2.gz TYEKFBCCJPLWEM-OAHLLOKOSA-N 1 1 368.868 4.336 20 30 FIEDMO N#Cc1cc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000468283854 1086204806 /nfs/dbraw/zinc/20/48/06/1086204806.db2.gz AXURCVSIJZCITH-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO N#Cc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000468283854 1086204812 /nfs/dbraw/zinc/20/48/12/1086204812.db2.gz AXURCVSIJZCITH-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO N#Cc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000468283854 1086204822 /nfs/dbraw/zinc/20/48/22/1086204822.db2.gz AXURCVSIJZCITH-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000150761942 1086246188 /nfs/dbraw/zinc/24/61/88/1086246188.db2.gz JJASKZHVVLJAAE-HNNXBMFYSA-N 1 1 369.962 4.077 20 30 FIEDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167654224 1086258019 /nfs/dbraw/zinc/25/80/19/1086258019.db2.gz YEBURWKHKACAEJ-SFHVURJKSA-N 1 1 371.431 4.390 20 30 FIEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167654224 1086258028 /nfs/dbraw/zinc/25/80/28/1086258028.db2.gz YEBURWKHKACAEJ-SFHVURJKSA-N 1 1 371.431 4.390 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000548792770 1086579399 /nfs/dbraw/zinc/57/93/99/1086579399.db2.gz AZGGIPOFEAWTKO-UHFFFAOYSA-N 1 1 366.515 4.324 20 30 FIEDMO C#CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CCCC1 ZINC000155913930 1086596799 /nfs/dbraw/zinc/59/67/99/1086596799.db2.gz JCZKWWRCVMLLLB-UHFFFAOYSA-N 1 1 356.491 4.205 20 30 FIEDMO C#CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CCCC1 ZINC000155913930 1086596809 /nfs/dbraw/zinc/59/68/09/1086596809.db2.gz JCZKWWRCVMLLLB-UHFFFAOYSA-N 1 1 356.491 4.205 20 30 FIEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2ccccn21 ZINC000583472721 1086720027 /nfs/dbraw/zinc/72/00/27/1086720027.db2.gz YHHKFDZXGDFFEQ-QGZVFWFLSA-N 1 1 373.382 4.107 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1Cl ZINC000512168183 1086869810 /nfs/dbraw/zinc/86/98/10/1086869810.db2.gz AYRZPCISBXHDLG-HXUWFJFHSA-N 1 1 357.885 4.363 20 30 FIEDMO C[C@H](CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)c1cccnc1 ZINC000329327561 1086911395 /nfs/dbraw/zinc/91/13/95/1086911395.db2.gz XHDFESJNEQOVAS-GOSISDBHSA-N 1 1 373.541 4.345 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000158109497 1087020805 /nfs/dbraw/zinc/02/08/05/1087020805.db2.gz NGVZBFQTRGFWMY-HNNXBMFYSA-N 1 1 366.292 4.418 20 30 FIEDMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c(C)c1 ZINC000329616567 1087104323 /nfs/dbraw/zinc/10/43/23/1087104323.db2.gz DMKVGWUODOPBHI-GOSISDBHSA-N 1 1 357.498 4.278 20 30 FIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCCc1ccccc1 ZINC000052802876 1087169391 /nfs/dbraw/zinc/16/93/91/1087169391.db2.gz BLSORXKLPPENIK-HNNXBMFYSA-N 1 1 367.518 4.000 20 30 FIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000179093825 1087412261 /nfs/dbraw/zinc/41/22/61/1087412261.db2.gz FQQAGJRCNBBWPL-CQSZACIVSA-N 1 1 351.397 4.413 20 30 FIEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918713 1087459176 /nfs/dbraw/zinc/45/91/76/1087459176.db2.gz WONMPKLHCQOORN-NYHFZMIOSA-N 1 1 373.431 4.242 20 30 FIEDMO C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000548837742 1087552905 /nfs/dbraw/zinc/55/29/05/1087552905.db2.gz BRISOZCTIYJSSU-MOPGFXCFSA-N 1 1 371.573 4.213 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000685540530 1087615016 /nfs/dbraw/zinc/61/50/16/1087615016.db2.gz YBGOAFHJXFUGFB-ICSRJNTNSA-N 1 1 367.541 4.077 20 30 FIEDMO 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ZINC000189537258 1088493615 /nfs/dbraw/zinc/49/36/15/1088493615.db2.gz DOFFVGNODAIBSV-IEBWSBKVSA-N 1 1 368.868 4.087 20 30 FIEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513976606 1088575205 /nfs/dbraw/zinc/57/52/05/1088575205.db2.gz ZUBSUPZGPKOLCJ-MTJJIEKYSA-N 1 1 373.500 4.391 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000514120379 1088789772 /nfs/dbraw/zinc/78/97/72/1088789772.db2.gz IRDUPQMNNBUWNZ-KRWDZBQOSA-N 1 1 353.293 4.331 20 30 FIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000472646568 1088884202 /nfs/dbraw/zinc/88/42/02/1088884202.db2.gz AOHXPVVHHIXTRH-HIFRSBDPSA-N 1 1 356.329 4.245 20 30 FIEDMO Clc1ccccc1C#CCN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678125 1088943694 /nfs/dbraw/zinc/94/36/94/1088943694.db2.gz CGEJTSARHYEKDG-UHFFFAOYSA-N 1 1 353.897 4.104 20 30 FIEDMO O=C(c1ccc(F)cc1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000434688721 1088947095 /nfs/dbraw/zinc/94/70/95/1088947095.db2.gz OZEGKQKZVLQOBC-UHFFFAOYSA-N 1 1 355.840 4.426 20 30 FIEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902733 1089123112 /nfs/dbraw/zinc/12/31/12/1089123112.db2.gz JGUBJFYEDHQNEE-RDTXWAMCSA-N 1 1 353.853 4.028 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1C#N ZINC000542134856 1089161623 /nfs/dbraw/zinc/16/16/23/1089161623.db2.gz KFPDXNRIRNSVGL-LJQANCHMSA-N 1 1 354.837 4.239 20 30 FIEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133973 1089319010 /nfs/dbraw/zinc/31/90/10/1089319010.db2.gz URYFVOAFFUWENR-IBGZPJMESA-N 1 1 351.498 4.259 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000514715221 1089407559 /nfs/dbraw/zinc/40/75/59/1089407559.db2.gz WBBWBPVJZINLQT-IBGZPJMESA-N 1 1 353.487 4.329 20 30 FIEDMO C=CCCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472772307 1089410557 /nfs/dbraw/zinc/41/05/57/1089410557.db2.gz UOAUXKGZLMWNEY-MAUKXSAKSA-N 1 1 367.896 4.127 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1C#N ZINC000542134855 1089485515 /nfs/dbraw/zinc/48/55/15/1089485515.db2.gz KFPDXNRIRNSVGL-IBGZPJMESA-N 1 1 354.837 4.239 20 30 FIEDMO C=C(C)CS(=O)(=O)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(CCC)CCC ZINC000435440052 1089663741 /nfs/dbraw/zinc/66/37/41/1089663741.db2.gz YZVKVNPSUHQKEP-CTXDPNEZSA-N 1 1 370.603 4.036 20 30 FIEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000533929632 1089727422 /nfs/dbraw/zinc/72/74/22/1089727422.db2.gz KTJDDEDRKHJFLX-KJXAQDMKSA-N 1 1 362.517 4.373 20 30 FIEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)ccc1OCc1ccccc1 ZINC000549342687 1089850823 /nfs/dbraw/zinc/85/08/23/1089850823.db2.gz OUELBSALMHTZSY-AZUAARDMSA-N 1 1 350.462 4.398 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c(Cl)c1 ZINC000515178079 1089855681 /nfs/dbraw/zinc/85/56/81/1089855681.db2.gz FPVYFLKMMBCTIT-UHFFFAOYSA-N 1 1 362.260 4.303 20 30 FIEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000431864276 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360.914 4.157 20 30 FIEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC1 ZINC000418143281 1091080397 /nfs/dbraw/zinc/08/03/97/1091080397.db2.gz PAVZINMDUPEFIO-UHFFFAOYSA-N 1 1 362.296 4.356 20 30 FIEDMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418145981 1091082025 /nfs/dbraw/zinc/08/20/25/1091082025.db2.gz ZZNNEAXIHGAJHQ-UHFFFAOYSA-N 1 1 372.472 4.331 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000500207781 1091105959 /nfs/dbraw/zinc/10/59/59/1091105959.db2.gz MLFSQHDYRWWTIW-LJQANCHMSA-N 1 1 361.917 4.312 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000500207781 1091105962 /nfs/dbraw/zinc/10/59/62/1091105962.db2.gz MLFSQHDYRWWTIW-LJQANCHMSA-N 1 1 361.917 4.312 20 30 FIEDMO CN(C)c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc[nH+]1 ZINC000500416161 1091468296 /nfs/dbraw/zinc/46/82/96/1091468296.db2.gz NREOKGTZSQMPTQ-UHFFFAOYSA-N 1 1 372.428 4.258 20 30 FIEDMO Clc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000511664920 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1108055309 /nfs/dbraw/zinc/05/53/09/1108055309.db2.gz PRBNYEIZUCDURN-QGZVFWFLSA-N 1 1 352.425 4.381 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000444659455 1108055325 /nfs/dbraw/zinc/05/53/25/1108055325.db2.gz PRBNYEIZUCDURN-QGZVFWFLSA-N 1 1 352.425 4.381 20 30 FIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000444663129 1108067882 /nfs/dbraw/zinc/06/78/82/1108067882.db2.gz XMBAXFAEPYPLAX-UHFFFAOYSA-N 1 1 371.573 4.494 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444713408 1108087460 /nfs/dbraw/zinc/08/74/60/1108087460.db2.gz AHQJTNROPPPDIZ-AZUAARDMSA-N 1 1 374.406 4.360 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444713411 1108087662 /nfs/dbraw/zinc/08/76/62/1108087662.db2.gz AHQJTNROPPPDIZ-UYAOXDASSA-N 1 1 374.406 4.360 20 30 FIEDMO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1F ZINC000444736120 1108123571 /nfs/dbraw/zinc/12/35/71/1108123571.db2.gz 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C=CCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000170682182 1108828696 /nfs/dbraw/zinc/82/86/96/1108828696.db2.gz UWFMXSUSNIPNTB-UHFFFAOYSA-N 1 1 354.416 4.094 20 30 FIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000152161433 1109025193 /nfs/dbraw/zinc/02/51/93/1109025193.db2.gz CKKCFFGXMSTTDL-GOSISDBHSA-N 1 1 372.472 4.487 20 30 FIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000152161433 1109025198 /nfs/dbraw/zinc/02/51/98/1109025198.db2.gz CKKCFFGXMSTTDL-GOSISDBHSA-N 1 1 372.472 4.487 20 30 FIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000508547315 1109042080 /nfs/dbraw/zinc/04/20/80/1109042080.db2.gz ASPBEOMKZXJPTN-UHFFFAOYSA-N 1 1 361.445 4.036 20 30 FIEDMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000524609271 1109096547 /nfs/dbraw/zinc/09/65/47/1109096547.db2.gz PWOIVZUSWCHDMI-SFHVURJKSA-N 1 1 357.498 4.102 20 30 FIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000524609271 1109096553 /nfs/dbraw/zinc/09/65/53/1109096553.db2.gz PWOIVZUSWCHDMI-SFHVURJKSA-N 1 1 357.498 4.102 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 ZINC000524685296 1109118877 /nfs/dbraw/zinc/11/88/77/1109118877.db2.gz SVLQYQIDYSALBE-HNNXBMFYSA-N 1 1 354.885 4.015 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCc1cccc2ccccc21 ZINC000524907043 1109198562 /nfs/dbraw/zinc/19/85/62/1109198562.db2.gz OZZBQQGFMSDMAG-UHFFFAOYSA-N 1 1 360.457 4.273 20 30 FIEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000428447740 1109273870 /nfs/dbraw/zinc/27/38/70/1109273870.db2.gz NJQKWNWQYTUBLW-HSZRJFAPSA-N 1 1 364.489 4.122 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000525423082 1109384846 /nfs/dbraw/zinc/38/48/46/1109384846.db2.gz ALHHHVHOAUXPRP-GOSISDBHSA-N 1 1 356.853 4.436 20 30 FIEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCc2ccccc21 ZINC000525423250 1109384898 /nfs/dbraw/zinc/38/48/98/1109384898.db2.gz KESOFLDUKQEISF-HXUWFJFHSA-N 1 1 350.462 4.345 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022850404 1109691177 /nfs/dbraw/zinc/69/11/77/1109691177.db2.gz UDQSFEOPUQVEDR-UHFFFAOYSA-N 1 1 373.422 4.285 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(F)ccc3Cl)CC2)cc1 ZINC000527324196 1109739759 /nfs/dbraw/zinc/73/97/59/1109739759.db2.gz UTDZVUUHKKICAF-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(Br)cc1F ZINC000527718841 1109817024 /nfs/dbraw/zinc/81/70/24/1109817024.db2.gz GMGCKAMRVINBEA-MRXNPFEDSA-N 1 1 360.230 4.022 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000449449595 1110072819 /nfs/dbraw/zinc/07/28/19/1110072819.db2.gz MAKOFXUIJILSQT-NXHRZFHOSA-N 1 1 352.400 4.093 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000026331020 1110169468 /nfs/dbraw/zinc/16/94/68/1110169468.db2.gz KGYCTHNHSXEKDE-HOTGVXAUSA-N 1 1 361.445 4.002 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000026331020 1110169469 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FIEDMO C=CCCCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000479508801 1112050947 /nfs/dbraw/zinc/05/09/47/1112050947.db2.gz DJKUZVYLUUQDGN-IBGZPJMESA-N 1 1 354.519 4.320 20 30 FIEDMO C=CCCCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000479508801 1112050952 /nfs/dbraw/zinc/05/09/52/1112050952.db2.gz DJKUZVYLUUQDGN-IBGZPJMESA-N 1 1 354.519 4.320 20 30 FIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1F ZINC000553878285 1112113083 /nfs/dbraw/zinc/11/30/83/1112113083.db2.gz KFDHMKLINQZJOO-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000479860731 1112166432 /nfs/dbraw/zinc/16/64/32/1112166432.db2.gz FVLBHFYPMQIHAK-QFIPXVFZSA-N 1 1 352.522 4.248 20 30 FIEDMO C=C(C)CN(CC)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667610415 1112259013 /nfs/dbraw/zinc/25/90/13/1112259013.db2.gz CWSXATZXHHPLLO-UHFFFAOYSA-N 1 1 358.511 4.320 20 30 FIEDMO COc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1OCCCC#N ZINC000898515522 1112287544 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FIEDMO C=C(C)[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)c(F)c1 ZINC000481600168 1112993299 /nfs/dbraw/zinc/99/32/99/1112993299.db2.gz YHCCPVUXQLJXDG-HKUYNNGSSA-N 1 1 360.379 4.116 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000481604303 1112996452 /nfs/dbraw/zinc/99/64/52/1112996452.db2.gz DGYZJOMFYTVESM-BTYIYWSLSA-N 1 1 370.443 4.145 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481617295 1112998002 /nfs/dbraw/zinc/99/80/02/1112998002.db2.gz QNEOPWCBXHLYPW-FCHUYYIVSA-N 1 1 370.443 4.439 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306111 1113349639 /nfs/dbraw/zinc/34/96/39/1113349639.db2.gz XWPVAZDPEUVJJY-YOEHRIQHSA-N 1 1 353.853 4.028 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249245869 1113420817 /nfs/dbraw/zinc/42/08/17/1113420817.db2.gz UMVRHYDCZSBDGU-RDJZCZTQSA-N 1 1 355.507 4.022 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249245869 1113420822 /nfs/dbraw/zinc/42/08/22/1113420822.db2.gz UMVRHYDCZSBDGU-RDJZCZTQSA-N 1 1 355.507 4.022 20 30 FIEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC1CCC1 ZINC000483122104 1113443455 /nfs/dbraw/zinc/44/34/55/1113443455.db2.gz QJEIWDBKKOJFOD-UHFFFAOYSA-N 1 1 356.514 4.152 20 30 FIEDMO OC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000483276210 1113478417 /nfs/dbraw/zinc/47/84/17/1113478417.db2.gz DLZDWHRUEUGSNN-QGZVFWFLSA-N 1 1 353.771 4.034 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907674702 1113565110 /nfs/dbraw/zinc/56/51/10/1113565110.db2.gz AJRDMONTMFYKHQ-UHFFFAOYSA-N 1 1 371.569 4.283 20 30 FIEDMO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488021511 1113843180 /nfs/dbraw/zinc/84/31/80/1113843180.db2.gz DOIVEGISNNONFV-MRXNPFEDSA-N 1 1 371.431 4.040 20 30 FIEDMO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488021511 1113843181 /nfs/dbraw/zinc/84/31/81/1113843181.db2.gz DOIVEGISNNONFV-MRXNPFEDSA-N 1 1 371.431 4.040 20 30 FIEDMO C[N@@H+](CCCNc1c(C#N)cnc2c(F)cc(F)cc21)Cc1ccccc1 ZINC000488146985 1113863444 /nfs/dbraw/zinc/86/34/44/1113863444.db2.gz QFXXFDSGXQPYJP-UHFFFAOYSA-N 1 1 366.415 4.319 20 30 FIEDMO Cc1cc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1C#N ZINC000488196093 1113875573 /nfs/dbraw/zinc/87/55/73/1113875573.db2.gz LUASYILKGFQTRA-JOCHJYFZSA-N 1 1 355.441 4.336 20 30 FIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)c(C)c2)C2CCC(O)CC2)c1 ZINC000488420330 1113924512 /nfs/dbraw/zinc/92/45/12/1113924512.db2.gz LNBLFSWIWMLBAM-UHFFFAOYSA-N 1 1 364.489 4.181 20 30 FIEDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488492523 1113942943 /nfs/dbraw/zinc/94/29/43/1113942943.db2.gz KURIGBFRFUYDEP-MRXNPFEDSA-N 1 1 371.431 4.122 20 30 FIEDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000488492523 1113942944 /nfs/dbraw/zinc/94/29/44/1113942944.db2.gz KURIGBFRFUYDEP-MRXNPFEDSA-N 1 1 371.431 4.122 20 30 FIEDMO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488509787 1113944246 /nfs/dbraw/zinc/94/42/46/1113944246.db2.gz AULFCQUSAFYEIM-ZDUSSCGKSA-N 1 1 371.481 4.097 20 30 FIEDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000488509787 1113944248 /nfs/dbraw/zinc/94/42/48/1113944248.db2.gz AULFCQUSAFYEIM-ZDUSSCGKSA-N 1 1 371.481 4.097 20 30 FIEDMO N#Cc1cccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c1 ZINC000111383171 1113964695 /nfs/dbraw/zinc/96/46/95/1113964695.db2.gz NCRWSDHWCXRBAD-UHFFFAOYSA-N 1 1 367.250 4.001 20 30 FIEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H](C)C1 ZINC000488737940 1113984552 /nfs/dbraw/zinc/98/45/52/1113984552.db2.gz YDRSAEFERQJVSH-AHIWAGSCSA-N 1 1 372.875 4.065 20 30 FIEDMO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1cccc(OC)c1 ZINC000488919196 1114015534 /nfs/dbraw/zinc/01/55/34/1114015534.db2.gz YLTXVOBWFWXDHD-QGZVFWFLSA-N 1 1 372.538 4.106 20 30 FIEDMO C=CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489409320 1114103128 /nfs/dbraw/zinc/10/31/28/1114103128.db2.gz TUKXJQPJROLFPG-PTUXOGIPSA-N 1 1 362.517 4.373 20 30 FIEDMO C=CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489409322 1114103504 /nfs/dbraw/zinc/10/35/04/1114103504.db2.gz TUKXJQPJROLFPG-VJBMBRPKSA-N 1 1 362.517 4.373 20 30 FIEDMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CCC(O)CC2)c1 ZINC000489598820 1114141859 /nfs/dbraw/zinc/14/18/59/1114141859.db2.gz SAWITGWAWHBHBK-UHFFFAOYSA-N 1 1 368.452 4.012 20 30 FIEDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000489877689 1114181530 /nfs/dbraw/zinc/18/15/30/1114181530.db2.gz ZGKLLUYXIHUXTD-AWEZNQCLSA-N 1 1 356.436 4.338 20 30 FIEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490395160 1114280862 /nfs/dbraw/zinc/28/08/62/1114280862.db2.gz AIBVHGKAABIQQJ-JTSKRJEESA-N 1 1 356.473 4.337 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 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IDKJYAFMIKIEHL-UHFFFAOYSA-N 1 1 360.461 4.212 20 30 FIEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c(O)c(OC)c1 ZINC000164321778 1114471947 /nfs/dbraw/zinc/47/19/47/1114471947.db2.gz XRVHKHIIYDODNL-KRWDZBQOSA-N 1 1 358.507 4.404 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCc2ccccc21 ZINC000164444087 1114495988 /nfs/dbraw/zinc/49/59/88/1114495988.db2.gz YIUYCGLBHIHVPN-GOSISDBHSA-N 1 1 365.502 4.056 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000589597471 1114816139 /nfs/dbraw/zinc/81/61/39/1114816139.db2.gz HQWZLAULQDCSFL-UHFFFAOYSA-N 1 1 366.505 4.269 20 30 FIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(OCC(F)(F)F)c3)sc2C1 ZINC001212164158 1114938223 /nfs/dbraw/zinc/93/82/23/1114938223.db2.gz APSYCICZSURBLN-UHFFFAOYSA-N 1 1 367.396 4.292 20 30 FIEDMO CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000590604193 1114957677 /nfs/dbraw/zinc/95/76/77/1114957677.db2.gz BIAXMNZJZKXYEO-IEBWSBKVSA-N 1 1 355.526 4.226 20 30 FIEDMO 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MUFFKOIRHGPSSV-JFIYKMOQSA-N 1 1 372.538 4.077 20 30 FIEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)nnn1-c1ccc(Cl)cc1 ZINC000574638026 1115431311 /nfs/dbraw/zinc/43/13/11/1115431311.db2.gz XPXXHQQNUDYGAV-AWEZNQCLSA-N 1 1 365.868 4.146 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc([C@H](C)Cc3ccc(C#N)cc3)n2)c1C ZINC000594535115 1115461160 /nfs/dbraw/zinc/46/11/60/1115461160.db2.gz TYOIUCCRGRZXRJ-OAHLLOKOSA-N 1 1 363.465 4.124 20 30 FIEDMO N#CCCC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000574812156 1115496459 /nfs/dbraw/zinc/49/64/59/1115496459.db2.gz OUWAXHDBLLQXIL-IBGZPJMESA-N 1 1 368.525 4.036 20 30 FIEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942704 1115501621 /nfs/dbraw/zinc/50/16/21/1115501621.db2.gz ZIZHRIZWGDSUDL-XXBNENTESA-N 1 1 359.517 4.242 20 30 FIEDMO CC(C)[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccc(C#N)cc1 ZINC000595296392 1115521870 /nfs/dbraw/zinc/52/18/70/1115521870.db2.gz CMNZYYAUYFNHIF-FQEVSTJZSA-N 1 1 365.502 4.272 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595549780 1115542064 /nfs/dbraw/zinc/54/20/64/1115542064.db2.gz MRXRKRONQDRKRX-LIRRHRJNSA-N 1 1 351.475 4.054 20 30 FIEDMO N#CC[C@@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc2F)C1 ZINC000595623903 1115551505 /nfs/dbraw/zinc/55/15/05/1115551505.db2.gz YAFVEKKABCGERU-OALUTQOASA-N 1 1 368.500 4.077 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000595613720 1115553741 /nfs/dbraw/zinc/55/37/41/1115553741.db2.gz GMMBFACEVOFOQA-ZDUSSCGKSA-N 1 1 360.255 4.230 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000595613720 1115553742 /nfs/dbraw/zinc/55/37/42/1115553742.db2.gz GMMBFACEVOFOQA-ZDUSSCGKSA-N 1 1 360.255 4.230 20 30 FIEDMO CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1ccc(F)cc1 ZINC000595614929 1115553832 /nfs/dbraw/zinc/55/38/32/1115553832.db2.gz JSQXYPNVKSTCSO-APWZRJJASA-N 1 1 359.489 4.045 20 30 FIEDMO CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccc(F)cc1 ZINC000595614929 1115553835 /nfs/dbraw/zinc/55/38/35/1115553835.db2.gz JSQXYPNVKSTCSO-APWZRJJASA-N 1 1 359.489 4.045 20 30 FIEDMO N#CC1(CCC[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CCOCC1 ZINC000595712489 1115557669 /nfs/dbraw/zinc/55/76/69/1115557669.db2.gz MDZSXRIDIVJISA-UHFFFAOYSA-N 1 1 367.518 4.269 20 30 FIEDMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841469 1115563928 /nfs/dbraw/zinc/56/39/28/1115563928.db2.gz UZCMPDLYLWGYGE-HXUWFJFHSA-N 1 1 361.917 4.419 20 30 FIEDMO N#Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)sc1Cl ZINC000596179128 1115576036 /nfs/dbraw/zinc/57/60/36/1115576036.db2.gz MPGSJWPIQHSALD-UHFFFAOYSA-N 1 1 372.925 4.161 20 30 FIEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212883 1115578915 /nfs/dbraw/zinc/57/89/15/1115578915.db2.gz YMEDUIYMESAPRQ-NHCUHLMSSA-N 1 1 362.473 4.148 20 30 FIEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212883 1115578917 /nfs/dbraw/zinc/57/89/17/1115578917.db2.gz YMEDUIYMESAPRQ-NHCUHLMSSA-N 1 1 362.473 4.148 20 30 FIEDMO CC[C@@H]1C[C@H](Nc2cc(C)[nH+]c(N[C@H]3CCO[C@@H](CC)C3)c2C#N)CCO1 ZINC000596278638 1115580845 /nfs/dbraw/zinc/58/08/45/1115580845.db2.gz ROWWTMJEFSTRNL-XDNAFOTISA-N 1 1 372.513 4.001 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596733178 1115610675 /nfs/dbraw/zinc/61/06/75/1115610675.db2.gz CECOFEXUYVFINV-CVEARBPZSA-N 1 1 374.554 4.180 20 30 FIEDMO C[NH+](C)C1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000596809420 1115614801 /nfs/dbraw/zinc/61/48/01/1115614801.db2.gz VNLWRKFOFAINSL-KRWDZBQOSA-N 1 1 353.853 4.028 20 30 FIEDMO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000761203895 1115620169 /nfs/dbraw/zinc/62/01/69/1115620169.db2.gz NBJGLFHAWCUUIS-ZWKOTPCHSA-N 1 1 357.498 4.061 20 30 FIEDMO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000761203895 1115620172 /nfs/dbraw/zinc/62/01/72/1115620172.db2.gz NBJGLFHAWCUUIS-ZWKOTPCHSA-N 1 1 357.498 4.061 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000596984879 1115631713 /nfs/dbraw/zinc/63/17/13/1115631713.db2.gz WOHZDCWLHKPXNK-VGSWGCGISA-N 1 1 350.462 4.309 20 30 FIEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000596992931 1115634140 /nfs/dbraw/zinc/63/41/40/1115634140.db2.gz HIWIPXPPSGUOMZ-JOCHJYFZSA-N 1 1 374.463 4.336 20 30 FIEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000596992931 1115634143 /nfs/dbraw/zinc/63/41/43/1115634143.db2.gz HIWIPXPPSGUOMZ-JOCHJYFZSA-N 1 1 374.463 4.336 20 30 FIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027798 1115634696 /nfs/dbraw/zinc/63/46/96/1115634696.db2.gz RPBSJNYNNROLEP-CPJLOUKISA-N 1 1 352.503 4.172 20 30 FIEDMO N#CC1(c2ccc(C[N@H+](CCCO)Cc3cccc(Cl)c3)cc2)CC1 ZINC000597026805 1115634794 /nfs/dbraw/zinc/63/47/94/1115634794.db2.gz BMBYVMQDGCJBAX-UHFFFAOYSA-N 1 1 354.881 4.280 20 30 FIEDMO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597087851 1115640067 /nfs/dbraw/zinc/64/00/67/1115640067.db2.gz VTKZEIFWDSAUIR-KRWDZBQOSA-N 1 1 351.519 4.182 20 30 FIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597087851 1115640070 /nfs/dbraw/zinc/64/00/70/1115640070.db2.gz VTKZEIFWDSAUIR-KRWDZBQOSA-N 1 1 351.519 4.182 20 30 FIEDMO N#CC1(c2ccc(C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)CC1 ZINC000597130042 1115642931 /nfs/dbraw/zinc/64/29/31/1115642931.db2.gz IVJUEAKJMKYKQH-AZUAARDMSA-N 1 1 364.514 4.242 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3Cn3cnc4ccccc43)cc2)CC1 ZINC000597131074 1115643011 /nfs/dbraw/zinc/64/30/11/1115643011.db2.gz RSHAWRCWGWOVLB-HXUWFJFHSA-N 1 1 356.473 4.256 20 30 FIEDMO CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477366 1115646074 /nfs/dbraw/zinc/64/60/74/1115646074.db2.gz SEUCWHYXDCRNHN-IAGOWNOFSA-N 1 1 367.468 4.300 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000597174239 1115646559 /nfs/dbraw/zinc/64/65/59/1115646559.db2.gz OKQOLKYDBDWEIK-FQEVSTJZSA-N 1 1 371.488 4.119 20 30 FIEDMO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000597176275 1115646756 /nfs/dbraw/zinc/64/67/56/1115646756.db2.gz HEOSJMKAVVRZPF-MRXNPFEDSA-N 1 1 352.434 4.249 20 30 FIEDMO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000597176274 1115646991 /nfs/dbraw/zinc/64/69/91/1115646991.db2.gz HEOSJMKAVVRZPF-INIZCTEOSA-N 1 1 352.434 4.249 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1OCCCC#N ZINC000597225805 1115651018 /nfs/dbraw/zinc/65/10/18/1115651018.db2.gz VDGXHKRWKRRMDQ-UXHICEINSA-N 1 1 372.509 4.159 20 30 FIEDMO C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597495083 1115669889 /nfs/dbraw/zinc/66/98/89/1115669889.db2.gz UTKHNUQAZAIMCX-DQYPLSBCSA-N 1 1 365.880 4.059 20 30 FIEDMO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597495083 1115669890 /nfs/dbraw/zinc/66/98/90/1115669890.db2.gz UTKHNUQAZAIMCX-DQYPLSBCSA-N 1 1 365.880 4.059 20 30 FIEDMO N#Cc1ccc(CC(=O)CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000593422642 1115684453 /nfs/dbraw/zinc/68/44/53/1115684453.db2.gz HADMZSBURNUFMZ-QFIPXVFZSA-N 1 1 364.514 4.068 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597902609 1115694865 /nfs/dbraw/zinc/69/48/65/1115694865.db2.gz ATVPELKHBMOJMP-HXUWFJFHSA-N 1 1 361.489 4.084 20 30 FIEDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000598027452 1115704366 /nfs/dbraw/zinc/70/43/66/1115704366.db2.gz KNGDQCLTPHOQTP-UHFFFAOYSA-N 1 1 362.458 4.014 20 30 FIEDMO N#Cc1ccc(C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)nc1 ZINC000602908646 1115731924 /nfs/dbraw/zinc/73/19/24/1115731924.db2.gz FMPVRGUCYXVRHT-UHFFFAOYSA-N 1 1 350.447 4.049 20 30 FIEDMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896204 1115732480 /nfs/dbraw/zinc/73/24/80/1115732480.db2.gz ITWZLALCWFNXRK-MRXNPFEDSA-N 1 1 373.460 4.246 20 30 FIEDMO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559950 1115735982 /nfs/dbraw/zinc/73/59/82/1115735982.db2.gz JNMGRHOBFRFCJQ-LJQANCHMSA-N 1 1 373.500 4.077 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000598610519 1115739711 /nfs/dbraw/zinc/73/97/11/1115739711.db2.gz HBMJQLMDVFMUDP-BBRMVZONSA-N 1 1 369.278 4.026 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000598610519 1115739713 /nfs/dbraw/zinc/73/97/13/1115739713.db2.gz HBMJQLMDVFMUDP-BBRMVZONSA-N 1 1 369.278 4.026 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000598609218 1115741164 /nfs/dbraw/zinc/74/11/64/1115741164.db2.gz RZGJWZJDMXVGLS-JKSUJKDBSA-N 1 1 372.456 4.096 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000598609218 1115741166 /nfs/dbraw/zinc/74/11/66/1115741166.db2.gz RZGJWZJDMXVGLS-JKSUJKDBSA-N 1 1 372.456 4.096 20 30 FIEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000598628170 1115742280 /nfs/dbraw/zinc/74/22/80/1115742280.db2.gz KUMWMBHFJIYJFH-PBHICJAKSA-N 1 1 356.432 4.259 20 30 FIEDMO CCC[C@@H](NC(=O)C[N@@H+](CCC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000061001878 1115747567 /nfs/dbraw/zinc/74/75/67/1115747567.db2.gz ZRHULWCDQPWDHQ-JOCHJYFZSA-N 1 1 363.505 4.428 20 30 FIEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599265088 1115803754 /nfs/dbraw/zinc/80/37/54/1115803754.db2.gz QYJBQANEIWWSBJ-RTWAWAEBSA-N 1 1 370.537 4.192 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCOCC1 ZINC000599439088 1115816357 /nfs/dbraw/zinc/81/63/57/1115816357.db2.gz XDVVEWZQEZZIPB-LEWJYISDSA-N 1 1 368.521 4.065 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C1 ZINC000603856008 1115821745 /nfs/dbraw/zinc/82/17/45/1115821745.db2.gz QUUGNMHDWXXGDO-INIZCTEOSA-N 1 1 364.449 4.310 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000603882574 1115825809 /nfs/dbraw/zinc/82/58/09/1115825809.db2.gz QMKHTMUZQISLNN-QHCPKHFHSA-N 1 1 361.489 4.038 20 30 FIEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000599651993 1115835346 /nfs/dbraw/zinc/83/53/46/1115835346.db2.gz KKWYSNBRDDELRZ-AAEUAGOBSA-N 1 1 362.296 4.155 20 30 FIEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000599651993 1115835349 /nfs/dbraw/zinc/83/53/49/1115835349.db2.gz KKWYSNBRDDELRZ-AAEUAGOBSA-N 1 1 362.296 4.155 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000599651996 1115835481 /nfs/dbraw/zinc/83/54/81/1115835481.db2.gz KKWYSNBRDDELRZ-YPMHNXCESA-N 1 1 362.296 4.155 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000599651996 1115835483 /nfs/dbraw/zinc/83/54/83/1115835483.db2.gz KKWYSNBRDDELRZ-YPMHNXCESA-N 1 1 362.296 4.155 20 30 FIEDMO COC[C@@H](C)[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000599681043 1115837585 /nfs/dbraw/zinc/83/75/85/1115837585.db2.gz BISLTTYYGWISJK-NQIIRXRSSA-N 1 1 356.510 4.111 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599736398 1115840841 /nfs/dbraw/zinc/84/08/41/1115840841.db2.gz GCTDHEPJASEAKD-DOTOQJQBSA-N 1 1 372.538 4.219 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604271947 1115861722 /nfs/dbraw/zinc/86/17/22/1115861722.db2.gz VAJRLNUREOHUGY-QGZVFWFLSA-N 1 1 353.897 4.481 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604271947 1115861724 /nfs/dbraw/zinc/86/17/24/1115861724.db2.gz VAJRLNUREOHUGY-QGZVFWFLSA-N 1 1 353.897 4.481 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604271947 1115861727 /nfs/dbraw/zinc/86/17/27/1115861727.db2.gz VAJRLNUREOHUGY-QGZVFWFLSA-N 1 1 353.897 4.481 20 30 FIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000605847340 1115916789 /nfs/dbraw/zinc/91/67/89/1115916789.db2.gz PEISOCDKZAQFEP-KDURUIRLSA-N 1 1 357.542 4.272 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000593994620 1115951246 /nfs/dbraw/zinc/95/12/46/1115951246.db2.gz WSUZTQQAWZQAFK-SJORKVTESA-N 1 1 372.472 4.108 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CCC2)cc1 ZINC000594033118 1115965928 /nfs/dbraw/zinc/96/59/28/1115965928.db2.gz IDPVSUZFQHOQSJ-UHFFFAOYSA-N 1 1 366.262 4.361 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594034791 1115970490 /nfs/dbraw/zinc/97/04/90/1115970490.db2.gz IPEDQRLGUZXWAP-UHFFFAOYSA-N 1 1 350.315 4.375 20 30 FIEDMO CCc1ccc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000606839420 1115974900 /nfs/dbraw/zinc/97/49/00/1115974900.db2.gz SSGNGFKOPZBATI-UHFFFAOYSA-N 1 1 359.473 4.432 20 30 FIEDMO CCc1ccc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000606839420 1115974903 /nfs/dbraw/zinc/97/49/03/1115974903.db2.gz SSGNGFKOPZBATI-UHFFFAOYSA-N 1 1 359.473 4.432 20 30 FIEDMO C[C@@](CO)([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000615224686 1115980308 /nfs/dbraw/zinc/98/03/08/1115980308.db2.gz DYKTVBWHHUDMHH-KRWDZBQOSA-N 1 1 368.786 4.228 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288175 1116041337 /nfs/dbraw/zinc/04/13/37/1116041337.db2.gz QSRQSUNFCKWMLH-UHFFFAOYSA-N 1 1 373.840 4.265 20 30 FIEDMO CCCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1F ZINC000063755171 1116105453 /nfs/dbraw/zinc/10/54/53/1116105453.db2.gz JNTVRNLWGLAXOF-UHFFFAOYSA-N 1 1 353.441 4.328 20 30 FIEDMO COCC[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063753500 1116105867 /nfs/dbraw/zinc/10/58/67/1116105867.db2.gz YKRZTIIAOAOSPF-UHFFFAOYSA-N 1 1 358.869 4.129 20 30 FIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1nc(C)cs1 ZINC000174060301 1116108852 /nfs/dbraw/zinc/10/88/52/1116108852.db2.gz GUVKCTQHXQJQOQ-FUHWJXTLSA-N 1 1 370.522 4.136 20 30 FIEDMO N#CCc1cccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000456749167 1116216904 /nfs/dbraw/zinc/21/69/04/1116216904.db2.gz KKDWWSQMYDHYFI-SFHVURJKSA-N 1 1 362.477 4.198 20 30 FIEDMO N#Cc1cc(F)ccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963118 1116258562 /nfs/dbraw/zinc/25/85/62/1116258562.db2.gz RJAXJMVWVCCYNV-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO C=C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000535387535 1116302043 /nfs/dbraw/zinc/30/20/43/1116302043.db2.gz XOHVUAOZRRZLMM-UNMCSNQZSA-N 1 1 362.517 4.469 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1)C1CC1 ZINC000508848780 1116321794 /nfs/dbraw/zinc/32/17/94/1116321794.db2.gz AQLBGGMKXKQJKH-UHFFFAOYSA-N 1 1 353.853 4.448 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000442895143 1116329216 /nfs/dbraw/zinc/32/92/16/1116329216.db2.gz JCJWOJYMDOYKKF-SUMWQHHRSA-N 1 1 361.367 4.186 20 30 FIEDMO C=CCOc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1Cl ZINC000462861066 1117821596 /nfs/dbraw/zinc/82/15/96/1117821596.db2.gz QSONTPSHVKFZOE-IBGZPJMESA-N 1 1 372.896 4.084 20 30 FIEDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000540149048 1117898988 /nfs/dbraw/zinc/89/89/88/1117898988.db2.gz LTDABWYDZSWWLZ-MGPUTAFESA-N 1 1 351.450 4.349 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000463046321 1117938730 /nfs/dbraw/zinc/93/87/30/1117938730.db2.gz ZDZSCPBBUAAIJS-QHCPKHFHSA-N 1 1 351.490 4.069 20 30 FIEDMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000540467231 1118070832 /nfs/dbraw/zinc/07/08/32/1118070832.db2.gz NHTOVZMOZYRMJE-HXUWFJFHSA-N 1 1 354.425 4.178 20 30 FIEDMO N#CCSCCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540589583 1118136113 /nfs/dbraw/zinc/13/61/13/1118136113.db2.gz DOBGFLZEXDFBHJ-UHFFFAOYSA-N 1 1 358.338 4.152 20 30 FIEDMO N#CCC1CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000541023087 1118351604 /nfs/dbraw/zinc/35/16/04/1118351604.db2.gz MAXKQTZUKRUIEK-UHFFFAOYSA-N 1 1 351.237 4.169 20 30 FIEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541077812 1118372490 /nfs/dbraw/zinc/37/24/90/1118372490.db2.gz ZYSFLLVNAWNERB-NYHFZMIOSA-N 1 1 373.431 4.242 20 30 FIEDMO COc1cc(Br)ccc1CCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000541277577 1118448781 /nfs/dbraw/zinc/44/87/81/1118448781.db2.gz HOLXLGKCFLFCAL-CYBMUJFWSA-N 1 1 351.288 4.014 20 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ZINC000464828960 1118713449 /nfs/dbraw/zinc/71/34/49/1118713449.db2.gz HGVUTLFQHVUWGF-HNAYVOBHSA-N 1 1 351.450 4.262 20 30 FIEDMO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC#N)CC2)c1 ZINC000541952392 1118719703 /nfs/dbraw/zinc/71/97/03/1118719703.db2.gz RVGUVVXWJSQWFP-NRFANRHFSA-N 1 1 363.461 4.001 20 30 FIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000443636210 1118722465 /nfs/dbraw/zinc/72/24/65/1118722465.db2.gz AHYKKBHWJCBOAM-INIZCTEOSA-N 1 1 365.408 4.097 20 30 FIEDMO Cc1c(Cl)cnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000542211020 1118853633 /nfs/dbraw/zinc/85/36/33/1118853633.db2.gz OKDOKAYXOJLACK-UHFFFAOYSA-N 1 1 368.912 4.264 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542253620 1118869760 /nfs/dbraw/zinc/86/97/60/1118869760.db2.gz IPSGYHNSSQOJJZ-SJORKVTESA-N 1 1 357.523 4.165 20 30 FIEDMO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271972420 1119063658 /nfs/dbraw/zinc/06/36/58/1119063658.db2.gz 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CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC000492765800 1119183006 /nfs/dbraw/zinc/18/30/06/1119183006.db2.gz FERYVJGKFDTMJS-GJZGRUSLSA-N 1 1 353.329 4.427 20 30 FIEDMO C=C[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670018368 1119483172 /nfs/dbraw/zinc/48/31/72/1119483172.db2.gz WZPKMRJGKRBKFL-QNBCLJFBSA-N 1 1 361.917 4.128 20 30 FIEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493921282 1119514517 /nfs/dbraw/zinc/51/45/17/1119514517.db2.gz WHTFHLAQANVWQW-RHSMWYFYSA-N 1 1 352.881 4.190 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182914988 1119562850 /nfs/dbraw/zinc/56/28/50/1119562850.db2.gz BWYQPYDMMXLVRG-TZIWHRDSSA-N 1 1 369.553 4.080 20 30 FIEDMO C=CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000189223966 1119863783 /nfs/dbraw/zinc/86/37/83/1119863783.db2.gz YCJXCJOHUSHEJP-BAGYTPMASA-N 1 1 352.522 4.212 20 30 FIEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 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372.472 4.415 20 30 FIEDMO Cc1noc([C@H]2CCC[N@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)n1 ZINC000556883273 1123159002 /nfs/dbraw/zinc/15/90/02/1123159002.db2.gz JDDZQINUVKMEKL-OAQYLSRUSA-N 1 1 372.472 4.415 20 30 FIEDMO C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132473919 1123265829 /nfs/dbraw/zinc/26/58/29/1123265829.db2.gz DZGMXOLBXVCALB-VXKWHMMOSA-N 1 1 352.522 4.268 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2cc(Br)ccc2O)C1 ZINC000920173658 1123403307 /nfs/dbraw/zinc/40/33/07/1123403307.db2.gz DPROGGHAQOLADH-ATMXPARFSA-N 1 1 373.294 4.409 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000134739223 1123667010 /nfs/dbraw/zinc/66/70/10/1123667010.db2.gz UVPCCAUPBQXHDD-PCCBWWKXSA-N 1 1 354.538 4.459 20 30 FIEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135162384 1123722927 /nfs/dbraw/zinc/72/29/27/1123722927.db2.gz QSNGPRZSKHWRGL-HKUYNNGSSA-N 1 1 355.526 4.005 20 30 FIEDMO 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C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000247177370 1124596704 /nfs/dbraw/zinc/59/67/04/1124596704.db2.gz PFVXHMTXDZZBSN-LSDHHAIUSA-N 1 1 357.523 4.140 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)no1 ZINC001212325393 1124769661 /nfs/dbraw/zinc/76/96/61/1124769661.db2.gz QKGINYRKRREZRP-NSHDSACASA-N 1 1 359.735 4.092 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4ccccc4)CC3)o2)cc1 ZINC000075711630 1124916982 /nfs/dbraw/zinc/91/69/82/1124916982.db2.gz FNAUHLAOWVSTOJ-IBGZPJMESA-N 1 1 358.445 4.378 20 30 FIEDMO Cc1ccccc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007845117 1124936015 /nfs/dbraw/zinc/93/60/15/1124936015.db2.gz DRSAMZCTOFCJNW-UHFFFAOYSA-N 1 1 367.518 4.268 20 30 FIEDMO C[C@@H](NC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000181784136 1125136017 /nfs/dbraw/zinc/13/60/17/1125136017.db2.gz IJFIKDQZUASTAN-RTBURBONSA-N 1 1 363.505 4.109 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000785459996 1125145112 /nfs/dbraw/zinc/14/51/12/1125145112.db2.gz GOMMOLQOJBIJCV-IPELMVKDSA-N 1 1 355.482 4.093 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000618550667 1125201640 /nfs/dbraw/zinc/20/16/40/1125201640.db2.gz UTPISOVOWPWBDY-SFHVURJKSA-N 1 1 356.473 4.126 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc1OCCCC#N ZINC000093438779 1125366374 /nfs/dbraw/zinc/36/63/74/1125366374.db2.gz HLCDNSRRYBMIDO-OAQYLSRUSA-N 1 1 364.489 4.367 20 30 FIEDMO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093612909 1125455950 /nfs/dbraw/zinc/45/59/50/1125455950.db2.gz KGXUBMFYUGOXIU-UHFFFAOYSA-N 1 1 369.534 4.298 20 30 FIEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000602514525 567989674 /nfs/dbraw/zinc/98/96/74/567989674.db2.gz KMWOGBANGXIZJM-PMACEKPBSA-N 1 1 369.553 4.250 20 30 FIEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000481536988 568043569 /nfs/dbraw/zinc/04/35/69/568043569.db2.gz APHSWABIYAUMQL-MRXNPFEDSA-N 1 1 369.440 4.115 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000481536988 568043571 /nfs/dbraw/zinc/04/35/71/568043571.db2.gz APHSWABIYAUMQL-MRXNPFEDSA-N 1 1 369.440 4.115 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000159318026 568129439 /nfs/dbraw/zinc/12/94/39/568129439.db2.gz UBQSYQQODOTZTM-OAHLLOKOSA-N 1 1 362.433 4.200 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000159318026 568129440 /nfs/dbraw/zinc/12/94/40/568129440.db2.gz UBQSYQQODOTZTM-OAHLLOKOSA-N 1 1 362.433 4.200 20 30 FIEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000603840566 568153993 /nfs/dbraw/zinc/15/39/93/568153993.db2.gz MFTDMRAISXBRKY-FYYLOGMGSA-N 1 1 364.489 4.110 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1(C#N)CCCCC1)CC1CCC1 ZINC000303940583 568291360 /nfs/dbraw/zinc/29/13/60/568291360.db2.gz YLOUKQKOGYVCDQ-SFHVURJKSA-N 1 1 353.510 4.192 20 30 FIEDMO CCCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccc(C)o1 ZINC000604493705 568304028 /nfs/dbraw/zinc/30/40/28/568304028.db2.gz ZWPBOKSOADLVSO-SFHVURJKSA-N 1 1 359.514 4.436 20 30 FIEDMO CCCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccc(C)o1 ZINC000604493705 568304029 /nfs/dbraw/zinc/30/40/29/568304029.db2.gz ZWPBOKSOADLVSO-SFHVURJKSA-N 1 1 359.514 4.436 20 30 FIEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000365229834 568342784 /nfs/dbraw/zinc/34/27/84/568342784.db2.gz JUSLKDWPYCVFDO-VQIMIIECSA-N 1 1 366.427 4.008 20 30 FIEDMO C=CC[N@H+](CCSc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000605150799 568587674 /nfs/dbraw/zinc/58/76/74/568587674.db2.gz GGKOOVGIXASXPU-KRWDZBQOSA-N 1 1 365.506 4.004 20 30 FIEDMO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cc1 ZINC000182049487 568701062 /nfs/dbraw/zinc/70/10/62/568701062.db2.gz ZPORGDHABPIUGM-FQEVSTJZSA-N 1 1 362.433 4.104 20 30 FIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093889157 1125536253 /nfs/dbraw/zinc/53/62/53/1125536253.db2.gz PRGOCSKGVHGVLT-WGDIFIGCSA-N 1 1 370.518 4.300 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763556936 1125564968 /nfs/dbraw/zinc/56/49/68/1125564968.db2.gz MGNNNBIVQFIJBC-VXKWHMMOSA-N 1 1 374.488 4.359 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000619361105 1125579440 /nfs/dbraw/zinc/57/94/40/1125579440.db2.gz VPCYMECHHAGQPD-CABCVRRESA-N 1 1 369.962 4.220 20 30 FIEDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000619674409 1125651785 /nfs/dbraw/zinc/65/17/85/1125651785.db2.gz HRZSIQKPABKTKQ-RBBKRZOGSA-N 1 1 350.462 4.167 20 30 FIEDMO N#Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2n1 ZINC000619698918 1125658422 /nfs/dbraw/zinc/65/84/22/1125658422.db2.gz RBNCQEKITFIDPQ-INIZCTEOSA-N 1 1 357.461 4.023 20 30 FIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)nc1 ZINC000430188541 1079777213 /nfs/dbraw/zinc/77/72/13/1079777213.db2.gz UKBYBZXGIHYXHK-QGZVFWFLSA-N 1 1 363.392 4.006 20 30 FIEDMO COc1cccc(C2([NH2+]Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000510087593 1079934321 /nfs/dbraw/zinc/93/43/21/1079934321.db2.gz RDOSZIQVMLCFHN-UHFFFAOYSA-N 1 1 357.251 4.108 20 30 FIEDMO C=CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000187646041 1080153737 /nfs/dbraw/zinc/15/37/37/1080153737.db2.gz UOFJDJQGRGYIIJ-XMSQKQJNSA-N 1 1 364.489 4.378 20 30 FIEDMO FC(F)(F)[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC12CCC2 ZINC000579862970 1080186949 /nfs/dbraw/zinc/18/69/49/1080186949.db2.gz ZBXHVMIIGAVNGQ-JTQLQIEISA-N 1 1 369.296 4.255 20 30 FIEDMO C=CCCO[C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000109251679 1080233575 /nfs/dbraw/zinc/23/35/75/1080233575.db2.gz KVZPUXXNUPMQGI-GOSISDBHSA-N 1 1 358.526 4.049 20 30 FIEDMO Cc1cccc2c1ncc(C#N)c2N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000610244909 1080512521 /nfs/dbraw/zinc/51/25/21/1080512521.db2.gz ARGCBKHDRVYLQB-UXBLZVDNSA-N 1 1 368.484 4.250 20 30 FIEDMO C=C1CCC(C(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)CC1 ZINC001266435489 1080842132 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FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)cc1 ZINC000177617171 1081254311 /nfs/dbraw/zinc/25/43/11/1081254311.db2.gz ZTLQHWAVWVOOQH-LFYBBSHMSA-N 1 1 354.413 4.263 20 30 FIEDMO COc1ccc(CC[N@@H+](Cc2ccccc2)Cc2cc(C#N)ccn2)cc1 ZINC001167309992 1081269592 /nfs/dbraw/zinc/26/95/92/1081269592.db2.gz LQRHVPMTIVYDBB-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000579992231 1081378147 /nfs/dbraw/zinc/37/81/47/1081378147.db2.gz ZCTXXVOBDRZHNW-DLBZAZTESA-N 1 1 369.534 4.065 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177686226 1081531270 /nfs/dbraw/zinc/53/12/70/1081531270.db2.gz RTYRAIIILNQFGW-CALCHBBNSA-N 1 1 353.535 4.387 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177686226 1081531276 /nfs/dbraw/zinc/53/12/76/1081531276.db2.gz RTYRAIIILNQFGW-CALCHBBNSA-N 1 1 353.535 4.387 20 30 FIEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2c(Cl)cc(C)cc21 ZINC000572858520 1081745431 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20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167463787 1082584404 /nfs/dbraw/zinc/58/44/04/1082584404.db2.gz BIZWDGXDSNEKDZ-AQNXPRMDSA-N 1 1 369.509 4.158 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167463787 1082584410 /nfs/dbraw/zinc/58/44/10/1082584410.db2.gz BIZWDGXDSNEKDZ-AQNXPRMDSA-N 1 1 369.509 4.158 20 30 FIEDMO C[C@@H](C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000581447567 1082589924 /nfs/dbraw/zinc/58/99/24/1082589924.db2.gz ZXPJZFOSGOILSE-OALUTQOASA-N 1 1 350.506 4.474 20 30 FIEDMO Cc1ccsc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051233617 1082909205 /nfs/dbraw/zinc/90/92/05/1082909205.db2.gz VWFBYDPVKSPLDJ-UHFFFAOYSA-N 1 1 355.507 4.052 20 30 FIEDMO Cc1ccsc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051233617 1082909208 /nfs/dbraw/zinc/90/92/08/1082909208.db2.gz VWFBYDPVKSPLDJ-UHFFFAOYSA-N 1 1 355.507 4.052 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(OC)cc1 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N#CCSCCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525924 1086206434 /nfs/dbraw/zinc/20/64/34/1086206434.db2.gz BSAAOAYZTOLTQB-HNNXBMFYSA-N 1 1 371.369 4.262 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000289706335 1086522447 /nfs/dbraw/zinc/52/24/47/1086522447.db2.gz OTDXOMVQLURZRW-PGRDOPGGSA-N 1 1 371.488 4.442 20 30 FIEDMO N#Cc1ccncc1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000094148884 1086538893 /nfs/dbraw/zinc/53/88/93/1086538893.db2.gz HOOLEHVXKATTFG-UHFFFAOYSA-N 1 1 360.383 4.049 20 30 FIEDMO C=CCc1cc(C[NH2+]Cc2c(Cl)nc3ccccn32)cc(OC)c1OC ZINC000105478124 1086555954 /nfs/dbraw/zinc/55/59/54/1086555954.db2.gz BONSDAZKOIICIG-UHFFFAOYSA-N 1 1 371.868 4.023 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(COCC)c1 ZINC000512037009 1086680325 /nfs/dbraw/zinc/68/03/25/1086680325.db2.gz CYSGWQHNJBSLCM-UHFFFAOYSA-N 1 1 350.462 4.292 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)c1OC(F)F ZINC000512069748 1086734111 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C=CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000514082882 1088721727 /nfs/dbraw/zinc/72/17/27/1088721727.db2.gz IZXLJEKYFGUFNF-HTAPYJJXSA-N 1 1 353.462 4.222 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000514082882 1088721743 /nfs/dbraw/zinc/72/17/43/1088721743.db2.gz IZXLJEKYFGUFNF-HTAPYJJXSA-N 1 1 353.462 4.222 20 30 FIEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000434767684 1089026568 /nfs/dbraw/zinc/02/65/68/1089026568.db2.gz JERSOHQBSFAHHT-UHFFFAOYSA-N 1 1 353.441 4.245 20 30 FIEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000472673810 1089049492 /nfs/dbraw/zinc/04/94/92/1089049492.db2.gz YZZDWTQRGXSFNG-YOEHRIQHSA-N 1 1 371.308 4.114 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000472673810 1089049505 /nfs/dbraw/zinc/04/95/05/1089049505.db2.gz YZZDWTQRGXSFNG-YOEHRIQHSA-N 1 1 371.308 4.114 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc21 ZINC000434841814 1089068822 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FIEDMO COc1cc(C)[nH+]c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1 ZINC000425366687 1089593722 /nfs/dbraw/zinc/59/37/22/1089593722.db2.gz QGJYOZGDLQJIQU-CQSZACIVSA-N 1 1 363.383 4.332 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000425365978 1089595808 /nfs/dbraw/zinc/59/58/08/1089595808.db2.gz NPHRMJAXJNVSAQ-VGSWGCGISA-N 1 1 350.462 4.309 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000514918353 1089606163 /nfs/dbraw/zinc/60/61/63/1089606163.db2.gz ZYPWAEKCPPKQOD-IFMALSPDSA-N 1 1 367.489 4.001 20 30 FIEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000549292263 1089609393 /nfs/dbraw/zinc/60/93/93/1089609393.db2.gz QXXSVRJWNFGVAZ-UHFFFAOYSA-N 1 1 373.589 4.460 20 30 FIEDMO C=CCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472837989 1089712864 /nfs/dbraw/zinc/71/28/64/1089712864.db2.gz XYFGVTKAUMJPPG-SFTDATJTSA-N 1 1 355.526 4.039 20 30 FIEDMO N#Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000312434751 1090679182 /nfs/dbraw/zinc/67/91/82/1090679182.db2.gz AXVWRPHCQYBXDR-IBGZPJMESA-N 1 1 356.473 4.431 20 30 FIEDMO C[C@@H]1C[C@@H](CCNc2c(C#N)nnc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000511605905 1090691968 /nfs/dbraw/zinc/69/19/68/1090691968.db2.gz XGHOLIZIJPJHAI-IEBWSBKVSA-N 1 1 371.488 4.214 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1OC ZINC000511632640 1090916664 /nfs/dbraw/zinc/91/66/64/1090916664.db2.gz XUVZBHUPTQAKFF-QFIPXVFZSA-N 1 1 353.462 4.006 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014930068 1091030635 /nfs/dbraw/zinc/03/06/35/1091030635.db2.gz OJRUKGFMWJCQLD-BLLLJJGKSA-N 1 1 359.882 4.437 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014930068 1091030642 /nfs/dbraw/zinc/03/06/42/1091030642.db2.gz OJRUKGFMWJCQLD-BLLLJJGKSA-N 1 1 359.882 4.437 20 30 FIEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2(C#N)CCC2)c1 ZINC000418145370 1091081740 /nfs/dbraw/zinc/08/17/40/1091081740.db2.gz XRUIFZPAFGSODI-UHFFFAOYSA-N 1 1 352.482 4.097 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)CC(CC)CC)c1=S ZINC000123895602 1091282443 /nfs/dbraw/zinc/28/24/43/1091282443.db2.gz RIDVVWUEVKJPOY-UHFFFAOYSA-N 1 1 359.543 4.378 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)CC(CC)CC)c1=S ZINC000123895602 1091282450 /nfs/dbraw/zinc/28/24/50/1091282450.db2.gz RIDVVWUEVKJPOY-UHFFFAOYSA-N 1 1 359.543 4.378 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000512208873 1091911545 /nfs/dbraw/zinc/91/15/45/1091911545.db2.gz IOBRANWZDMXUKC-QVKFZJNVSA-N 1 1 369.534 4.258 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)s1 ZINC000512212356 1091916962 /nfs/dbraw/zinc/91/69/62/1091916962.db2.gz NMHXTYQFBOKSNS-UHFFFAOYSA-N 1 1 356.285 4.174 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)s1 ZINC000512212356 1091916963 /nfs/dbraw/zinc/91/69/63/1091916963.db2.gz NMHXTYQFBOKSNS-UHFFFAOYSA-N 1 1 356.285 4.174 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)c(C#N)c1C ZINC000512263981 1091975040 /nfs/dbraw/zinc/97/50/40/1091975040.db2.gz XXSRXFIMEWCDGC-AWEZNQCLSA-N 1 1 353.491 4.401 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]([C@@H](C)c2ccccc2)C2CC2)c(C#N)c1C ZINC000512263981 1091975046 /nfs/dbraw/zinc/97/50/46/1091975046.db2.gz XXSRXFIMEWCDGC-AWEZNQCLSA-N 1 1 353.491 4.401 20 30 FIEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000428170890 1092237999 /nfs/dbraw/zinc/23/79/99/1092237999.db2.gz KVARGRDLCLLQBG-MRXNPFEDSA-N 1 1 360.436 4.129 20 30 FIEDMO C=CCC[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccco1 ZINC000428238174 1092342475 /nfs/dbraw/zinc/34/24/75/1092342475.db2.gz KVJLIFAQYKYFGS-HNNXBMFYSA-N 1 1 360.255 4.487 20 30 FIEDMO C=CCN(CC=C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500681695 1092362077 /nfs/dbraw/zinc/36/20/77/1092362077.db2.gz DAQRGGPJUPXFNM-KDURUIRLSA-N 1 1 355.526 4.048 20 30 FIEDMO CC(C)N(CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000520956400 1092383020 /nfs/dbraw/zinc/38/30/20/1092383020.db2.gz WIAXNUIMLGPTIN-UHFFFAOYSA-N 1 1 365.521 4.346 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000521091078 1092490251 /nfs/dbraw/zinc/49/02/51/1092490251.db2.gz DORGQMPCUACTLH-JOCHJYFZSA-N 1 1 372.468 4.139 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442299045 1092561108 /nfs/dbraw/zinc/56/11/08/1092561108.db2.gz XQPMKYZWCKCUMW-KRWDZBQOSA-N 1 1 369.431 4.060 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000500844316 1092635986 /nfs/dbraw/zinc/63/59/86/1092635986.db2.gz YTGKUWMSILKOEC-GHMZBOCLSA-N 1 1 363.795 4.168 20 30 FIEDMO C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549697711 1092706619 /nfs/dbraw/zinc/70/66/19/1092706619.db2.gz PHAGYIXYSBEEJW-RTBURBONSA-N 1 1 371.573 4.213 20 30 FIEDMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000443071335 1092928002 /nfs/dbraw/zinc/92/80/02/1092928002.db2.gz QADLQGQSWNATAM-UWJYYQICSA-N 1 1 350.462 4.137 20 30 FIEDMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F)O[C@H](C)C2 ZINC000512628609 1093031201 /nfs/dbraw/zinc/03/12/01/1093031201.db2.gz FPGGLFLFYZJMCH-KGLIPLIRSA-N 1 1 354.425 4.270 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000614167984 1093037329 /nfs/dbraw/zinc/03/73/29/1093037329.db2.gz IVPHBGRGQZFIFN-OAQYLSRUSA-N 1 1 361.489 4.115 20 30 FIEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168184 1093039071 /nfs/dbraw/zinc/03/90/71/1093039071.db2.gz WVUNHZZRACKTSL-NRFANRHFSA-N 1 1 364.489 4.094 20 30 FIEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168184 1093039077 /nfs/dbraw/zinc/03/90/77/1093039077.db2.gz WVUNHZZRACKTSL-NRFANRHFSA-N 1 1 364.489 4.094 20 30 FIEDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(OC[C@H]2CCCO2)c1 ZINC000512636915 1093056033 /nfs/dbraw/zinc/05/60/33/1093056033.db2.gz PSIDIJUDSZWZSM-VQIMIIECSA-N 1 1 368.452 4.414 20 30 FIEDMO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512649472 1093071418 /nfs/dbraw/zinc/07/14/18/1093071418.db2.gz SDXVDQKSRNGNDC-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C)cc(Br)c1O ZINC001204983460 1093074076 /nfs/dbraw/zinc/07/40/76/1093074076.db2.gz AUMJWXFUCXOEJO-UHFFFAOYSA-N 1 1 350.256 4.287 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C)cc(Br)c1O ZINC001204983460 1093074090 /nfs/dbraw/zinc/07/40/90/1093074090.db2.gz AUMJWXFUCXOEJO-UHFFFAOYSA-N 1 1 350.256 4.287 20 30 FIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113264949 1093084082 /nfs/dbraw/zinc/08/40/82/1093084082.db2.gz QFAQCLZETDVKAY-FQEVSTJZSA-N 1 1 353.491 4.002 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1ccc(C#N)cc1F ZINC000512661941 1093088315 /nfs/dbraw/zinc/08/83/15/1093088315.db2.gz UYKZTVCDUDYZMY-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655816 1093090524 /nfs/dbraw/zinc/09/05/24/1093090524.db2.gz WRWOQUCAZGOWNL-FUHIMQAGSA-N 1 1 351.469 4.401 20 30 FIEDMO C[C@@H](NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(C#N)cc1F ZINC000512659182 1093096892 /nfs/dbraw/zinc/09/68/92/1093096892.db2.gz DNCVBMNUOKIEAR-MRXNPFEDSA-N 1 1 361.530 4.100 20 30 FIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000433060117 1093167895 /nfs/dbraw/zinc/16/78/95/1093167895.db2.gz WYZBRZNAJLUVRA-HXUWFJFHSA-N 1 1 358.445 4.160 20 30 FIEDMO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000542282888 1093221465 /nfs/dbraw/zinc/22/14/65/1093221465.db2.gz XJKBAHUGFVCFMN-HNNXBMFYSA-N 1 1 354.885 4.016 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1F ZINC000404819876 1093306582 /nfs/dbraw/zinc/30/65/82/1093306582.db2.gz CWFPHPUQTHGNJH-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443647818 1093395711 /nfs/dbraw/zinc/39/57/11/1093395711.db2.gz LUBHDOIJHISBRP-MRXNPFEDSA-N 1 1 352.384 4.337 20 30 FIEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000467274686 1093528484 /nfs/dbraw/zinc/52/84/84/1093528484.db2.gz IJSWRQLUBQOYMV-QGZVFWFLSA-N 1 1 355.400 4.075 20 30 FIEDMO COC1(C(F)(F)F)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000419310527 1093539376 /nfs/dbraw/zinc/53/93/76/1093539376.db2.gz CETLFPUIYBHEND-UHFFFAOYSA-N 1 1 365.317 4.100 20 30 FIEDMO C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508819252 1093636959 /nfs/dbraw/zinc/63/69/59/1093636959.db2.gz XZCRYKPFEKGUBL-CEXWTWQISA-N 1 1 359.562 4.068 20 30 FIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000474362686 1093712599 /nfs/dbraw/zinc/71/25/99/1093712599.db2.gz KCVRYSLAIKXVDS-UHFFFAOYSA-N 1 1 363.461 4.329 20 30 FIEDMO CC(C)C[C@H](C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1 ZINC000474391295 1093733689 /nfs/dbraw/zinc/73/36/89/1093733689.db2.gz LTBAQOCDNMYPBA-REHUZNOOSA-N 1 1 373.500 4.162 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000513068829 1093756166 /nfs/dbraw/zinc/75/61/66/1093756166.db2.gz KXPAOMYNIVBHNQ-BVKOHWRASA-N 1 1 367.537 4.242 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000513068834 1093756302 /nfs/dbraw/zinc/75/63/02/1093756302.db2.gz KXPAOMYNIVBHNQ-RNWQKYJXSA-N 1 1 367.537 4.242 20 30 FIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3coc4ccc(F)cc34)C2)cc1 ZINC001141858416 1093789310 /nfs/dbraw/zinc/78/93/10/1093789310.db2.gz KVNWZTVBXOGMFP-IBGZPJMESA-N 1 1 350.393 4.487 20 30 FIEDMO C=CCOc1cccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000513090676 1093819921 /nfs/dbraw/zinc/81/99/21/1093819921.db2.gz VTMPURCTWURHNG-JOCHJYFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000513090676 1093819929 /nfs/dbraw/zinc/81/99/29/1093819929.db2.gz VTMPURCTWURHNG-JOCHJYFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(OCC#N)cc1 ZINC000729267222 1093954409 /nfs/dbraw/zinc/95/44/09/1093954409.db2.gz MECDSHRVEBOVMR-UHFFFAOYSA-N 1 1 351.269 4.045 20 30 FIEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1Br ZINC000428297060 1094279359 /nfs/dbraw/zinc/27/93/59/1094279359.db2.gz SEKGNWXWRSTKIA-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO C=CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000513690960 1094316952 /nfs/dbraw/zinc/31/69/52/1094316952.db2.gz OUPSKUHGHREDGM-INIZCTEOSA-N 1 1 353.871 4.004 20 30 FIEDMO C=CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000513690961 1094317576 /nfs/dbraw/zinc/31/75/76/1094317576.db2.gz OUPSKUHGHREDGM-MRXNPFEDSA-N 1 1 353.871 4.004 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2c1cccc2O ZINC000329013362 1094711629 /nfs/dbraw/zinc/71/16/29/1094711629.db2.gz IZKHHWKROCTHNK-CDHQVMDDSA-N 1 1 350.462 4.104 20 30 FIEDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1OC1CCCC1 ZINC000329133990 1094752912 /nfs/dbraw/zinc/75/29/12/1094752912.db2.gz BMDCXXSEATXWOG-KRWDZBQOSA-N 1 1 372.509 4.338 20 30 FIEDMO CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329202183 1094778533 /nfs/dbraw/zinc/77/85/33/1094778533.db2.gz XXXHZJAOSPFAGN-OAHLLOKOSA-N 1 1 372.538 4.122 20 30 FIEDMO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)sc1C ZINC000329339790 1094848851 /nfs/dbraw/zinc/84/88/51/1094848851.db2.gz NXNJCXMNIWUURC-XJKSGUPXSA-N 1 1 369.494 4.033 20 30 FIEDMO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)sc1C ZINC000329339790 1094848864 /nfs/dbraw/zinc/84/88/64/1094848864.db2.gz NXNJCXMNIWUURC-XJKSGUPXSA-N 1 1 369.494 4.033 20 30 FIEDMO COc1ccc([C@H]2CC[N@H+](Cc3cc(Br)ccc3C#N)C2)cc1 ZINC001141905041 1094862865 /nfs/dbraw/zinc/86/28/65/1094862865.db2.gz NRUUDKRDDJQMQP-INIZCTEOSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(Br)ccc3C#N)C2)cc1 ZINC001141905041 1094862879 /nfs/dbraw/zinc/86/28/79/1094862879.db2.gz NRUUDKRDDJQMQP-INIZCTEOSA-N 1 1 371.278 4.319 20 30 FIEDMO C[C@H]1CC([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168044111 1094885298 /nfs/dbraw/zinc/88/52/98/1094885298.db2.gz FKOMIPJOOCNFOH-OALUTQOASA-N 1 1 359.517 4.358 20 30 FIEDMO C[C@H]1CC([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168044111 1094885320 /nfs/dbraw/zinc/88/53/20/1094885320.db2.gz FKOMIPJOOCNFOH-OALUTQOASA-N 1 1 359.517 4.358 20 30 FIEDMO Cc1cnccc1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329417834 1094893203 /nfs/dbraw/zinc/89/32/03/1094893203.db2.gz DNCHBONOPBYJCO-LJQANCHMSA-N 1 1 366.509 4.396 20 30 FIEDMO Cc1cnc([C@H]([NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)s1 ZINC000329425203 1094900030 /nfs/dbraw/zinc/90/00/30/1094900030.db2.gz ITUSINTULYQSGS-XAPRQVHKSA-N 1 1 359.539 4.418 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC(=O)N1 ZINC000329455648 1094915565 /nfs/dbraw/zinc/91/55/65/1094915565.db2.gz PVXHMAVTTCMMLJ-AAJLLMFJSA-N 1 1 363.889 4.187 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC(=O)N1 ZINC000329455648 1094915567 /nfs/dbraw/zinc/91/55/67/1094915567.db2.gz PVXHMAVTTCMMLJ-AAJLLMFJSA-N 1 1 363.889 4.187 20 30 FIEDMO COc1ncc(C)cc1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329482950 1094930718 /nfs/dbraw/zinc/93/07/18/1094930718.db2.gz RRHVZQGMPWREKT-INIZCTEOSA-N 1 1 368.481 4.493 20 30 FIEDMO CC(C)(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)c1cccnc1 ZINC000329499197 1094937066 /nfs/dbraw/zinc/93/70/66/1094937066.db2.gz XZXBYNXULWIVBP-UHFFFAOYSA-N 1 1 373.541 4.129 20 30 FIEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cc1F ZINC000618805576 1095028138 /nfs/dbraw/zinc/02/81/38/1095028138.db2.gz ITBXGHRNAXTGIF-HWPZZCPQSA-N 1 1 360.230 4.193 20 30 FIEDMO C=CC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000522635905 1095202149 /nfs/dbraw/zinc/20/21/49/1095202149.db2.gz BYORZPKEZAHCFW-ZDUSSCGKSA-N 1 1 370.324 4.222 20 30 FIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1nc2ccccc2s1 ZINC000329804999 1095271759 /nfs/dbraw/zinc/27/17/59/1095271759.db2.gz KONUZKFQQDYGNK-UAGQMJEPSA-N 1 1 373.522 4.290 20 30 FIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCc1ccc(Cl)s1 ZINC000329811889 1095275127 /nfs/dbraw/zinc/27/51/27/1095275127.db2.gz MXYBZNIVLDAKFU-XHSDSOJGSA-N 1 1 370.946 4.264 20 30 FIEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000329951300 1095326866 /nfs/dbraw/zinc/32/68/66/1095326866.db2.gz MITJJHNBVHBEIS-LAUBAEHRSA-N 1 1 374.488 4.350 20 30 FIEDMO CC1(C)CCCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502323417 1095350253 /nfs/dbraw/zinc/35/02/53/1095350253.db2.gz WCJIIUVTACHQDJ-OAQYLSRUSA-N 1 1 367.537 4.199 20 30 FIEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000330024387 1095355677 /nfs/dbraw/zinc/35/56/77/1095355677.db2.gz JTAQXFFBZYPPFX-IEBWSBKVSA-N 1 1 361.445 4.426 20 30 FIEDMO N#CCC1(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000430045826 1095413909 /nfs/dbraw/zinc/41/39/09/1095413909.db2.gz ZYXITVVUBRXFNY-UHFFFAOYSA-N 1 1 362.296 4.356 20 30 FIEDMO O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330289340 1095450102 /nfs/dbraw/zinc/45/01/02/1095450102.db2.gz DUAYPHOKACLEPR-FQEVSTJZSA-N 1 1 352.482 4.126 20 30 FIEDMO O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330290468 1095454421 /nfs/dbraw/zinc/45/44/21/1095454421.db2.gz FWHCZGABUXZHAN-LJQANCHMSA-N 1 1 355.482 4.199 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000502450947 1095470969 /nfs/dbraw/zinc/47/09/69/1095470969.db2.gz QWIQIVMTDPBJDN-GOSISDBHSA-N 1 1 365.477 4.028 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000502450947 1095470982 /nfs/dbraw/zinc/47/09/82/1095470982.db2.gz QWIQIVMTDPBJDN-GOSISDBHSA-N 1 1 365.477 4.028 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1Br ZINC000502465741 1095493788 /nfs/dbraw/zinc/49/37/88/1095493788.db2.gz QQOIHFBIQWHNGV-OAHLLOKOSA-N 1 1 373.294 4.464 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1Br ZINC000502465741 1095493793 /nfs/dbraw/zinc/49/37/93/1095493793.db2.gz QQOIHFBIQWHNGV-OAHLLOKOSA-N 1 1 373.294 4.464 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000502500507 1095518950 /nfs/dbraw/zinc/51/89/50/1095518950.db2.gz WDDNZCARZIBCBR-FYYLOGMGSA-N 1 1 351.490 4.130 20 30 FIEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502539718 1095563769 /nfs/dbraw/zinc/56/37/69/1095563769.db2.gz ISUPHEREOGOQFJ-INIZCTEOSA-N 1 1 363.436 4.122 20 30 FIEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502539718 1095563784 /nfs/dbraw/zinc/56/37/84/1095563784.db2.gz ISUPHEREOGOQFJ-INIZCTEOSA-N 1 1 363.436 4.122 20 30 FIEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502545968 1095572786 /nfs/dbraw/zinc/57/27/86/1095572786.db2.gz ZGBHXQRFXAHHRJ-RTBURBONSA-N 1 1 373.500 4.222 20 30 FIEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502545968 1095572802 /nfs/dbraw/zinc/57/28/02/1095572802.db2.gz ZGBHXQRFXAHHRJ-RTBURBONSA-N 1 1 373.500 4.222 20 30 FIEDMO CC(C)CCn1nc(C[NH2+]Cc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000421385230 1095588167 /nfs/dbraw/zinc/58/81/67/1095588167.db2.gz QDBRRMSKKONZHJ-UHFFFAOYSA-N 1 1 350.441 4.383 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1 ZINC000016434724 1095676117 /nfs/dbraw/zinc/67/61/17/1095676117.db2.gz WXZFRKJQKBRUDH-KRWDZBQOSA-N 1 1 355.507 4.305 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1 ZINC000016434724 1095676127 /nfs/dbraw/zinc/67/61/27/1095676127.db2.gz WXZFRKJQKBRUDH-KRWDZBQOSA-N 1 1 355.507 4.305 20 30 FIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000281976797 1095803071 /nfs/dbraw/zinc/80/30/71/1095803071.db2.gz LOJUIOIZZHBXGD-UHFFFAOYSA-N 1 1 365.315 4.372 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2Cl)c(C#N)c1C ZINC000183799500 1096195612 /nfs/dbraw/zinc/19/56/12/1096195612.db2.gz DCTYFBGMEWVBDD-MNOVXSKESA-N 1 1 363.820 4.238 20 30 FIEDMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(C)(C#N)CC1 ZINC000503300159 1096347328 /nfs/dbraw/zinc/34/73/28/1096347328.db2.gz CTUUKFOZIWVDKY-UHFFFAOYSA-N 1 1 351.450 4.158 20 30 FIEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000515412969 1098564027 /nfs/dbraw/zinc/56/40/27/1098564027.db2.gz NXJDEXHVGBNKND-NQIIRXRSSA-N 1 1 369.505 4.165 20 30 FIEDMO N#Cc1cnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c(Cl)c1 ZINC000515438118 1098591515 /nfs/dbraw/zinc/59/15/15/1098591515.db2.gz ZMAPVYZGDHPIQC-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000532963758 1098632577 /nfs/dbraw/zinc/63/25/77/1098632577.db2.gz WMADLWMRVQINEL-YJBOKZPZSA-N 1 1 357.523 4.141 20 30 FIEDMO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)CC1CC1 ZINC000532981434 1098651028 /nfs/dbraw/zinc/65/10/28/1098651028.db2.gz IQIRENOHYNPOLO-UHFFFAOYSA-N 1 1 350.462 4.378 20 30 FIEDMO C=C(C)COc1cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1OC ZINC000532985401 1098655293 /nfs/dbraw/zinc/65/52/93/1098655293.db2.gz HKTRLNGZUJLDIL-FQEVSTJZSA-N 1 1 360.542 4.108 20 30 FIEDMO C=C(C)COc1cc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC ZINC000532985401 1098655297 /nfs/dbraw/zinc/65/52/97/1098655297.db2.gz HKTRLNGZUJLDIL-FQEVSTJZSA-N 1 1 360.542 4.108 20 30 FIEDMO C=CCOc1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000236674046 1098681467 /nfs/dbraw/zinc/68/14/67/1098681467.db2.gz KGITWFPUIIRESF-UHFFFAOYSA-N 1 1 350.506 4.048 20 30 FIEDMO CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)c1ccc(C#N)cc1 ZINC000505789616 1098908811 /nfs/dbraw/zinc/90/88/11/1098908811.db2.gz HODJPQDNAMYHNK-JRGCBEDISA-N 1 1 353.510 4.122 20 30 FIEDMO C=CC1CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)CC1 ZINC000533287332 1098936655 /nfs/dbraw/zinc/93/66/55/1098936655.db2.gz YVWWPHYOCNFLON-STQMWFEESA-N 1 1 357.523 4.481 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425533142 1098979055 /nfs/dbraw/zinc/97/90/55/1098979055.db2.gz KKYTVYFUYZEEDD-IBGZPJMESA-N 1 1 374.488 4.115 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425533142 1098979056 /nfs/dbraw/zinc/97/90/56/1098979056.db2.gz 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C[C@H]1C[C@@H]([N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000193062386 1107081396 /nfs/dbraw/zinc/08/13/96/1107081396.db2.gz RSXCBYQIXYYVDM-REWPJTCUSA-N 1 1 361.533 4.301 20 30 FIEDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451739580 1107295722 /nfs/dbraw/zinc/29/57/22/1107295722.db2.gz KMOBOAFHTOAZRX-HSZRJFAPSA-N 1 1 361.533 4.302 20 30 FIEDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451739580 1107295726 /nfs/dbraw/zinc/29/57/26/1107295726.db2.gz KMOBOAFHTOAZRX-HSZRJFAPSA-N 1 1 361.533 4.302 20 30 FIEDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451739580 1107295737 /nfs/dbraw/zinc/29/57/37/1107295737.db2.gz KMOBOAFHTOAZRX-HSZRJFAPSA-N 1 1 361.533 4.302 20 30 FIEDMO C[C@H]1C[C@H](N(C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000121372931 1107603248 /nfs/dbraw/zinc/60/32/48/1107603248.db2.gz CQPKPUAGSOBFAK-LAUBAEHRSA-N 1 1 351.469 4.182 20 30 FIEDMO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000121372931 1107603260 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C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000072879276 1107891541 /nfs/dbraw/zinc/89/15/41/1107891541.db2.gz SWJZOTYFOPCGET-HOTGVXAUSA-N 1 1 355.869 4.326 20 30 FIEDMO CC[N@H+]1C[C@@H](C)N(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000444671000 1108074103 /nfs/dbraw/zinc/07/41/03/1108074103.db2.gz CJUAWDIZOXSIEB-LEWJYISDSA-N 1 1 361.533 4.301 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000444682722 1108083409 /nfs/dbraw/zinc/08/34/09/1108083409.db2.gz BIPYKGCPUSIEFG-GOSISDBHSA-N 1 1 351.498 4.371 20 30 FIEDMO N#CC(CC[N@H+]1CCc2cc[nH]c(=O)c2C1)(c1ccccc1)c1ccccc1 ZINC000444699210 1108104214 /nfs/dbraw/zinc/10/42/14/1108104214.db2.gz MXBLDMFIWCAHEG-UHFFFAOYSA-N 1 1 369.468 4.045 20 30 FIEDMO Cc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)ccc1F ZINC000444746707 1108147496 /nfs/dbraw/zinc/14/74/96/1108147496.db2.gz YWBZKKVKJQDNBX-UHFFFAOYSA-N 1 1 373.859 4.166 20 30 FIEDMO Cc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)ccc1F ZINC000444746707 1108147507 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C[C@@H]([NH2+]C(C)(C)CNCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000152247792 1119172530 /nfs/dbraw/zinc/17/25/30/1119172530.db2.gz OSKYHNOBXXTKAT-LJQANCHMSA-N 1 1 364.537 4.255 20 30 FIEDMO C#Cc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000174784429 1119861271 /nfs/dbraw/zinc/86/12/71/1119861271.db2.gz NMQUVZYSVYKBLC-UHFFFAOYSA-N 1 1 373.456 4.215 20 30 FIEDMO C#Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000174784429 1119861275 /nfs/dbraw/zinc/86/12/75/1119861275.db2.gz NMQUVZYSVYKBLC-UHFFFAOYSA-N 1 1 373.456 4.215 20 30 FIEDMO C=CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000189224019 1119863754 /nfs/dbraw/zinc/86/37/54/1119863754.db2.gz YCJXCJOHUSHEJP-HJNYFJLDSA-N 1 1 352.522 4.212 20 30 FIEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000189873345 1119919397 /nfs/dbraw/zinc/91/93/97/1119919397.db2.gz IDMFCWZIZZFTKJ-YJBOKZPZSA-N 1 1 364.892 4.335 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000542508367 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N#Cc1ccc([C@H](O)C[N@@H+](CCc2ccccc2F)C2CCCC2)cc1 ZINC000763408109 1121577196 /nfs/dbraw/zinc/57/71/96/1121577196.db2.gz PCJQOWHQMXKSKZ-JOCHJYFZSA-N 1 1 352.453 4.218 20 30 FIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652458 1121860145 /nfs/dbraw/zinc/86/01/45/1121860145.db2.gz MWDCJHRIUIOKBY-UHFFFAOYSA-N 1 1 361.489 4.075 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCC[C@@H]1O ZINC000497211678 1121906510 /nfs/dbraw/zinc/90/65/10/1121906510.db2.gz AREHOKBZRLDYMG-GGAORHGYSA-N 1 1 364.489 4.120 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000126194230 1121934102 /nfs/dbraw/zinc/93/41/02/1121934102.db2.gz BQVCYUXTIYXOCT-HUUCEWRRSA-N 1 1 373.859 4.465 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000073491366 1121998926 /nfs/dbraw/zinc/99/89/26/1121998926.db2.gz CSKJFIOHEXZJPT-SFHVURJKSA-N 1 1 352.482 4.075 20 30 FIEDMO CC(C)Oc1cc(F)c(F)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001212222083 1122101321 /nfs/dbraw/zinc/10/13/21/1122101321.db2.gz GLFJFCQYBRFOMF-UHFFFAOYSA-N 1 1 363.433 4.417 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497594126 1122302815 /nfs/dbraw/zinc/30/28/15/1122302815.db2.gz QKGINSUQURTSMK-WZONZLPQSA-N 1 1 363.505 4.455 20 30 FIEDMO CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617469 1122319260 /nfs/dbraw/zinc/31/92/60/1122319260.db2.gz DTIFBEVXWSRILX-KXBFYZLASA-N 1 1 358.869 4.034 20 30 FIEDMO CC[N@H+](CC(=O)N1CCSc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000497620077 1122321135 /nfs/dbraw/zinc/32/11/35/1122321135.db2.gz XIDBGEPFTFRRMZ-MRXNPFEDSA-N 1 1 365.502 4.080 20 30 FIEDMO CC[N@@H+](CC(=O)N1CCSc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000497620077 1122321142 /nfs/dbraw/zinc/32/11/42/1122321142.db2.gz XIDBGEPFTFRRMZ-MRXNPFEDSA-N 1 1 365.502 4.080 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000556136276 1122688727 /nfs/dbraw/zinc/68/87/27/1122688727.db2.gz JFKSXHGUNRSFNH-UHFFFAOYSA-N 1 1 359.514 4.226 20 30 FIEDMO CON=Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000918604361 1122718819 /nfs/dbraw/zinc/71/88/19/1122718819.db2.gz IYYZMYPJDKIYHE-KRWDZBQOSA-N 1 1 365.477 4.151 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)c2)c1 ZINC000556609497 1122998112 /nfs/dbraw/zinc/99/81/12/1122998112.db2.gz UGTMULFRXILKJJ-XZOQPEGZSA-N 1 1 362.473 4.281 20 30 FIEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072692230 1123124837 /nfs/dbraw/zinc/12/48/37/1123124837.db2.gz PINYEWMCOJZSTM-UHFFFAOYSA-N 1 1 372.538 4.089 20 30 FIEDMO N#Cc1ccc2ncc(C[N@@H+]3CCc4ccccc4[C@@H]3c3ccccc3)n2c1 ZINC000556946977 1123266324 /nfs/dbraw/zinc/26/63/24/1123266324.db2.gz XEIHTGXMGLLKKF-DEOSSOPVSA-N 1 1 364.452 4.354 20 30 FIEDMO N#Cc1ccc2ncc(C[N@H+]3CCc4ccccc4[C@@H]3c3ccccc3)n2c1 ZINC000556946977 1123266329 /nfs/dbraw/zinc/26/63/29/1123266329.db2.gz XEIHTGXMGLLKKF-DEOSSOPVSA-N 1 1 364.452 4.354 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1Cl ZINC000557053119 1123342207 /nfs/dbraw/zinc/34/22/07/1123342207.db2.gz QGOKSPXXCYHDRM-UHFFFAOYSA-N 1 1 371.843 4.083 20 30 FIEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1OCC ZINC000920180601 1123398042 /nfs/dbraw/zinc/39/80/42/1123398042.db2.gz PFCDJZRLIDLRQC-UHFFFAOYSA-N 1 1 374.278 4.150 20 30 FIEDMO C[C@@H](N[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccccc1 ZINC000920383865 1123450805 /nfs/dbraw/zinc/45/08/05/1123450805.db2.gz ZGTGFEBSTQCOBV-OAHLLOKOSA-N 1 1 367.884 4.276 20 30 FIEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000609316257 1123454825 /nfs/dbraw/zinc/45/48/25/1123454825.db2.gz KTBBGDOZHAYCSW-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO CCCCCCCCOCc1cccc(NC(=O)N2CC[NH+](C)CC2)c1 ZINC000920873859 1123532844 /nfs/dbraw/zinc/53/28/44/1123532844.db2.gz VGCRJJRGCFAICH-UHFFFAOYSA-N 1 1 361.530 4.343 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000609323173 1123540794 /nfs/dbraw/zinc/54/07/94/1123540794.db2.gz XLAPLPAZOBSZEY-UHFFFAOYSA-N 1 1 367.518 4.060 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCc3sccc3C2)c1 ZINC000609323173 1123540795 /nfs/dbraw/zinc/54/07/95/1123540795.db2.gz XLAPLPAZOBSZEY-UHFFFAOYSA-N 1 1 367.518 4.060 20 30 FIEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000135105484 1123717285 /nfs/dbraw/zinc/71/72/85/1123717285.db2.gz ZBHVVFOHUCTMAE-UHFFFAOYSA-N 1 1 352.478 4.445 20 30 FIEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609517429 1123735187 /nfs/dbraw/zinc/73/51/87/1123735187.db2.gz KMHAAPSHYSTDNJ-QGZVFWFLSA-N 1 1 365.477 4.005 20 30 FIEDMO COc1ccc(CC[N@H+](Cc2ccccc2C#N)CC(C)C)cc1OC ZINC000609672548 1123789941 /nfs/dbraw/zinc/78/99/41/1123789941.db2.gz MXBDTWDHVLMYAU-UHFFFAOYSA-N 1 1 352.478 4.276 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000609822880 1123850792 /nfs/dbraw/zinc/85/07/92/1123850792.db2.gz OPMYVDYRPIGCLR-MRXNPFEDSA-N 1 1 368.550 4.191 20 30 FIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004220 1123914795 /nfs/dbraw/zinc/91/47/95/1123914795.db2.gz FLFAQHRDOKCVQD-WIYYLYMNSA-N 1 1 353.510 4.111 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075842958 1123995316 /nfs/dbraw/zinc/99/53/16/1123995316.db2.gz GICQRWRFPYOCJB-KUHUBIRLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075842958 1123995317 /nfs/dbraw/zinc/99/53/17/1123995317.db2.gz GICQRWRFPYOCJB-KUHUBIRLSA-N 1 1 362.408 4.330 20 30 FIEDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245452520 1124037003 /nfs/dbraw/zinc/03/70/03/1124037003.db2.gz QLDSDNGUKQEDGN-OXQOHEQNSA-N 1 1 359.539 4.389 20 30 FIEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245452520 1124037009 /nfs/dbraw/zinc/03/70/09/1124037009.db2.gz QLDSDNGUKQEDGN-OXQOHEQNSA-N 1 1 359.539 4.389 20 30 FIEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000615673982 1124053242 /nfs/dbraw/zinc/05/32/42/1124053242.db2.gz RECFJIPBBWXGAY-UHFFFAOYSA-N 1 1 373.541 4.047 20 30 FIEDMO N#CCCCOc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237820773 1124118706 /nfs/dbraw/zinc/11/87/06/1124118706.db2.gz UGVVDTUXKGYALD-UHFFFAOYSA-N 1 1 363.505 4.123 20 30 FIEDMO C[C@H](C[N@@H+](C)Cc1ccnc(C#N)c1)Oc1ccc(Cl)c(Cl)c1 ZINC000615808578 1124124146 /nfs/dbraw/zinc/12/41/46/1124124146.db2.gz KXHWWPLEPKPSGY-GFCCVEGCSA-N 1 1 350.249 4.159 20 30 FIEDMO N#Cc1cccnc1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000301109754 1124192877 /nfs/dbraw/zinc/19/28/77/1124192877.db2.gz QZWBOKNZXNAFKI-LJQANCHMSA-N 1 1 360.486 4.226 20 30 FIEDMO N#Cc1cccnc1NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000301109754 1124192880 /nfs/dbraw/zinc/19/28/80/1124192880.db2.gz QZWBOKNZXNAFKI-LJQANCHMSA-N 1 1 360.486 4.226 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000245700294 1124209216 /nfs/dbraw/zinc/20/92/16/1124209216.db2.gz DBONWEVCINNUPC-WOJBJXKFSA-N 1 1 366.534 4.324 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301372874 1124222947 /nfs/dbraw/zinc/22/29/47/1124222947.db2.gz QCTSDUDJBSFVLO-HNNXBMFYSA-N 1 1 367.453 4.081 20 30 FIEDMO Cc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)c(N2CCCC2)[nH+]1 ZINC000302026929 1124277899 /nfs/dbraw/zinc/27/78/99/1124277899.db2.gz ACUQDRFAZIQFRA-UHFFFAOYSA-N 1 1 360.383 4.493 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000302037040 1124279142 /nfs/dbraw/zinc/27/91/42/1124279142.db2.gz PVRQBYRKILJSTD-UHFFFAOYSA-N 1 1 369.468 4.236 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000302194514 1124294064 /nfs/dbraw/zinc/29/40/64/1124294064.db2.gz DCLKMPAXVRUHGV-KBXCAEBGSA-N 1 1 356.451 4.023 20 30 FIEDMO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CCCCC1 ZINC001272883436 1124344152 /nfs/dbraw/zinc/34/41/52/1124344152.db2.gz NWZHIHRWQTVEOH-FQEVSTJZSA-N 1 1 354.538 4.494 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000302829948 1124356525 /nfs/dbraw/zinc/35/65/25/1124356525.db2.gz PRJMPDLTMFBNAW-PZJWPPBQSA-N 1 1 364.399 4.242 20 30 FIEDMO N#Cc1cccc(C#N)c1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000302878319 1124362621 /nfs/dbraw/zinc/36/26/21/1124362621.db2.gz GZUGSDALUILBLM-SFHVURJKSA-N 1 1 370.378 4.135 20 30 FIEDMO C=CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C1CC1 ZINC001127604947 1124367005 /nfs/dbraw/zinc/36/70/05/1124367005.db2.gz YVTHCPJHFBMZOI-ILBGXUMGSA-N 1 1 374.528 4.253 20 30 FIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2cccc(F)c2)n1 ZINC000554746614 1124415704 /nfs/dbraw/zinc/41/57/04/1124415704.db2.gz ZFYQPTIHWJNHQA-UHFFFAOYSA-N 1 1 365.408 4.001 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2cccc(F)c2)n1 ZINC000554746614 1124415712 /nfs/dbraw/zinc/41/57/12/1124415712.db2.gz ZFYQPTIHWJNHQA-UHFFFAOYSA-N 1 1 365.408 4.001 20 30 FIEDMO CC(C)[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000123212461 1124458847 /nfs/dbraw/zinc/45/88/47/1124458847.db2.gz KLGNFAWOVIKFBG-UHFFFAOYSA-N 1 1 350.397 4.158 20 30 FIEDMO CC(C)[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000123212461 1124458870 /nfs/dbraw/zinc/45/88/70/1124458870.db2.gz KLGNFAWOVIKFBG-UHFFFAOYSA-N 1 1 350.397 4.158 20 30 FIEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246416997 1124496064 /nfs/dbraw/zinc/49/60/64/1124496064.db2.gz BRXLFQSOONEVIG-SJORKVTESA-N 1 1 359.539 4.389 20 30 FIEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246416997 1124496068 /nfs/dbraw/zinc/49/60/68/1124496068.db2.gz BRXLFQSOONEVIG-SJORKVTESA-N 1 1 359.539 4.389 20 30 FIEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000554837728 1124533823 /nfs/dbraw/zinc/53/38/23/1124533823.db2.gz UAMIVXIHSJBBQN-UHFFFAOYSA-N 1 1 358.445 4.231 20 30 FIEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246618770 1124541738 /nfs/dbraw/zinc/54/17/38/1124541738.db2.gz GCIFSMCYDUSQRE-LSDHHAIUSA-N 1 1 365.568 4.093 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+](C3CC3)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000072580436 1124559244 /nfs/dbraw/zinc/55/92/44/1124559244.db2.gz ITYQSFAPPDSYRG-HXUWFJFHSA-N 1 1 356.429 4.260 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@@H+](C3CC3)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000072580436 1124559255 /nfs/dbraw/zinc/55/92/55/1124559255.db2.gz ITYQSFAPPDSYRG-HXUWFJFHSA-N 1 1 356.429 4.260 20 30 FIEDMO CCCCOc1ccc(-c2nnc(C[NH+]3CCC(CC#N)CC3)o2)cc1 ZINC000542880782 1124561670 /nfs/dbraw/zinc/56/16/70/1124561670.db2.gz IITYIVMHJQIXMK-UHFFFAOYSA-N 1 1 354.454 4.041 20 30 FIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000140204689 1124589224 /nfs/dbraw/zinc/58/92/24/1124589224.db2.gz UTESTJGXXQEPGK-QFIPXVFZSA-N 1 1 372.472 4.278 20 30 FIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000140204689 1124589228 /nfs/dbraw/zinc/58/92/28/1124589228.db2.gz UTESTJGXXQEPGK-QFIPXVFZSA-N 1 1 372.472 4.278 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000247177362 1124595964 /nfs/dbraw/zinc/59/59/64/1124595964.db2.gz PFVXHMTXDZZBSN-HUUCEWRRSA-N 1 1 357.523 4.140 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000247989673 1124735765 /nfs/dbraw/zinc/73/57/65/1124735765.db2.gz IYCVKUSWRVCUSM-PMACEKPBSA-N 1 1 362.477 4.055 20 30 FIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)c(OC(F)F)c(F)c3)sc2C1 ZINC001212445475 1124880919 /nfs/dbraw/zinc/88/09/19/1124880919.db2.gz RFFUZFLZROGARQ-UHFFFAOYSA-N 1 1 371.359 4.231 20 30 FIEDMO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181397470 1124904366 /nfs/dbraw/zinc/90/43/66/1124904366.db2.gz FGVFZORTXZCTDJ-HNNXBMFYSA-N 1 1 355.432 4.152 20 30 FIEDMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000181424335 1124917534 /nfs/dbraw/zinc/91/75/34/1124917534.db2.gz PRDMENOLCKRIHW-UHFFFAOYSA-N 1 1 360.413 4.285 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000250689618 1124925814 /nfs/dbraw/zinc/92/58/14/1124925814.db2.gz JAQFJPUIARPTIJ-UZUQRXQVSA-N 1 1 363.505 4.420 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000064249546 1124982788 /nfs/dbraw/zinc/98/27/88/1124982788.db2.gz KBHHZSVBYMXOGF-INIZCTEOSA-N 1 1 373.909 4.309 20 30 FIEDMO COc1cccc(F)c1[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181824069 1125149632 /nfs/dbraw/zinc/14/96/32/1125149632.db2.gz HCALIBLYNMVTLO-MRXNPFEDSA-N 1 1 367.468 4.021 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000077372383 1125184765 /nfs/dbraw/zinc/18/47/65/1125184765.db2.gz ODNMGDUWPXRYIP-OAHLLOKOSA-N 1 1 353.491 4.422 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1)C(C)C ZINC000618789480 1125279743 /nfs/dbraw/zinc/27/97/43/1125279743.db2.gz JGHWEIQSNGFQNX-QFIPXVFZSA-N 1 1 361.489 4.206 20 30 FIEDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000618804814 1125284533 /nfs/dbraw/zinc/28/45/33/1125284533.db2.gz MLAXWAFPIABANK-QVKFZJNVSA-N 1 1 357.461 4.094 20 30 FIEDMO C=C[C@H](CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001128346598 1125440224 /nfs/dbraw/zinc/44/02/24/1125440224.db2.gz IIUQVNSAGCPUBQ-NFBKMPQASA-N 1 1 362.517 4.373 20 30 FIEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370225 567822284 /nfs/dbraw/zinc/82/22/84/567822284.db2.gz ITBJCPVQQLAHLS-AUUYWEPGSA-N 1 1 356.514 4.151 20 30 FIEDMO CCC1CCC([N@@H+](CC(=O)N(CCC#N)c2ccccc2)C2CC2)CC1 ZINC000603856391 568168263 /nfs/dbraw/zinc/16/82/63/568168263.db2.gz SENQHWCJRDSKEZ-UHFFFAOYSA-N 1 1 353.510 4.366 20 30 FIEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000522790610 568200655 /nfs/dbraw/zinc/20/06/55/568200655.db2.gz GTEDARXSQUDNKO-LJQANCHMSA-N 1 1 356.514 4.264 20 30 FIEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC000569044881 568281161 /nfs/dbraw/zinc/28/11/61/568281161.db2.gz UQNRGGLDEZDPGW-UHFFFAOYSA-N 1 1 363.383 4.230 20 30 FIEDMO CCNc1ccc(C#N)cc1NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000569230564 568315850 /nfs/dbraw/zinc/31/58/50/568315850.db2.gz RCKRXACFIYRMMX-UHFFFAOYSA-N 1 1 362.477 4.227 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569963563 568444609 /nfs/dbraw/zinc/44/46/09/568444609.db2.gz ILSIMOSJRIIRDX-BETUJISGSA-N 1 1 359.417 4.001 20 30 FIEDMO N#Cc1cccc(C2(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)c1 ZINC000570298989 568473626 /nfs/dbraw/zinc/47/36/26/568473626.db2.gz BYVQRILCUBPFAB-YMPZKCBVSA-N 1 1 357.501 4.048 20 30 FIEDMO N#Cc1cccc(C2(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)c1 ZINC000570298989 568473627 /nfs/dbraw/zinc/47/36/27/568473627.db2.gz BYVQRILCUBPFAB-YMPZKCBVSA-N 1 1 357.501 4.048 20 30 FIEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000570606497 568490714 /nfs/dbraw/zinc/49/07/14/568490714.db2.gz SMRFEPNOSKNFSY-INIZCTEOSA-N 1 1 355.511 4.165 20 30 FIEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570635374 568492755 /nfs/dbraw/zinc/49/27/55/568492755.db2.gz DUSPQIDBMVCWLC-UHFFFAOYSA-N 1 1 359.813 4.153 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(CC)o1 ZINC000605187457 568615020 /nfs/dbraw/zinc/61/50/20/568615020.db2.gz YYOHHKCQTPCOKH-ICSRJNTNSA-N 1 1 355.478 4.147 20 30 FIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570931046 568726682 /nfs/dbraw/zinc/72/66/82/568726682.db2.gz CHGKEDPOXHEPFR-AUUYWEPGSA-N 1 1 353.447 4.145 20 30 FIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570931046 568726685 /nfs/dbraw/zinc/72/66/85/568726685.db2.gz CHGKEDPOXHEPFR-AUUYWEPGSA-N 1 1 353.447 4.145 20 30 FIEDMO CN(Cc1ccc(C#N)cc1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001165018281 721836874 /nfs/dbraw/zinc/83/68/74/721836874.db2.gz VULLYXQWYCPSHI-UHFFFAOYSA-N 1 1 368.484 4.148 20 30 FIEDMO COc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000093690348 1125493248 /nfs/dbraw/zinc/49/32/48/1125493248.db2.gz JEXHNCFTKYEPJV-FXAWDEMLSA-N 1 1 360.523 4.238 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763556933 1125564663 /nfs/dbraw/zinc/56/46/63/1125564663.db2.gz MGNNNBIVQFIJBC-FGZHOGPDSA-N 1 1 374.488 4.359 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763556938 1125565226 /nfs/dbraw/zinc/56/52/26/1125565226.db2.gz MGNNNBIVQFIJBC-YADHBBJMSA-N 1 1 374.488 4.359 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000619620291 1125641803 /nfs/dbraw/zinc/64/18/03/1125641803.db2.gz KDJNAVQLBKBQKF-NHCUHLMSSA-N 1 1 356.510 4.187 20 30 FIEDMO CCCCCCCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001266263787 1079610673 /nfs/dbraw/zinc/61/06/73/1079610673.db2.gz XGNAQOZNLFAGNA-OALUTQOASA-N 1 1 360.542 4.386 20 30 FIEDMO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000610215266 1079982244 /nfs/dbraw/zinc/98/22/44/1079982244.db2.gz NUXVQPRPOGRLKX-JOCHJYFZSA-N 1 1 361.489 4.469 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000610215439 1079987247 /nfs/dbraw/zinc/98/72/47/1079987247.db2.gz RWBJHGOFCLUDEQ-UHFFFAOYSA-N 1 1 354.450 4.374 20 30 FIEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000610216725 1079994560 /nfs/dbraw/zinc/99/45/60/1079994560.db2.gz LBRCKNNKWBJPCW-MRXNPFEDSA-N 1 1 367.880 4.033 20 30 FIEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000610216725 1079994562 /nfs/dbraw/zinc/99/45/62/1079994562.db2.gz LBRCKNNKWBJPCW-MRXNPFEDSA-N 1 1 367.880 4.033 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c(OC)c1 ZINC000179617161 1080213258 /nfs/dbraw/zinc/21/32/58/1080213258.db2.gz UQWIAPUZFGNNRH-UHFFFAOYSA-N 1 1 354.450 4.018 20 30 FIEDMO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)Cc2ccc(C#N)cc2)cn1 ZINC000430262112 1080220531 /nfs/dbraw/zinc/22/05/31/1080220531.db2.gz VJWYZKJIDJTRPF-UHFFFAOYSA-N 1 1 350.853 4.148 20 30 FIEDMO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(C#N)cc2)cn1 ZINC000430262112 1080220538 /nfs/dbraw/zinc/22/05/38/1080220538.db2.gz VJWYZKJIDJTRPF-UHFFFAOYSA-N 1 1 350.853 4.148 20 30 FIEDMO C=C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001625820874 1080304407 /nfs/dbraw/zinc/30/44/07/1080304407.db2.gz AQIMSRJKLFKNGE-JTHBVZDNSA-N 1 1 362.517 4.375 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1OCCCC#N ZINC000179908498 1080353117 /nfs/dbraw/zinc/35/31/17/1080353117.db2.gz QMQGOKQZKJPMHM-HXUWFJFHSA-N 1 1 350.462 4.497 20 30 FIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000179987631 1080401349 /nfs/dbraw/zinc/40/13/49/1080401349.db2.gz NWSGRAORJFTBCL-UHFFFAOYSA-N 1 1 367.456 4.019 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167116694 1080578364 /nfs/dbraw/zinc/57/83/64/1080578364.db2.gz URDSLUXSYMGPCP-IEBWSBKVSA-N 1 1 374.525 4.186 20 30 FIEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695328 /nfs/dbraw/zinc/69/53/28/1080695328.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 1 1 371.569 4.131 20 30 FIEDMO C=CCCCCCCC[N@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695337 /nfs/dbraw/zinc/69/53/37/1080695337.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 1 1 371.569 4.131 20 30 FIEDMO CCCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](C)c1ccc(C)o1 ZINC001167233776 1080883090 /nfs/dbraw/zinc/88/30/90/1080883090.db2.gz PHQLIPYEVUVHGC-PKOBYXMFSA-N 1 1 356.466 4.063 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1)C1CC1 ZINC000547864848 1080990742 /nfs/dbraw/zinc/99/07/42/1080990742.db2.gz OVEZGSAPVNDXIA-UHFFFAOYSA-N 1 1 374.488 4.069 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000530734726 1081005386 /nfs/dbraw/zinc/00/53/86/1081005386.db2.gz PHGFTPIDZNSWPP-KGLIPLIRSA-N 1 1 364.461 4.280 20 30 FIEDMO CCCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC001167294010 1081118185 /nfs/dbraw/zinc/11/81/85/1081118185.db2.gz FHEDITCRYVEAOS-UHFFFAOYSA-N 1 1 353.441 4.328 20 30 FIEDMO COc1cc(C[NH2+]CCC#N)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000497710326 1081164197 /nfs/dbraw/zinc/16/41/97/1081164197.db2.gz HWRTXFUTDPLEOF-UHFFFAOYSA-N 1 1 364.367 4.296 20 30 FIEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc(C#N)s2)C1 ZINC000176949111 1081171072 /nfs/dbraw/zinc/17/10/72/1081171072.db2.gz KYQQUQNTSUOGTG-IAGOWNOFSA-N 1 1 353.535 4.387 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000255123046 1081293899 /nfs/dbraw/zinc/29/38/99/1081293899.db2.gz DICIAOJTGOGJQO-FJCDDACJSA-N 1 1 357.413 4.368 20 30 FIEDMO C=C[C@H](Cc1nc(CCCCn2c[nH+]c(C)c2C)no1)c1ccccc1 ZINC000656037574 1081488226 /nfs/dbraw/zinc/48/82/26/1081488226.db2.gz ILHSPOLYUJVOQG-GOSISDBHSA-N 1 1 350.466 4.418 20 30 FIEDMO C=CCCn1cc(CNc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000656114428 1081577828 /nfs/dbraw/zinc/57/78/28/1081577828.db2.gz UKBZJOLXTHNIEB-UHFFFAOYSA-N 1 1 353.514 4.231 20 30 FIEDMO Cc1noc(C)c1C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001207137908 1082144269 /nfs/dbraw/zinc/14/42/69/1082144269.db2.gz XFMDSWVGTBNFKD-UHFFFAOYSA-N 1 1 374.282 4.111 20 30 FIEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959714 1082301762 /nfs/dbraw/zinc/30/17/62/1082301762.db2.gz CQVRKVGEONAMCS-HUUCEWRRSA-N 1 1 369.431 4.096 20 30 FIEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001167463914 1082586792 /nfs/dbraw/zinc/58/67/92/1082586792.db2.gz DLXNASTWTFECPA-UHFFFAOYSA-N 1 1 366.408 4.313 20 30 FIEDMO C=C(C)Cn1c(CC)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000558989120 1082831481 /nfs/dbraw/zinc/83/14/81/1082831481.db2.gz KAEZQGIBEHCKSN-UHFFFAOYSA-N 1 1 361.578 4.001 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000510540460 1083148139 /nfs/dbraw/zinc/14/81/39/1083148139.db2.gz VSCCBGCONJFELC-UHFFFAOYSA-N 1 1 372.472 4.113 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000510540460 1083148145 /nfs/dbraw/zinc/14/81/45/1083148145.db2.gz VSCCBGCONJFELC-UHFFFAOYSA-N 1 1 372.472 4.113 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091841516 1083300755 /nfs/dbraw/zinc/30/07/55/1083300755.db2.gz QSIHHODPMPOJKC-UHFFFAOYSA-N 1 1 365.864 4.330 20 30 FIEDMO CC1(c2ccccc2)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000510779478 1083310097 /nfs/dbraw/zinc/31/00/97/1083310097.db2.gz IIXQJRBPDKMTDI-UHFFFAOYSA-N 1 1 367.880 4.204 20 30 FIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3c(F)cccc3C#N)c2C1 ZINC000510815493 1083326493 /nfs/dbraw/zinc/32/64/93/1083326493.db2.gz QTDURMYHKFXGLC-UHFFFAOYSA-N 1 1 365.452 4.240 20 30 FIEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452498 1083408263 /nfs/dbraw/zinc/40/82/63/1083408263.db2.gz KIAVAGOOPQZTPS-MRXNPFEDSA-N 1 1 351.288 4.152 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452498 1083408267 /nfs/dbraw/zinc/40/82/67/1083408267.db2.gz KIAVAGOOPQZTPS-MRXNPFEDSA-N 1 1 351.288 4.152 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(C#N)c1 ZINC000092504579 1083413149 /nfs/dbraw/zinc/41/31/49/1083413149.db2.gz QBUHQTCGMOYLCU-UHFFFAOYSA-N 1 1 356.429 4.329 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccccc2)O1 ZINC000092486288 1083417858 /nfs/dbraw/zinc/41/78/58/1083417858.db2.gz WSVDYVRHTWQEMW-PGRDOPGGSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](c2ccccc2)O1 ZINC000092486288 1083417862 /nfs/dbraw/zinc/41/78/62/1083417862.db2.gz WSVDYVRHTWQEMW-PGRDOPGGSA-N 1 1 350.462 4.331 20 30 FIEDMO CC(C)N1CC[NH+](CCCSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000188329188 1083509406 /nfs/dbraw/zinc/50/94/06/1083509406.db2.gz RQXVBQVWMNPGSE-UHFFFAOYSA-N 1 1 371.472 4.085 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612236510 1083629120 /nfs/dbraw/zinc/62/91/20/1083629120.db2.gz IDYPNUFDEGLDIG-HSZRJFAPSA-N 1 1 361.489 4.084 20 30 FIEDMO COc1ccccc1COC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000535792056 1083666166 /nfs/dbraw/zinc/66/61/66/1083666166.db2.gz NKWHKUMIJRKZGJ-UHFFFAOYSA-N 1 1 369.892 4.381 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cncc(Br)c2)cc1 ZINC000588476444 1083754210 /nfs/dbraw/zinc/75/42/10/1083754210.db2.gz MUDOBLOWKRYBDH-UQCOIBPSSA-N 1 1 368.234 4.234 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000535841654 1083797795 /nfs/dbraw/zinc/79/77/95/1083797795.db2.gz ATMXYSKAAJWHDH-UHFFFAOYSA-N 1 1 354.400 4.491 20 30 FIEDMO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1ccc(C)o1 ZINC000610932490 1083856399 /nfs/dbraw/zinc/85/63/99/1083856399.db2.gz YUJWNGXTTNPVAH-OAHLLOKOSA-N 1 1 357.454 4.471 20 30 FIEDMO CCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1ccc(C)o1 ZINC000610932490 1083856401 /nfs/dbraw/zinc/85/64/01/1083856401.db2.gz YUJWNGXTTNPVAH-OAHLLOKOSA-N 1 1 357.454 4.471 20 30 FIEDMO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)(C)C#N)cc1 ZINC000612588053 1083929635 /nfs/dbraw/zinc/92/96/35/1083929635.db2.gz OMZHRNPXZDXPTE-UHFFFAOYSA-N 1 1 374.488 4.246 20 30 FIEDMO C#CCCOc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000236685727 1083970572 /nfs/dbraw/zinc/97/05/72/1083970572.db2.gz UGWGJMXYCKXEDD-UHFFFAOYSA-N 1 1 362.517 4.364 20 30 FIEDMO COCCCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000180031223 1084079243 /nfs/dbraw/zinc/07/92/43/1084079243.db2.gz SLAYRBZLSXIHBL-UHFFFAOYSA-N 1 1 350.462 4.138 20 30 FIEDMO CCn1nc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000472063406 1084211423 /nfs/dbraw/zinc/21/14/23/1084211423.db2.gz NYFGKWZSCAKQSE-UHFFFAOYSA-N 1 1 357.379 4.216 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000177708503 1084243184 /nfs/dbraw/zinc/24/31/84/1084243184.db2.gz ZMGLFINEADNDAP-JOCHJYFZSA-N 1 1 361.420 4.001 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000934196872 1084275552 /nfs/dbraw/zinc/27/55/52/1084275552.db2.gz FPYSPQMWLYSVOT-NWDGAFQWSA-N 1 1 374.535 4.023 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000611566641 1084297640 /nfs/dbraw/zinc/29/76/40/1084297640.db2.gz RFSYLQGBTOWPRO-LPHOPBHVSA-N 1 1 354.498 4.265 20 30 FIEDMO CCC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001167509951 1084335747 /nfs/dbraw/zinc/33/57/47/1084335747.db2.gz RJVMYJYFVMJVNY-XOBRGWDASA-N 1 1 359.539 4.338 20 30 FIEDMO CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001167509951 1084335763 /nfs/dbraw/zinc/33/57/63/1084335763.db2.gz RJVMYJYFVMJVNY-XOBRGWDASA-N 1 1 359.539 4.338 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000472115549 1084374978 /nfs/dbraw/zinc/37/49/78/1084374978.db2.gz PBJLQOZKIOYODR-PZJWPPBQSA-N 1 1 369.553 4.427 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000613383667 1084678002 /nfs/dbraw/zinc/67/80/02/1084678002.db2.gz CKSDLLODNHQZLZ-NHCUHLMSSA-N 1 1 355.453 4.131 20 30 FIEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000613446546 1084743863 /nfs/dbraw/zinc/74/38/63/1084743863.db2.gz KYHSDHHTZGFDCJ-UHFFFAOYSA-N 1 1 358.526 4.078 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2cc3ccccc3o2)c(-c2ccc(C#N)cc2)n1 ZINC000180205927 1084894314 /nfs/dbraw/zinc/89/43/14/1084894314.db2.gz MIUWTENPBPDAQN-UHFFFAOYSA-N 1 1 356.429 4.337 20 30 FIEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC001167575425 1085020225 /nfs/dbraw/zinc/02/02/25/1085020225.db2.gz ACSCCCZMUMZVPE-MRXNPFEDSA-N 1 1 362.260 4.303 20 30 FIEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC001167575425 1085020235 /nfs/dbraw/zinc/02/02/35/1085020235.db2.gz ACSCCCZMUMZVPE-MRXNPFEDSA-N 1 1 362.260 4.303 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158946926 1085065747 /nfs/dbraw/zinc/06/57/47/1085065747.db2.gz RAFOAFDOQUITNO-UHFFFAOYSA-N 1 1 355.526 4.053 20 30 FIEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150207676 1085086669 /nfs/dbraw/zinc/08/66/69/1085086669.db2.gz ALHDEDBULXLZDI-CQSZACIVSA-N 1 1 364.474 4.190 20 30 FIEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431444020 1085116753 /nfs/dbraw/zinc/11/67/53/1085116753.db2.gz IGVCKUGRUOBHEO-RTWAWAEBSA-N 1 1 370.541 4.231 20 30 FIEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399818 /nfs/dbraw/zinc/39/98/18/1085399818.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399870 /nfs/dbraw/zinc/39/98/70/1085399870.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 1 1 353.535 4.443 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399874 /nfs/dbraw/zinc/39/98/74/1085399874.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 1 1 353.535 4.443 20 30 FIEDMO C=CC[N@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H](C)COC ZINC000661239229 1085477008 /nfs/dbraw/zinc/47/70/08/1085477008.db2.gz DJYPMSARMSYLQW-CYBMUJFWSA-N 1 1 354.372 4.383 20 30 FIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H](C)COC ZINC000661239229 1085477011 /nfs/dbraw/zinc/47/70/11/1085477011.db2.gz DJYPMSARMSYLQW-CYBMUJFWSA-N 1 1 354.372 4.383 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1ccc(F)c(F)c1 ZINC000187765312 1085497607 /nfs/dbraw/zinc/49/76/07/1085497607.db2.gz QYLNDEPDUUDSDW-HXUWFJFHSA-N 1 1 360.404 4.127 20 30 FIEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526556 1085667704 /nfs/dbraw/zinc/66/77/04/1085667704.db2.gz IYUUOMIAKNIWNN-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526556 1085667708 /nfs/dbraw/zinc/66/77/08/1085667708.db2.gz IYUUOMIAKNIWNN-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000046527774 1085692795 /nfs/dbraw/zinc/69/27/95/1085692795.db2.gz XGFDBSFGKOQOIH-KRWDZBQOSA-N 1 1 357.457 4.021 20 30 FIEDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000046527774 1085692806 /nfs/dbraw/zinc/69/28/06/1085692806.db2.gz XGFDBSFGKOQOIH-KRWDZBQOSA-N 1 1 357.457 4.021 20 30 FIEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000582782633 1085715235 /nfs/dbraw/zinc/71/52/35/1085715235.db2.gz HAYNGZFJLCSZGE-RBUKOAKNSA-N 1 1 356.510 4.374 20 30 FIEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000473159712 1085938209 /nfs/dbraw/zinc/93/82/09/1085938209.db2.gz JDCFWXPSFOVBAS-UHFFFAOYSA-N 1 1 371.406 4.469 20 30 FIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000468279358 1086069435 /nfs/dbraw/zinc/06/94/35/1086069435.db2.gz XHOKOJDDWKHCDU-QZTJIDSGSA-N 1 1 365.235 4.094 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cccnc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000583057222 1086099314 /nfs/dbraw/zinc/09/93/14/1086099314.db2.gz LCMHTCSEVCRSQW-HNAYVOBHSA-N 1 1 374.410 4.467 20 30 FIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000583062781 1086130086 /nfs/dbraw/zinc/13/00/86/1086130086.db2.gz SNWFPQIVAFTPAV-CQSZACIVSA-N 1 1 374.366 4.426 20 30 FIEDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167654185 1086254659 /nfs/dbraw/zinc/25/46/59/1086254659.db2.gz YEBURWKHKACAEJ-GOSISDBHSA-N 1 1 371.431 4.390 20 30 FIEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001167654185 1086254675 /nfs/dbraw/zinc/25/46/75/1086254675.db2.gz YEBURWKHKACAEJ-GOSISDBHSA-N 1 1 371.431 4.390 20 30 FIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419087 1086260093 /nfs/dbraw/zinc/26/00/93/1086260093.db2.gz LNVFAMBNSBDTIN-KDOFPFPSSA-N 1 1 356.293 4.320 20 30 FIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001203419087 1086260110 /nfs/dbraw/zinc/26/01/10/1086260110.db2.gz LNVFAMBNSBDTIN-KDOFPFPSSA-N 1 1 356.293 4.320 20 30 FIEDMO C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511236741 1086559583 /nfs/dbraw/zinc/55/95/83/1086559583.db2.gz XFUDWQUEKZBOTG-AZUAARDMSA-N 1 1 361.574 4.417 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC000105492243 1086561525 /nfs/dbraw/zinc/56/15/25/1086561525.db2.gz CPXRMJCOIKVGRC-LJQANCHMSA-N 1 1 353.853 4.377 20 30 FIEDMO C=CCc1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc(OC)c1OC ZINC000155963388 1086596772 /nfs/dbraw/zinc/59/67/72/1086596772.db2.gz UOMDWOBNROOJDP-UHFFFAOYSA-N 1 1 364.445 4.377 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000054012061 1086631072 /nfs/dbraw/zinc/63/10/72/1086631072.db2.gz OPBHSWTYFVIJQK-UHFFFAOYSA-N 1 1 358.445 4.373 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000585753716 1086688282 /nfs/dbraw/zinc/68/82/82/1086688282.db2.gz BFJODSGRSPYOLZ-UHFFFAOYSA-N 1 1 369.459 4.478 20 30 FIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000583456006 1086699724 /nfs/dbraw/zinc/69/97/24/1086699724.db2.gz KAAYZWKPVXTMFP-SNVBAGLBSA-N 1 1 360.177 4.001 20 30 FIEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnc2ccccn21 ZINC000583472720 1086720408 /nfs/dbraw/zinc/72/04/08/1086720408.db2.gz YHHKFDZXGDFFEQ-KRWDZBQOSA-N 1 1 373.382 4.107 20 30 FIEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CC(C)(C)C#N)c1 ZINC000583491437 1086735838 /nfs/dbraw/zinc/73/58/38/1086735838.db2.gz XBVJJASULGHUCT-UHFFFAOYSA-N 1 1 354.498 4.295 20 30 FIEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000583491437 1086735843 /nfs/dbraw/zinc/73/58/43/1086735843.db2.gz XBVJJASULGHUCT-UHFFFAOYSA-N 1 1 354.498 4.295 20 30 FIEDMO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000279005496 1086752138 /nfs/dbraw/zinc/75/21/38/1086752138.db2.gz UJKGKVYKSKYGFT-ZCFIWIBFSA-N 1 1 372.281 4.027 20 30 FIEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000329220800 1086771229 /nfs/dbraw/zinc/77/12/29/1086771229.db2.gz BOPQTYFGAOCEOX-INIZCTEOSA-N 1 1 369.513 4.069 20 30 FIEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000156972235 1086808239 /nfs/dbraw/zinc/80/82/39/1086808239.db2.gz MFTHOPDUXLEFID-HOCLYGCPSA-N 1 1 369.856 4.013 20 30 FIEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000156972235 1086808258 /nfs/dbraw/zinc/80/82/58/1086808258.db2.gz MFTHOPDUXLEFID-HOCLYGCPSA-N 1 1 369.856 4.013 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246712265 1086948321 /nfs/dbraw/zinc/94/83/21/1086948321.db2.gz KKUKJPGNXGYBAA-OAGGEKHMSA-N 1 1 360.527 4.027 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246712279 1086949045 /nfs/dbraw/zinc/94/90/45/1086949045.db2.gz KKUKJPGNXGYBAA-XHSDSOJGSA-N 1 1 360.527 4.027 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000472310122 1087152212 /nfs/dbraw/zinc/15/22/12/1087152212.db2.gz KDYKZQMOPKDBPL-RTWAWAEBSA-N 1 1 365.477 4.208 20 30 FIEDMO N#Cc1csc(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000584082900 1087159461 /nfs/dbraw/zinc/15/94/61/1087159461.db2.gz QSTPDXDMTLHSDX-UHFFFAOYSA-N 1 1 353.422 4.023 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000052843170 1087196383 /nfs/dbraw/zinc/19/63/83/1087196383.db2.gz QOVVRFKKRUALIG-SFHVURJKSA-N 1 1 361.489 4.220 20 30 FIEDMO C=C(C)[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000248556508 1087221948 /nfs/dbraw/zinc/22/19/48/1087221948.db2.gz LJHLGBXYHVODMK-KXBFYZLASA-N 1 1 365.468 4.002 20 30 FIEDMO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000584331165 1087271226 /nfs/dbraw/zinc/27/12/26/1087271226.db2.gz OAEPGKKZEFYJBE-UHFFFAOYSA-N 1 1 362.452 4.298 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187785470 1087305267 /nfs/dbraw/zinc/30/52/67/1087305267.db2.gz PWHPBDXWPUVEHN-LHSJRXKWSA-N 1 1 374.431 4.058 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187787256 1087310599 /nfs/dbraw/zinc/31/05/99/1087310599.db2.gz YVOKHGGNTRNHBD-ZMZPIMSZSA-N 1 1 366.358 4.477 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000165910718 1087510253 /nfs/dbraw/zinc/51/02/53/1087510253.db2.gz WRKAAKGUUZHADR-GOSISDBHSA-N 1 1 367.880 4.247 20 30 FIEDMO N#CCCC[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000544069933 1087583278 /nfs/dbraw/zinc/58/32/78/1087583278.db2.gz ACBXFNKYQOWONB-QGZVFWFLSA-N 1 1 361.367 4.279 20 30 FIEDMO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)cc1C#N ZINC000708569658 1087587016 /nfs/dbraw/zinc/58/70/16/1087587016.db2.gz JFBQFEDOWDUZHL-KBXCAEBGSA-N 1 1 354.885 4.095 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000472347473 1087662361 /nfs/dbraw/zinc/66/23/61/1087662361.db2.gz YRYYVTKCNVHZHU-BXWFABGCSA-N 1 1 365.477 4.048 20 30 FIEDMO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1cccc(F)c1 ZINC000472354989 1087713471 /nfs/dbraw/zinc/71/34/71/1087713471.db2.gz VVTYMCCEHSWUJT-VLIAUNLRSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1cccc(F)c1 ZINC000472354989 1087713474 /nfs/dbraw/zinc/71/34/74/1087713474.db2.gz VVTYMCCEHSWUJT-VLIAUNLRSA-N 1 1 362.408 4.330 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424121948 1087778409 /nfs/dbraw/zinc/77/84/09/1087778409.db2.gz IRLYEIVFBJSLFV-CDXJDZJCSA-N 1 1 363.461 4.047 20 30 FIEDMO COc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1OCCCC#N ZINC000424188446 1087832570 /nfs/dbraw/zinc/83/25/70/1087832570.db2.gz CCPYXHNLHJHNQL-LEWJYISDSA-N 1 1 354.425 4.105 20 30 FIEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000180735878 1088050861 /nfs/dbraw/zinc/05/08/61/1088050861.db2.gz OYTWFJJELYLRIF-RXVVDRJESA-N 1 1 351.519 4.106 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(Br)c1 ZINC000181044061 1088234072 /nfs/dbraw/zinc/23/40/72/1088234072.db2.gz ABDFQTMXOLXCFX-CQSZACIVSA-N 1 1 362.296 4.157 20 30 FIEDMO CC(C)[N@H+]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000505301466 1088334603 /nfs/dbraw/zinc/33/46/03/1088334603.db2.gz ITPIJLYMCGBQID-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)CC(F)(F)F)cc1 ZINC000189612286 1088536355 /nfs/dbraw/zinc/53/63/55/1088536355.db2.gz JKZJKPVLOGGQDP-GOSISDBHSA-N 1 1 366.358 4.013 20 30 FIEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513976607 1088574511 /nfs/dbraw/zinc/57/45/11/1088574511.db2.gz ZUBSUPZGPKOLCJ-SWWFSWNPSA-N 1 1 373.500 4.391 20 30 FIEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513976608 1088575675 /nfs/dbraw/zinc/57/56/75/1088575675.db2.gz ZUBSUPZGPKOLCJ-XKPFWTEKSA-N 1 1 373.500 4.391 20 30 FIEDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000514117613 1088783340 /nfs/dbraw/zinc/78/33/40/1088783340.db2.gz YWYQVNYJKVKFIG-UHFFFAOYSA-N 1 1 371.868 4.071 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000514348974 1089027643 /nfs/dbraw/zinc/02/76/43/1089027643.db2.gz PMUFHRQRXIMAEP-SFTDATJTSA-N 1 1 355.453 4.131 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000434899522 1089118096 /nfs/dbraw/zinc/11/80/96/1089118096.db2.gz IJRYYEGCNVGPQR-RHSMWYFYSA-N 1 1 353.491 4.053 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000434899522 1089118104 /nfs/dbraw/zinc/11/81/04/1089118104.db2.gz IJRYYEGCNVGPQR-RHSMWYFYSA-N 1 1 353.491 4.053 20 30 FIEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000434936875 1089153028 /nfs/dbraw/zinc/15/30/28/1089153028.db2.gz GRYNNCCBGVPCGM-UHFFFAOYSA-N 1 1 367.468 4.493 20 30 FIEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434985804 1089186501 /nfs/dbraw/zinc/18/65/01/1089186501.db2.gz CVIZQLNZURAZEG-UHFFFAOYSA-N 1 1 359.477 4.108 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000505601485 1089279266 /nfs/dbraw/zinc/27/92/66/1089279266.db2.gz GJMVPSRNYRZSKY-UHFFFAOYSA-N 1 1 361.489 4.215 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000505601485 1089279281 /nfs/dbraw/zinc/27/92/81/1089279281.db2.gz GJMVPSRNYRZSKY-UHFFFAOYSA-N 1 1 361.489 4.215 20 30 FIEDMO C=C(C)Cn1c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)C ZINC000549271778 1089505954 /nfs/dbraw/zinc/50/59/54/1089505954.db2.gz RSCKXJASCHKUDA-RBUKOAKNSA-N 1 1 373.589 4.243 20 30 FIEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000515121820 1089798139 /nfs/dbraw/zinc/79/81/39/1089798139.db2.gz PWEUTYPYPABANL-HXUWFJFHSA-N 1 1 361.445 4.165 20 30 FIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000515121820 1089798151 /nfs/dbraw/zinc/79/81/51/1089798151.db2.gz PWEUTYPYPABANL-HXUWFJFHSA-N 1 1 361.445 4.165 20 30 FIEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330157797 1089907065 /nfs/dbraw/zinc/90/70/65/1089907065.db2.gz PQQGXFZZVCQXPX-AVRDEDQJSA-N 1 1 368.477 4.088 20 30 FIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCC1 ZINC000188053541 1090152421 /nfs/dbraw/zinc/15/24/21/1090152421.db2.gz OZVRGWAAAMAHAW-UHFFFAOYSA-N 1 1 352.478 4.274 20 30 FIEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCC1 ZINC000188053541 1090152428 /nfs/dbraw/zinc/15/24/28/1090152428.db2.gz OZVRGWAAAMAHAW-UHFFFAOYSA-N 1 1 352.478 4.274 20 30 FIEDMO N#Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000312434754 1090699293 /nfs/dbraw/zinc/69/92/93/1090699293.db2.gz AXVWRPHCQYBXDR-LJQANCHMSA-N 1 1 356.473 4.431 20 30 FIEDMO COC1(C(F)(F)F)CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000418104626 1091065870 /nfs/dbraw/zinc/06/58/70/1091065870.db2.gz YBGLGRBQMQLUBA-UHFFFAOYSA-N 1 1 359.285 4.388 20 30 FIEDMO Cc1cccn2cc(COc3ccc(C[NH2+]CC4(C#N)CCC4)cc3)nc12 ZINC000418136130 1091075044 /nfs/dbraw/zinc/07/50/44/1091075044.db2.gz CBPXEGFJKIURTD-UHFFFAOYSA-N 1 1 360.461 4.005 20 30 FIEDMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000759787402 1091090994 /nfs/dbraw/zinc/09/09/94/1091090994.db2.gz HYWQQNDGZUGQBL-UHFFFAOYSA-N 1 1 365.477 4.085 20 30 FIEDMO C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000092689626 1091125579 /nfs/dbraw/zinc/12/55/79/1091125579.db2.gz QNMCAODPQDHOMG-OLZOCXBDSA-N 1 1 353.278 4.179 20 30 FIEDMO C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000092689626 1091125587 /nfs/dbraw/zinc/12/55/87/1091125587.db2.gz QNMCAODPQDHOMG-OLZOCXBDSA-N 1 1 353.278 4.179 20 30 FIEDMO Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)c(C#N)c(C)c1Br ZINC001167753186 1091176132 /nfs/dbraw/zinc/17/61/32/1091176132.db2.gz MAJNOZZMXGLXTF-LBPRGKRZSA-N 1 1 365.319 4.009 20 30 FIEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330246374 1091401208 /nfs/dbraw/zinc/40/12/08/1091401208.db2.gz LEKICOYTKSWLOX-HIFRSBDPSA-N 1 1 359.495 4.021 20 30 FIEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330246374 1091401219 /nfs/dbraw/zinc/40/12/19/1091401219.db2.gz LEKICOYTKSWLOX-HIFRSBDPSA-N 1 1 359.495 4.021 20 30 FIEDMO C[C@H](c1ccc(F)cc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000511686106 1091541039 /nfs/dbraw/zinc/54/10/39/1091541039.db2.gz VZKQSROSIVXYIO-MRXNPFEDSA-N 1 1 355.432 4.105 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511772578 1091657380 /nfs/dbraw/zinc/65/73/80/1091657380.db2.gz MQCAFKMFLCZWGP-MQSCRBSSSA-N 1 1 360.501 4.492 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000544141563 1091763486 /nfs/dbraw/zinc/76/34/86/1091763486.db2.gz FMNHRNWEUKCJHD-GOSISDBHSA-N 1 1 351.519 4.468 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000512319311 1092034924 /nfs/dbraw/zinc/03/49/24/1092034924.db2.gz YSVPCANHXDHTCT-IBGZPJMESA-N 1 1 367.880 4.030 20 30 FIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000432798683 1092399119 /nfs/dbraw/zinc/39/91/19/1092399119.db2.gz RDVRCGQXWIOXMR-UHFFFAOYSA-N 1 1 368.843 4.383 20 30 FIEDMO Cc1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)sc2ccc(Cl)cc12 ZINC000442091035 1092423849 /nfs/dbraw/zinc/42/38/49/1092423849.db2.gz VZAIFLKTGBNBTF-SFHVURJKSA-N 1 1 369.877 4.051 20 30 FIEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000438905290 1092518808 /nfs/dbraw/zinc/51/88/08/1092518808.db2.gz YOELJSWWFGLWQG-KRWDZBQOSA-N 1 1 361.489 4.029 20 30 FIEDMO C=CCOCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000645447649 1092623638 /nfs/dbraw/zinc/62/36/38/1092623638.db2.gz VNQAEMKIKSSHHE-MRXNPFEDSA-N 1 1 354.219 4.063 20 30 FIEDMO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538852 1092716642 /nfs/dbraw/zinc/71/66/42/1092716642.db2.gz UPNGWULLBCKDAQ-LBPRGKRZSA-N 1 1 363.248 4.448 20 30 FIEDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538852 1092716648 /nfs/dbraw/zinc/71/66/48/1092716648.db2.gz UPNGWULLBCKDAQ-LBPRGKRZSA-N 1 1 363.248 4.448 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521532764 1092742393 /nfs/dbraw/zinc/74/23/93/1092742393.db2.gz SNJPROAGRXGJDP-OAQYLSRUSA-N 1 1 366.480 4.253 20 30 FIEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549800353 1092787860 /nfs/dbraw/zinc/78/78/60/1092787860.db2.gz JYNGLBFNJAPZJD-GOSISDBHSA-N 1 1 374.271 4.102 20 30 FIEDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549800353 1092787869 /nfs/dbraw/zinc/78/78/69/1092787869.db2.gz JYNGLBFNJAPZJD-GOSISDBHSA-N 1 1 374.271 4.102 20 30 FIEDMO CO[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000443071330 1092927850 /nfs/dbraw/zinc/92/78/50/1092927850.db2.gz QADLQGQSWNATAM-DYESRHJHSA-N 1 1 350.462 4.137 20 30 FIEDMO CCOc1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521822294 1092939881 /nfs/dbraw/zinc/93/98/81/1092939881.db2.gz IVKUEWOWBXNEGA-UHFFFAOYSA-N 1 1 365.477 4.054 20 30 FIEDMO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512612334 1092991197 /nfs/dbraw/zinc/99/11/97/1092991197.db2.gz OLOPZXYTIPSOTA-LSDHHAIUSA-N 1 1 353.441 4.076 20 30 FIEDMO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1C ZINC000428741687 1093009064 /nfs/dbraw/zinc/00/90/64/1093009064.db2.gz FHMZBUFTWVUNOP-UHFFFAOYSA-N 1 1 367.518 4.186 20 30 FIEDMO COc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000512655332 1093083850 /nfs/dbraw/zinc/08/38/50/1093083850.db2.gz TUPAYHNBGNBGAG-AOMKIAJQSA-N 1 1 367.468 4.194 20 30 FIEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655814 1093089722 /nfs/dbraw/zinc/08/97/22/1093089722.db2.gz WRWOQUCAZGOWNL-ABSDTBQOSA-N 1 1 351.469 4.401 20 30 FIEDMO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659626 1093094983 /nfs/dbraw/zinc/09/49/83/1093094983.db2.gz ISXKQVLRUMWGFJ-WBVHZDCISA-N 1 1 357.498 4.322 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000512674566 1093122795 /nfs/dbraw/zinc/12/27/95/1093122795.db2.gz XRMHBDOBQXEPAC-GJZGRUSLSA-N 1 1 351.425 4.236 20 30 FIEDMO Cc1cccc2c1C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000433048606 1093152443 /nfs/dbraw/zinc/15/24/43/1093152443.db2.gz XOKYOCHXVVGSSF-UHFFFAOYSA-N 1 1 356.473 4.331 20 30 FIEDMO COc1ccc(C[N@H+]2CCc3cccc(C)c3C2)cc1OCCCC#N ZINC000433045393 1093154829 /nfs/dbraw/zinc/15/48/29/1093154829.db2.gz FFYIHVSYIVMZIE-UHFFFAOYSA-N 1 1 350.462 4.245 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433084196 1093226703 /nfs/dbraw/zinc/22/67/03/1093226703.db2.gz SJFZKCYNAYCHSD-GOSISDBHSA-N 1 1 365.502 4.120 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433084196 1093226707 /nfs/dbraw/zinc/22/67/07/1093226707.db2.gz SJFZKCYNAYCHSD-GOSISDBHSA-N 1 1 365.502 4.120 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439319909 1093329838 /nfs/dbraw/zinc/32/98/38/1093329838.db2.gz SEQRSTGMDKCJHZ-RDJZCZTQSA-N 1 1 367.880 4.418 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439319909 1093329847 /nfs/dbraw/zinc/32/98/47/1093329847.db2.gz SEQRSTGMDKCJHZ-RDJZCZTQSA-N 1 1 367.880 4.418 20 30 FIEDMO C=CC[NH+]1CCC(NCc2cc(Cl)c(OCCC)c(OCC)c2)CC1 ZINC000237018112 1093374752 /nfs/dbraw/zinc/37/47/52/1093374752.db2.gz BLBOWTIVHXLLMU-UHFFFAOYSA-N 1 1 366.933 4.268 20 30 FIEDMO CC(C)C1CCC([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000433184114 1093386861 /nfs/dbraw/zinc/38/68/61/1093386861.db2.gz XASSRJBNQSMJSH-UHFFFAOYSA-N 1 1 359.539 4.387 20 30 FIEDMO C=CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429911536 1093490335 /nfs/dbraw/zinc/49/03/35/1093490335.db2.gz XFHXEYDESBXYIS-UHFFFAOYSA-N 1 1 368.443 4.342 20 30 FIEDMO N#Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1Cl ZINC000474166755 1093538558 /nfs/dbraw/zinc/53/85/58/1093538558.db2.gz BVFLAYKUTKPOFH-NRFANRHFSA-N 1 1 366.896 4.099 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512916620 1093562692 /nfs/dbraw/zinc/56/26/92/1093562692.db2.gz DXMLTTZIACMWEO-QZTJIDSGSA-N 1 1 371.525 4.416 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001141814883 1093584366 /nfs/dbraw/zinc/58/43/66/1093584366.db2.gz UBPXTWRHYVKYGB-INIZCTEOSA-N 1 1 355.279 4.385 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001141814883 1093584368 /nfs/dbraw/zinc/58/43/68/1093584368.db2.gz UBPXTWRHYVKYGB-INIZCTEOSA-N 1 1 355.279 4.385 20 30 FIEDMO Cc1ccccc1-n1nccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000474265280 1093632101 /nfs/dbraw/zinc/63/21/01/1093632101.db2.gz GOKIZNUHYHQTOP-UHFFFAOYSA-N 1 1 372.472 4.096 20 30 FIEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141846964 1093746041 /nfs/dbraw/zinc/74/60/41/1093746041.db2.gz RNTBPPBTKKVWMJ-OAQYLSRUSA-N 1 1 372.440 4.182 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000086303094 1093902121 /nfs/dbraw/zinc/90/21/21/1093902121.db2.gz FQJRIBGNVRQMOY-ZDUSSCGKSA-N 1 1 363.396 4.074 20 30 FIEDMO CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513147279 1093903165 /nfs/dbraw/zinc/90/31/65/1093903165.db2.gz HOLGTWBHQSKZOM-AZUAARDMSA-N 1 1 370.541 4.183 20 30 FIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2n[nH]cc2c1 ZINC000513368277 1094082497 /nfs/dbraw/zinc/08/24/97/1094082497.db2.gz UXQZBOMIKVRZJN-NSHDSACASA-N 1 1 355.239 4.048 20 30 FIEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000513656206 1094256855 /nfs/dbraw/zinc/25/68/55/1094256855.db2.gz QPNDMDGSPGUKEG-QHCPKHFHSA-N 1 1 369.468 4.165 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280299953 1094323484 /nfs/dbraw/zinc/32/34/84/1094323484.db2.gz XTDYTDINTNPBBP-RTBURBONSA-N 1 1 367.537 4.214 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000501283753 1094588489 /nfs/dbraw/zinc/58/84/89/1094588489.db2.gz MGKDYCFUBZPYKK-MRXNPFEDSA-N 1 1 365.408 4.227 20 30 FIEDMO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329022088 1094713348 /nfs/dbraw/zinc/71/33/48/1094713348.db2.gz IGBXQWJBNZXFPN-ONGXEEELSA-N 1 1 369.252 4.151 20 30 FIEDMO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329022088 1094713366 /nfs/dbraw/zinc/71/33/66/1094713366.db2.gz IGBXQWJBNZXFPN-ONGXEEELSA-N 1 1 369.252 4.151 20 30 FIEDMO Cc1nc2cc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc2n1C1CC1 ZINC000329037686 1094719908 /nfs/dbraw/zinc/71/99/08/1094719908.db2.gz CPSLJUIXMBWZJP-KRWDZBQOSA-N 1 1 354.498 4.401 20 30 FIEDMO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329053936 1094724901 /nfs/dbraw/zinc/72/49/01/1094724901.db2.gz RZLBPXVLRZLUSM-GDBMZVCRSA-N 1 1 356.470 4.276 20 30 FIEDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329053936 1094724916 /nfs/dbraw/zinc/72/49/16/1094724916.db2.gz RZLBPXVLRZLUSM-GDBMZVCRSA-N 1 1 356.470 4.276 20 30 FIEDMO C#Cc1cncc(-c2noc([C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)c1 ZINC000896558696 1094739099 /nfs/dbraw/zinc/73/90/99/1094739099.db2.gz BBJIFLXNJVHYBE-KRWDZBQOSA-N 1 1 373.460 4.087 20 30 FIEDMO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000501522108 1094753674 /nfs/dbraw/zinc/75/36/74/1094753674.db2.gz PBJWEHYKJCTYBR-UHFFFAOYSA-N 1 1 361.898 4.170 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000501522108 1094753682 /nfs/dbraw/zinc/75/36/82/1094753682.db2.gz PBJWEHYKJCTYBR-UHFFFAOYSA-N 1 1 361.898 4.170 20 30 FIEDMO Cc1cc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)nc(C)n1 ZINC000329151496 1094758900 /nfs/dbraw/zinc/75/89/00/1094758900.db2.gz SKKHEZDGESMRGD-QGZVFWFLSA-N 1 1 367.497 4.057 20 30 FIEDMO COc1ccc(C2(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCCC2)cc1OC ZINC000329207443 1094779801 /nfs/dbraw/zinc/77/98/01/1094779801.db2.gz FERSOFMDZDGZTQ-MSOLQXFVSA-N 1 1 372.509 4.099 20 30 FIEDMO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCOCC1 ZINC000329255601 1094798782 /nfs/dbraw/zinc/79/87/82/1094798782.db2.gz APURFDYIGPOJJW-YJBOKZPZSA-N 1 1 359.514 4.265 20 30 FIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)nc2c1 ZINC000329290396 1094825022 /nfs/dbraw/zinc/82/50/22/1094825022.db2.gz NEGBXADGTDDLRS-INIZCTEOSA-N 1 1 354.498 4.340 20 30 FIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)NC4CCCCC4)C3)[nH]c2c1 ZINC000329290396 1094825030 /nfs/dbraw/zinc/82/50/30/1094825030.db2.gz NEGBXADGTDDLRS-INIZCTEOSA-N 1 1 354.498 4.340 20 30 FIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)[nH]c2c1 ZINC000329290396 1094825042 /nfs/dbraw/zinc/82/50/42/1094825042.db2.gz NEGBXADGTDDLRS-INIZCTEOSA-N 1 1 354.498 4.340 20 30 FIEDMO COc1cccc(CCC[N@@H+](C)Cc2cc(Br)ccc2C#N)c1 ZINC001141904868 1094870377 /nfs/dbraw/zinc/87/03/77/1094870377.db2.gz HLGPFBVTMXFFIY-UHFFFAOYSA-N 1 1 373.294 4.394 20 30 FIEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000329375651 1094870825 /nfs/dbraw/zinc/87/08/25/1094870825.db2.gz NYXCAJYPXAYWED-IEBWSBKVSA-N 1 1 372.557 4.182 20 30 FIEDMO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000329594400 1094989481 /nfs/dbraw/zinc/98/94/81/1094989481.db2.gz UZVIRNSNOIRKTF-SFHVURJKSA-N 1 1 368.525 4.443 20 30 FIEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000329630614 1095031877 /nfs/dbraw/zinc/03/18/77/1095031877.db2.gz HZUQGLKWVWMKKZ-OAHLLOKOSA-N 1 1 356.495 4.224 20 30 FIEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000329630614 1095031886 /nfs/dbraw/zinc/03/18/86/1095031886.db2.gz HZUQGLKWVWMKKZ-OAHLLOKOSA-N 1 1 356.495 4.224 20 30 FIEDMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329667110 1095081256 /nfs/dbraw/zinc/08/12/56/1095081256.db2.gz RKJLFBNRBCUJGT-WMZOPIPTSA-N 1 1 357.498 4.358 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cs2)cc1C#N ZINC000087833275 1095144508 /nfs/dbraw/zinc/14/45/08/1095144508.db2.gz KJVPVPBIRUQIMW-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO C[C@@H]1CCc2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)sc2C1 ZINC000513732451 1095146654 /nfs/dbraw/zinc/14/66/54/1095146654.db2.gz GBXIGFGNYIYKQD-OAHLLOKOSA-N 1 1 367.518 4.183 20 30 FIEDMO C=C1CC(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccncc3)n2)C1 ZINC000896873516 1095257093 /nfs/dbraw/zinc/25/70/93/1095257093.db2.gz CBAWFVJMBRHTCP-LEWJYISDSA-N 1 1 372.472 4.281 20 30 FIEDMO O=C(C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)NC1CCCCC1 ZINC000329775927 1095259546 /nfs/dbraw/zinc/25/95/46/1095259546.db2.gz JOCPTJUKEJYRPA-UHFFFAOYSA-N 1 1 359.445 4.436 20 30 FIEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCCCC(=O)N1 ZINC000329866269 1095298648 /nfs/dbraw/zinc/29/86/48/1095298648.db2.gz UUWVWDPOVSPIBU-MOPGFXCFSA-N 1 1 371.525 4.315 20 30 FIEDMO C[C@H](NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000329914905 1095314225 /nfs/dbraw/zinc/31/42/25/1095314225.db2.gz YCARPSAFXLJJGM-RYUDHWBXSA-N 1 1 367.280 4.017 20 30 FIEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329922735 1095315063 /nfs/dbraw/zinc/31/50/63/1095315063.db2.gz UBBNWUDPAIHJJT-SFHVURJKSA-N 1 1 372.900 4.156 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502317730 1095341500 /nfs/dbraw/zinc/34/15/00/1095341500.db2.gz GNOWCRPZEWLFOY-IBGZPJMESA-N 1 1 351.494 4.164 20 30 FIEDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000330031731 1095358520 /nfs/dbraw/zinc/35/85/20/1095358520.db2.gz UFWRFWHSWGJTIP-PKOBYXMFSA-N 1 1 370.472 4.213 20 30 FIEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)noc2-c2ccccc2)C[C@@H]1C ZINC000330146181 1095393921 /nfs/dbraw/zinc/39/39/21/1095393921.db2.gz LKKZSEQCWIOADJ-WMLDXEAASA-N 1 1 356.470 4.000 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502464566 1095494001 /nfs/dbraw/zinc/49/40/01/1095494001.db2.gz BEEIPISLLQHDKI-HNNXBMFYSA-N 1 1 353.853 4.227 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502464566 1095494015 /nfs/dbraw/zinc/49/40/15/1095494015.db2.gz BEEIPISLLQHDKI-HNNXBMFYSA-N 1 1 353.853 4.227 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000502465740 1095494227 /nfs/dbraw/zinc/49/42/27/1095494227.db2.gz QQOIHFBIQWHNGV-HNNXBMFYSA-N 1 1 373.294 4.464 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000502465740 1095494235 /nfs/dbraw/zinc/49/42/35/1095494235.db2.gz QQOIHFBIQWHNGV-HNNXBMFYSA-N 1 1 373.294 4.464 20 30 FIEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502501874 1095519717 /nfs/dbraw/zinc/51/97/17/1095519717.db2.gz VHAOAVFMFSKUQI-SFHVURJKSA-N 1 1 359.473 4.291 20 30 FIEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502501874 1095519730 /nfs/dbraw/zinc/51/97/30/1095519730.db2.gz VHAOAVFMFSKUQI-SFHVURJKSA-N 1 1 359.473 4.291 20 30 FIEDMO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 ZINC000330332138 1095528224 /nfs/dbraw/zinc/52/82/24/1095528224.db2.gz OQKMZFKJNWZDAB-CYBMUJFWSA-N 1 1 373.478 4.036 20 30 FIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000421335377 1095550207 /nfs/dbraw/zinc/55/02/07/1095550207.db2.gz SJTWDPJNMLDACB-QGZVFWFLSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000421335377 1095550218 /nfs/dbraw/zinc/55/02/18/1095550218.db2.gz SJTWDPJNMLDACB-QGZVFWFLSA-N 1 1 351.469 4.362 20 30 FIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000330352031 1095559178 /nfs/dbraw/zinc/55/91/78/1095559178.db2.gz MYZMMPVUXWIWIO-QGZVFWFLSA-N 1 1 372.513 4.291 20 30 FIEDMO Cc1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)ccc1C#N ZINC000443980966 1095572439 /nfs/dbraw/zinc/57/24/39/1095572439.db2.gz AEFMPWXPFQHFQU-UHFFFAOYSA-N 1 1 358.283 4.303 20 30 FIEDMO COc1cc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000016424286 1095655434 /nfs/dbraw/zinc/65/54/34/1095655434.db2.gz VQBAFLMOEXJOHE-UHFFFAOYSA-N 1 1 358.388 4.333 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000522833315 1095760695 /nfs/dbraw/zinc/76/06/95/1095760695.db2.gz WNSSHMOLKUZUKD-OAHLLOKOSA-N 1 1 357.860 4.230 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)c2ccc(C)cc2)c(C#N)c1C ZINC000444167000 1095791954 /nfs/dbraw/zinc/79/19/54/1095791954.db2.gz CVHSNHOTIITXBS-INIZCTEOSA-N 1 1 367.493 4.313 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444174939 1095812003 /nfs/dbraw/zinc/81/20/03/1095812003.db2.gz IFUWSWRCZWRVNH-FOIQADDNSA-N 1 1 351.425 4.109 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@H]32)sc2c1CCCC2 ZINC000444188211 1095832963 /nfs/dbraw/zinc/83/29/63/1095832963.db2.gz UKGXAYFAHGVNIZ-RHSMWYFYSA-N 1 1 357.523 4.092 20 30 FIEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502929551 1095958388 /nfs/dbraw/zinc/95/83/88/1095958388.db2.gz COGCCVGQKDDYAY-MRXNPFEDSA-N 1 1 353.441 4.327 20 30 FIEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502920749 1095966183 /nfs/dbraw/zinc/96/61/83/1095966183.db2.gz VPPTZDPXBUCWNO-MRXNPFEDSA-N 1 1 353.441 4.327 20 30 FIEDMO C=CCC[N@H+](C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000467303735 1096140812 /nfs/dbraw/zinc/14/08/12/1096140812.db2.gz DZLKIUBCRXIADX-SFHVURJKSA-N 1 1 371.868 4.119 20 30 FIEDMO COc1ccc(C[N@H+](Cc2ccc(F)c(C#N)c2)CC2CC2)c(OC)c1 ZINC000503255484 1096332676 /nfs/dbraw/zinc/33/26/76/1096332676.db2.gz IBMPWTVDXNWPFZ-UHFFFAOYSA-N 1 1 354.425 4.127 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(Cl)c1 ZINC000503390216 1096376852 /nfs/dbraw/zinc/37/68/52/1096376852.db2.gz JRCOSVRLNJOVPK-KRWDZBQOSA-N 1 1 354.885 4.124 20 30 FIEDMO C[C@@H](C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 ZINC000532941399 1098616887 /nfs/dbraw/zinc/61/68/87/1098616887.db2.gz HWGMBRVLMXECBM-SFHVURJKSA-N 1 1 359.473 4.473 20 30 FIEDMO C[C@@H]1SCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000532969197 1098637125 /nfs/dbraw/zinc/63/71/25/1098637125.db2.gz XBTODDHQKCOXLS-HRAATJIYSA-N 1 1 365.502 4.065 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000515509197 1098647109 /nfs/dbraw/zinc/64/71/09/1098647109.db2.gz RKIOQIYBOAXRNH-OAQYLSRUSA-N 1 1 353.510 4.205 20 30 FIEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC2(C1)CCCCC2 ZINC000532972427 1098657999 /nfs/dbraw/zinc/65/79/99/1098657999.db2.gz JNEQQZVMDAJXID-AWEZNQCLSA-N 1 1 357.523 4.092 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000532973213 1098659120 /nfs/dbraw/zinc/65/91/20/1098659120.db2.gz ZSHCRMSOIIZQGF-UHFFFAOYSA-N 1 1 351.450 4.315 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1C ZINC000515548020 1098689538 /nfs/dbraw/zinc/68/95/38/1098689538.db2.gz CUNGLFRFWYNVDB-DWLFOUALSA-N 1 1 367.537 4.451 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1C ZINC000515548019 1098690161 /nfs/dbraw/zinc/69/01/61/1098690161.db2.gz CUNGLFRFWYNVDB-CZTZKLFOSA-N 1 1 367.537 4.451 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1C ZINC000515548021 1098690219 /nfs/dbraw/zinc/69/02/19/1098690219.db2.gz CUNGLFRFWYNVDB-RCZSKKKRSA-N 1 1 367.537 4.451 20 30 FIEDMO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000436075272 1098719741 /nfs/dbraw/zinc/71/97/41/1098719741.db2.gz GCLFDGJKJJYJPW-UHFFFAOYSA-N 1 1 351.450 4.477 20 30 FIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000533250584 1098911831 /nfs/dbraw/zinc/91/18/31/1098911831.db2.gz YNTUKIWTIBYNKE-LLVKDONJSA-N 1 1 367.396 4.270 20 30 FIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000533250584 1098911836 /nfs/dbraw/zinc/91/18/36/1098911836.db2.gz YNTUKIWTIBYNKE-LLVKDONJSA-N 1 1 367.396 4.270 20 30 FIEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533087 1098979097 /nfs/dbraw/zinc/97/90/97/1098979097.db2.gz KFIXJXNMPRFGHB-LSDHHAIUSA-N 1 1 371.431 4.049 20 30 FIEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533087 1098979100 /nfs/dbraw/zinc/97/91/00/1098979100.db2.gz KFIXJXNMPRFGHB-LSDHHAIUSA-N 1 1 371.431 4.049 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000425534933 1098987476 /nfs/dbraw/zinc/98/74/76/1098987476.db2.gz MQYCOIKSZBWMCX-OAOOKAIFSA-N 1 1 364.489 4.006 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000425535148 1098993046 /nfs/dbraw/zinc/99/30/46/1098993046.db2.gz MVQXYZIZEORRCE-GOSISDBHSA-N 1 1 361.489 4.377 20 30 FIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369331 1099002134 /nfs/dbraw/zinc/00/21/34/1099002134.db2.gz NXFDPUMDFQFCAH-SFHVURJKSA-N 1 1 362.408 4.127 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(Br)c1 ZINC000505812708 1099008144 /nfs/dbraw/zinc/00/81/44/1099008144.db2.gz PGHJHVVYPSTFMP-INIZCTEOSA-N 1 1 371.278 4.222 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533448506 1099057534 /nfs/dbraw/zinc/05/75/34/1099057534.db2.gz MVBYGODZLHSAHE-KRWDZBQOSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000533448506 1099057545 /nfs/dbraw/zinc/05/75/45/1099057545.db2.gz MVBYGODZLHSAHE-KRWDZBQOSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000533448506 1099057558 /nfs/dbraw/zinc/05/75/58/1099057558.db2.gz MVBYGODZLHSAHE-KRWDZBQOSA-N 1 1 351.469 4.362 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000533472509 1099083875 /nfs/dbraw/zinc/08/38/75/1099083875.db2.gz MZXVYZOUYZJVTE-GOSISDBHSA-N 1 1 365.502 4.274 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3/C=C\c3ccccc3)o2)cc1 ZINC000505850895 1099140414 /nfs/dbraw/zinc/14/04/14/1099140414.db2.gz JNKFVZOFZYNWAB-KTZABMDBSA-N 1 1 356.429 4.286 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3/C=C\c3ccccc3)o2)cc1 ZINC000505850895 1099140418 /nfs/dbraw/zinc/14/04/18/1099140418.db2.gz JNKFVZOFZYNWAB-KTZABMDBSA-N 1 1 356.429 4.286 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000533591014 1099206373 /nfs/dbraw/zinc/20/63/73/1099206373.db2.gz QPVJAFRCVBTMQW-INIZCTEOSA-N 1 1 365.481 4.211 20 30 FIEDMO C=CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000505884887 1099339641 /nfs/dbraw/zinc/33/96/41/1099339641.db2.gz KWVRMJDTONDEPA-KDURUIRLSA-N 1 1 364.489 4.129 20 30 FIEDMO C=CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000505884887 1099339652 /nfs/dbraw/zinc/33/96/52/1099339652.db2.gz KWVRMJDTONDEPA-KDURUIRLSA-N 1 1 364.489 4.129 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000237839553 1099498205 /nfs/dbraw/zinc/49/82/05/1099498205.db2.gz VBEMTGBBDQJTQZ-UHFFFAOYSA-N 1 1 368.440 4.075 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2F)cc1 ZINC000505933662 1099534014 /nfs/dbraw/zinc/53/40/14/1099534014.db2.gz KYHHRNYUSHEYNT-HXUWFJFHSA-N 1 1 353.441 4.052 20 30 FIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)c1C ZINC000428576205 1099591670 /nfs/dbraw/zinc/59/16/70/1099591670.db2.gz BTXWNFOAHSUJJV-IBGZPJMESA-N 1 1 358.445 4.200 20 30 FIEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2ccc(Br)cn12 ZINC000506005172 1099743833 /nfs/dbraw/zinc/74/38/33/1099743833.db2.gz QKKPSKQUZZCSKL-UHFFFAOYSA-N 1 1 362.296 4.347 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2ccc(Br)cn12 ZINC000506005172 1099743844 /nfs/dbraw/zinc/74/38/44/1099743844.db2.gz QKKPSKQUZZCSKL-UHFFFAOYSA-N 1 1 362.296 4.347 20 30 FIEDMO C[N@@H+](CCCNC(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000455743203 1099990909 /nfs/dbraw/zinc/99/09/09/1099990909.db2.gz COIWRNJJUINEHI-UHFFFAOYSA-N 1 1 362.905 4.182 20 30 FIEDMO CCCn1cc[nH+]c1CCCN(C)c1c(C#N)cnc2c(C)cc(F)cc21 ZINC000428680270 1100014806 /nfs/dbraw/zinc/01/48/06/1100014806.db2.gz NOFFMIMBGDYWPS-UHFFFAOYSA-N 1 1 365.456 4.230 20 30 FIEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000517229442 1100207011 /nfs/dbraw/zinc/20/70/11/1100207011.db2.gz VINXRODSKSWIIK-KRWDZBQOSA-N 1 1 367.518 4.112 20 30 FIEDMO N#Cc1cnn2cc(C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cnc12 ZINC000517236710 1100209780 /nfs/dbraw/zinc/20/97/80/1100209780.db2.gz JMIPBADIVAPWQA-UHFFFAOYSA-N 1 1 372.259 4.072 20 30 FIEDMO N#Cc1cnn2cc(C[N@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cnc12 ZINC000517236710 1100209792 /nfs/dbraw/zinc/20/97/92/1100209792.db2.gz JMIPBADIVAPWQA-UHFFFAOYSA-N 1 1 372.259 4.072 20 30 FIEDMO Cc1cccc(OCC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000506152733 1100260075 /nfs/dbraw/zinc/26/00/75/1100260075.db2.gz ZPCSUXSDRLDBCV-UHFFFAOYSA-N 1 1 374.488 4.283 20 30 FIEDMO C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000383095304 1100936102 /nfs/dbraw/zinc/93/61/02/1100936102.db2.gz YRWQNORNWNLVMN-SFHVURJKSA-N 1 1 356.473 4.207 20 30 FIEDMO CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000426233401 1101024836 /nfs/dbraw/zinc/02/48/36/1101024836.db2.gz RRZQFGFUZGBVLS-UWJYYQICSA-N 1 1 362.477 4.248 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518406908 1101173330 /nfs/dbraw/zinc/17/33/30/1101173330.db2.gz NCDBCDVFCCPMRH-IEBWSBKVSA-N 1 1 369.534 4.281 20 30 FIEDMO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C(C)(C)C)cc1 ZINC000518432731 1101200869 /nfs/dbraw/zinc/20/08/69/1101200869.db2.gz BKDDJKFPXNHIDW-UHFFFAOYSA-N 1 1 369.465 4.016 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc(C#N)c2ccccc2n1 ZINC000383109749 1101238006 /nfs/dbraw/zinc/23/80/06/1101238006.db2.gz MXCCTHFQSQLYHH-SFHVURJKSA-N 1 1 356.473 4.207 20 30 FIEDMO COc1cc(Br)ccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000518576710 1101320196 /nfs/dbraw/zinc/32/01/96/1101320196.db2.gz BUXFIXFUIFDOCN-UHFFFAOYSA-N 1 1 357.251 4.108 20 30 FIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(Cl)c1OC ZINC000506552981 1101361904 /nfs/dbraw/zinc/36/19/04/1101361904.db2.gz REROWRDPEJUMNR-UHFFFAOYSA-N 1 1 356.853 4.393 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(Cl)c1OC ZINC000506552981 1101361914 /nfs/dbraw/zinc/36/19/14/1101361914.db2.gz REROWRDPEJUMNR-UHFFFAOYSA-N 1 1 356.853 4.393 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000173229918 1101362866 /nfs/dbraw/zinc/36/28/66/1101362866.db2.gz JRFPIWOLRHODNR-SFHVURJKSA-N 1 1 357.523 4.285 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000426367255 1101370623 /nfs/dbraw/zinc/37/06/23/1101370623.db2.gz SWCMSBAODHFNPR-HNNXBMFYSA-N 1 1 355.507 4.485 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000426367255 1101370640 /nfs/dbraw/zinc/37/06/40/1101370640.db2.gz SWCMSBAODHFNPR-HNNXBMFYSA-N 1 1 355.507 4.485 20 30 FIEDMO C/C(=C/c1ccccc1)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508630452 1101416407 /nfs/dbraw/zinc/41/64/07/1101416407.db2.gz FICBQMPVASYESR-VKAVYKQESA-N 1 1 374.444 4.032 20 30 FIEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc(OC)c1OC ZINC000439429942 1101432954 /nfs/dbraw/zinc/43/29/54/1101432954.db2.gz HFXGEEFUDUNLMM-GFCCVEGCSA-N 1 1 360.841 4.088 20 30 FIEDMO Clc1ccc(C#CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000426395651 1101473620 /nfs/dbraw/zinc/47/36/20/1101473620.db2.gz KKAIBMYOOKNNCD-XBXARRHUSA-N 1 1 350.893 4.023 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000518755941 1101508991 /nfs/dbraw/zinc/50/89/91/1101508991.db2.gz SHLRKPVZMZPXPL-IXDOHACOSA-N 1 1 374.554 4.465 20 30 FIEDMO CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426459759 1101662160 /nfs/dbraw/zinc/66/21/60/1101662160.db2.gz LISRSTWDIDDHCV-NRFANRHFSA-N 1 1 352.909 4.145 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001168156948 1101664733 /nfs/dbraw/zinc/66/47/33/1101664733.db2.gz VESWKOMERDXUTF-UHFFFAOYSA-N 1 1 354.425 4.139 20 30 FIEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000610281759 1101714682 /nfs/dbraw/zinc/71/46/82/1101714682.db2.gz IMOFZYIRZUDCJO-KRWDZBQOSA-N 1 1 359.395 4.288 20 30 FIEDMO C=CCc1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000506709133 1101875808 /nfs/dbraw/zinc/87/58/08/1101875808.db2.gz YDUGICHIGLNAQF-SFHVURJKSA-N 1 1 373.518 4.372 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000612121414 1102029791 /nfs/dbraw/zinc/02/97/91/1102029791.db2.gz YGALTLZQEGKBEZ-FQEVSTJZSA-N 1 1 363.509 4.298 20 30 FIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000612121414 1102029809 /nfs/dbraw/zinc/02/98/09/1102029809.db2.gz YGALTLZQEGKBEZ-FQEVSTJZSA-N 1 1 363.509 4.298 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000612121414 1102029820 /nfs/dbraw/zinc/02/98/20/1102029820.db2.gz YGALTLZQEGKBEZ-FQEVSTJZSA-N 1 1 363.509 4.298 20 30 FIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000026463229 1102047044 /nfs/dbraw/zinc/04/70/44/1102047044.db2.gz QNOXDYZEEDLQKE-SFHVURJKSA-N 1 1 374.271 4.468 20 30 FIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000026463229 1102047058 /nfs/dbraw/zinc/04/70/58/1102047058.db2.gz QNOXDYZEEDLQKE-SFHVURJKSA-N 1 1 374.271 4.468 20 30 FIEDMO C[C@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000783784549 1102274166 /nfs/dbraw/zinc/27/41/66/1102274166.db2.gz FZWYSZVDXFRION-OXJNMPFZSA-N 1 1 366.436 4.214 20 30 FIEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000120899195 1102295293 /nfs/dbraw/zinc/29/52/93/1102295293.db2.gz BRXLFQSOONEVIG-IRXDYDNUSA-N 1 1 359.539 4.389 20 30 FIEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000120899195 1102295305 /nfs/dbraw/zinc/29/53/05/1102295305.db2.gz BRXLFQSOONEVIG-IRXDYDNUSA-N 1 1 359.539 4.389 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000467402644 1102367545 /nfs/dbraw/zinc/36/75/45/1102367545.db2.gz FHPKBAYIZJWJJV-RTBURBONSA-N 1 1 358.844 4.441 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000532558882 1102480402 /nfs/dbraw/zinc/48/04/02/1102480402.db2.gz NEFFYFULPNYYAI-CRAIPNDOSA-N 1 1 357.523 4.284 20 30 FIEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000532569071 1102491223 /nfs/dbraw/zinc/49/12/23/1102491223.db2.gz SPHCVWHMWQGSEA-TZMCWYRMSA-N 1 1 373.884 4.484 20 30 FIEDMO N#CCCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278853 1102516868 /nfs/dbraw/zinc/51/68/68/1102516868.db2.gz JPSSFGXHQLMVMW-UHFFFAOYSA-N 1 1 352.413 4.132 20 30 FIEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)c1C ZINC000303834264 1102580675 /nfs/dbraw/zinc/58/06/75/1102580675.db2.gz AINHYPCMBJMSOW-JOCHJYFZSA-N 1 1 361.489 4.387 20 30 FIEDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000184250794 1102663158 /nfs/dbraw/zinc/66/31/58/1102663158.db2.gz CRQDOCHOFRADEJ-CYBMUJFWSA-N 1 1 357.385 4.197 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000184250794 1102663161 /nfs/dbraw/zinc/66/31/61/1102663161.db2.gz CRQDOCHOFRADEJ-CYBMUJFWSA-N 1 1 357.385 4.197 20 30 FIEDMO N#CCCn1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(-c2ccccc2)n1 ZINC000129048785 1102775657 /nfs/dbraw/zinc/77/56/57/1102775657.db2.gz GDYWISBARSHUAY-UHFFFAOYSA-N 1 1 374.492 4.065 20 30 FIEDMO N#Cc1ccncc1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000537686594 1102852477 /nfs/dbraw/zinc/85/24/77/1102852477.db2.gz KCSXHHQESPVADO-HXUWFJFHSA-N 1 1 360.486 4.226 20 30 FIEDMO N#Cc1ccncc1NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000537686594 1102852486 /nfs/dbraw/zinc/85/24/86/1102852486.db2.gz KCSXHHQESPVADO-HXUWFJFHSA-N 1 1 360.486 4.226 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000426779497 1102982082 /nfs/dbraw/zinc/98/20/82/1102982082.db2.gz INENTQHQNDOSBO-PEBVRCNWSA-N 1 1 356.297 4.087 20 30 FIEDMO C=C(Br)C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000729682755 1103049975 /nfs/dbraw/zinc/04/99/75/1103049975.db2.gz HKBNPZQTZLSCHP-UHFFFAOYSA-N 1 1 362.267 4.272 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC001211975768 1103134009 /nfs/dbraw/zinc/13/40/09/1103134009.db2.gz PLAQUWGPDMPEHX-YOEHRIQHSA-N 1 1 365.424 4.093 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ncccc2C2CC2)no1 ZINC001211975868 1103135897 /nfs/dbraw/zinc/13/58/97/1103135897.db2.gz RPCHFLGEYIQPCH-WMZOPIPTSA-N 1 1 370.497 4.087 20 30 FIEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000507161839 1103159752 /nfs/dbraw/zinc/15/97/52/1103159752.db2.gz BBQJCHVXQSMDKB-WOJBJXKFSA-N 1 1 361.489 4.120 20 30 FIEDMO COC(=O)c1sc2ccccc2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000532751868 1103167309 /nfs/dbraw/zinc/16/73/09/1103167309.db2.gz VJPGMJLXIDQCNH-UHFFFAOYSA-N 1 1 350.443 4.192 20 30 FIEDMO COC(=O)c1sc2ccccc2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000532751868 1103167318 /nfs/dbraw/zinc/16/73/18/1103167318.db2.gz VJPGMJLXIDQCNH-UHFFFAOYSA-N 1 1 350.443 4.192 20 30 FIEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccccc1 ZINC000532757018 1103186016 /nfs/dbraw/zinc/18/60/16/1103186016.db2.gz NABQTPSLOIBQHT-KRWDZBQOSA-N 1 1 367.518 4.399 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccccc1 ZINC000532757018 1103186021 /nfs/dbraw/zinc/18/60/21/1103186021.db2.gz NABQTPSLOIBQHT-KRWDZBQOSA-N 1 1 367.518 4.399 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000477167329 1103190377 /nfs/dbraw/zinc/19/03/77/1103190377.db2.gz VXJANONJGWXPBH-SFHVURJKSA-N 1 1 367.880 4.076 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1cccc2ccccc21 ZINC000507304702 1103293215 /nfs/dbraw/zinc/29/32/15/1103293215.db2.gz LUATWHTYFRULQZ-UHFFFAOYSA-N 1 1 357.457 4.215 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551709901 1103546044 /nfs/dbraw/zinc/54/60/44/1103546044.db2.gz KOOKWJDFGRIGGY-AWEZNQCLSA-N 1 1 374.472 4.316 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455900683 1103615739 /nfs/dbraw/zinc/61/57/39/1103615739.db2.gz CVKLZWLOKUSMIZ-GOSISDBHSA-N 1 1 368.525 4.261 20 30 FIEDMO C[C@@H](c1cccs1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000519904307 1103947957 /nfs/dbraw/zinc/94/79/57/1103947957.db2.gz DIMLXZVGBABRCD-HRAATJIYSA-N 1 1 367.518 4.120 20 30 FIEDMO C[C@@H](c1cccs1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000519904307 1103947959 /nfs/dbraw/zinc/94/79/59/1103947959.db2.gz DIMLXZVGBABRCD-HRAATJIYSA-N 1 1 367.518 4.120 20 30 FIEDMO CC[N@@H+](CCc1cccs1)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000520172657 1104139157 /nfs/dbraw/zinc/13/91/57/1104139157.db2.gz SQTZFRHKTJJUIC-UHFFFAOYSA-N 1 1 369.534 4.176 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000520173215 1104143067 /nfs/dbraw/zinc/14/30/67/1104143067.db2.gz WAHGZCUUUIXYGQ-VXKWHMMOSA-N 1 1 367.537 4.197 20 30 FIEDMO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438484539 1104177324 /nfs/dbraw/zinc/17/73/24/1104177324.db2.gz IUQDMXGUDLGTNN-HNNXBMFYSA-N 1 1 363.280 4.338 20 30 FIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438484539 1104177326 /nfs/dbraw/zinc/17/73/26/1104177326.db2.gz IUQDMXGUDLGTNN-HNNXBMFYSA-N 1 1 363.280 4.338 20 30 FIEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441379845 1104320900 /nfs/dbraw/zinc/32/09/00/1104320900.db2.gz GDLCXOJOZFTMBJ-HXUWFJFHSA-N 1 1 358.445 4.124 20 30 FIEDMO O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCCCC1 ZINC000328657128 1104525486 /nfs/dbraw/zinc/52/54/86/1104525486.db2.gz OKNXNZOSVHZILF-KRWDZBQOSA-N 1 1 358.530 4.078 20 30 FIEDMO O=C(CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCCCC1 ZINC000328657129 1104526227 /nfs/dbraw/zinc/52/62/27/1104526227.db2.gz OKNXNZOSVHZILF-QGZVFWFLSA-N 1 1 358.530 4.078 20 30 FIEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328659757 1104526857 /nfs/dbraw/zinc/52/68/57/1104526857.db2.gz UCPWIRAQAITXAX-MJGOQNOKSA-N 1 1 372.557 4.324 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000328754103 1104549533 /nfs/dbraw/zinc/54/95/33/1104549533.db2.gz DPEHCTXSJLEQKE-VFNWGFHPSA-N 1 1 358.482 4.130 20 30 FIEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330546352 1104641732 /nfs/dbraw/zinc/64/17/32/1104641732.db2.gz CGNAWXOAZAJIGT-ZDUSSCGKSA-N 1 1 374.451 4.082 20 30 FIEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000330770125 1104671377 /nfs/dbraw/zinc/67/13/77/1104671377.db2.gz AXWNLMVTTUNYPW-STQMWFEESA-N 1 1 368.308 4.185 20 30 FIEDMO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000520613663 1105046574 /nfs/dbraw/zinc/04/65/74/1105046574.db2.gz STAUZVWWCVHOOX-HNNXBMFYSA-N 1 1 370.294 4.462 20 30 FIEDMO CC#CCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190786618 1105155342 /nfs/dbraw/zinc/15/53/42/1105155342.db2.gz BNKOTSNWNBSREZ-HNNXBMFYSA-N 1 1 360.255 4.049 20 30 FIEDMO CC(C)(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000507824705 1105225476 /nfs/dbraw/zinc/22/54/76/1105225476.db2.gz QCWJMORARDFGJO-UHFFFAOYSA-N 1 1 363.505 4.482 20 30 FIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000451139787 1106935907 /nfs/dbraw/zinc/93/59/07/1106935907.db2.gz AXOFFUOKDZDWBO-LOWVWBTDSA-N 1 1 373.806 4.201 20 30 FIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000451139787 1106935908 /nfs/dbraw/zinc/93/59/08/1106935908.db2.gz AXOFFUOKDZDWBO-LOWVWBTDSA-N 1 1 373.806 4.201 20 30 FIEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152926 1107580635 /nfs/dbraw/zinc/58/06/35/1107580635.db2.gz RVLHPKRHPCJUBO-YADHBBJMSA-N 1 1 363.505 4.100 20 30 FIEDMO C[NH+](C)[C@@H]1CCC[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152924 1107582096 /nfs/dbraw/zinc/58/20/96/1107582096.db2.gz RVLHPKRHPCJUBO-FGZHOGPDSA-N 1 1 363.505 4.100 20 30 FIEDMO CC[C@]1(CO)CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193126199 1107972804 /nfs/dbraw/zinc/97/28/04/1107972804.db2.gz RXMJTDIHMMDYEA-QHCPKHFHSA-N 1 1 362.517 4.371 20 30 FIEDMO N#CC(CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000444667056 1108070637 /nfs/dbraw/zinc/07/06/37/1108070637.db2.gz XYTFEHLBSOVXBR-RTWAWAEBSA-N 1 1 360.501 4.245 20 30 FIEDMO FC(F)(F)C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000444703070 1108104690 /nfs/dbraw/zinc/10/46/90/1108104690.db2.gz KJKIRXRJAYQECS-ZDUSSCGKSA-N 1 1 351.290 4.211 20 30 FIEDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444703913 1108105919 /nfs/dbraw/zinc/10/59/19/1108105919.db2.gz KKTSXPHLFZCPFF-JOCHJYFZSA-N 1 1 356.510 4.347 20 30 FIEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000088536709 1108268305 /nfs/dbraw/zinc/26/83/05/1108268305.db2.gz XQPACYRPWWNWHD-QFIPXVFZSA-N 1 1 359.404 4.015 20 30 FIEDMO COc1cc(CNCc2ccccc2C[NH+]2CCC(C)CC2)ccc1C#N ZINC000440632946 1108368981 /nfs/dbraw/zinc/36/89/81/1108368981.db2.gz DEIIGVDBEVEVNW-UHFFFAOYSA-N 1 1 363.505 4.089 20 30 FIEDMO CCC[N@H+]1CC[C@@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440643916 1108383566 /nfs/dbraw/zinc/38/35/66/1108383566.db2.gz HELBPYYNOLUSKG-ZDUSSCGKSA-N 1 1 373.298 4.013 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000523755307 1108501732 /nfs/dbraw/zinc/50/17/32/1108501732.db2.gz LCODGXIUHWWPAC-XJKSGUPXSA-N 1 1 360.383 4.219 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000523788614 1108518624 /nfs/dbraw/zinc/51/86/24/1108518624.db2.gz DXHJGEKCFOLFBT-VLCRHTCISA-N 1 1 351.490 4.033 20 30 FIEDMO C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000523948244 1108696442 /nfs/dbraw/zinc/69/64/42/1108696442.db2.gz PJDMBGSXEVUNQC-VQIMIIECSA-N 1 1 369.534 4.111 20 30 FIEDMO C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000523948244 1108696455 /nfs/dbraw/zinc/69/64/55/1108696455.db2.gz PJDMBGSXEVUNQC-VQIMIIECSA-N 1 1 369.534 4.111 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000524120505 1108842666 /nfs/dbraw/zinc/84/26/66/1108842666.db2.gz LEKREIBMGBIHAL-SFHVURJKSA-N 1 1 355.526 4.049 20 30 FIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(F)(F)F ZINC000508540553 1108982390 /nfs/dbraw/zinc/98/23/90/1108982390.db2.gz FOZZTYXPUHYHSF-UHFFFAOYSA-N 1 1 366.358 4.365 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000524566361 1109069949 /nfs/dbraw/zinc/06/99/49/1109069949.db2.gz SMUSOQXKCZNOAR-BRWVUGGUSA-N 1 1 374.554 4.323 20 30 FIEDMO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccccc12 ZINC000524579886 1109085289 /nfs/dbraw/zinc/08/52/89/1109085289.db2.gz CXWNHNQJFKBKLP-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000524811172 1109162074 /nfs/dbraw/zinc/16/20/74/1109162074.db2.gz AFPQKRBMIPJTPO-UHFFFAOYSA-N 1 1 355.485 4.419 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)cc1 ZINC000525269924 1109325690 /nfs/dbraw/zinc/32/56/90/1109325690.db2.gz STVPEDROMFVLLS-UHFFFAOYSA-N 1 1 352.825 4.284 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)cc1 ZINC000525269924 1109325696 /nfs/dbraw/zinc/32/56/96/1109325696.db2.gz STVPEDROMFVLLS-UHFFFAOYSA-N 1 1 352.825 4.284 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109628 1109339952 /nfs/dbraw/zinc/33/99/52/1109339952.db2.gz GVIXYJQEESMQNL-HNAYVOBHSA-N 1 1 365.477 4.221 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109628 1109339957 /nfs/dbraw/zinc/33/99/57/1109339957.db2.gz GVIXYJQEESMQNL-HNAYVOBHSA-N 1 1 365.477 4.221 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000525421950 1109383902 /nfs/dbraw/zinc/38/39/02/1109383902.db2.gz BLUDEJZKLOANHT-KRWDZBQOSA-N 1 1 356.853 4.089 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccc(C#N)cc1 ZINC000441191372 1109424240 /nfs/dbraw/zinc/42/42/40/1109424240.db2.gz VUYSOMXJMQBZDT-UHFFFAOYSA-N 1 1 355.507 4.396 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)Cc1ccc(C#N)cc1 ZINC000441191372 1109424243 /nfs/dbraw/zinc/42/42/43/1109424243.db2.gz VUYSOMXJMQBZDT-UHFFFAOYSA-N 1 1 355.507 4.396 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000525634956 1109463333 /nfs/dbraw/zinc/46/33/33/1109463333.db2.gz BDLCPNSMAMGTED-FUHWJXTLSA-N 1 1 374.550 4.175 20 30 FIEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1C ZINC000525636703 1109463956 /nfs/dbraw/zinc/46/39/56/1109463956.db2.gz JESHRLQDQFWBPQ-HXUWFJFHSA-N 1 1 353.510 4.125 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000447323079 1109513862 /nfs/dbraw/zinc/51/38/62/1109513862.db2.gz INLFKOKDNFBCQT-BWACUDIHSA-N 1 1 356.297 4.087 20 30 FIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447398102 1109534247 /nfs/dbraw/zinc/53/42/47/1109534247.db2.gz RQZGKIZEBYHWQU-SJORKVTESA-N 1 1 372.534 4.325 20 30 FIEDMO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000527489648 1109768217 /nfs/dbraw/zinc/76/82/17/1109768217.db2.gz GHUZOCOQQHFVLG-IHLLOCCUSA-N 1 1 373.500 4.038 20 30 FIEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000448377963 1109781084 /nfs/dbraw/zinc/78/10/84/1109781084.db2.gz YNQKUCYRWRQAHK-GCJKJVERSA-N 1 1 364.489 4.263 20 30 FIEDMO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449045553 1109966734 /nfs/dbraw/zinc/96/67/34/1109966734.db2.gz HFBOVXGWMVZMBZ-UHFFFAOYSA-N 1 1 357.498 4.195 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cc(C4CC4)ccc3F)CC2)cc1 ZINC000449374156 1110046728 /nfs/dbraw/zinc/04/67/28/1110046728.db2.gz XMJVMMWGJAOOFB-UHFFFAOYSA-N 1 1 363.480 4.329 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1 ZINC000449468905 1110081380 /nfs/dbraw/zinc/08/13/80/1110081380.db2.gz FYLVSXWAGUNNQM-UHFFFAOYSA-N 1 1 352.482 4.103 20 30 FIEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000449492855 1110087731 /nfs/dbraw/zinc/08/77/31/1110087731.db2.gz KEFQNGTZFBUCBP-JPYJTQIMSA-N 1 1 364.489 4.384 20 30 FIEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000528911231 1110147702 /nfs/dbraw/zinc/14/77/02/1110147702.db2.gz YEVSUBXQRRQDHU-CEXWTWQISA-N 1 1 367.518 4.176 20 30 FIEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441388761 1110209286 /nfs/dbraw/zinc/20/92/86/1110209286.db2.gz VAQVONSOMDWZJL-HXUWFJFHSA-N 1 1 358.445 4.124 20 30 FIEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016334054 1110240619 /nfs/dbraw/zinc/24/06/19/1110240619.db2.gz IWOJNACWCCEVHN-HNNXBMFYSA-N 1 1 359.539 4.482 20 30 FIEDMO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000282027115 1110276615 /nfs/dbraw/zinc/27/66/15/1110276615.db2.gz NYMRCJGRHFCGKO-UHFFFAOYSA-N 1 1 370.478 4.141 20 30 FIEDMO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000450545126 1110312559 /nfs/dbraw/zinc/31/25/59/1110312559.db2.gz VEVKITPJODZSQM-UHFFFAOYSA-N 1 1 355.309 4.286 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000538752107 1111282399 /nfs/dbraw/zinc/28/23/99/1111282399.db2.gz IVZSPFYVBBZIDJ-GJZGRUSLSA-N 1 1 352.869 4.483 20 30 FIEDMO CCSc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000539303183 1111512659 /nfs/dbraw/zinc/51/26/59/1111512659.db2.gz KEZOGEBWPCASMR-AWEZNQCLSA-N 1 1 354.475 4.308 20 30 FIEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000041635108 1111774209 /nfs/dbraw/zinc/77/42/09/1111774209.db2.gz KBYOVUIZVNMQSS-UHFFFAOYSA-N 1 1 364.670 4.404 20 30 FIEDMO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000478614429 1111830206 /nfs/dbraw/zinc/83/02/06/1111830206.db2.gz AYJMXZCKWGJWFF-IBGZPJMESA-N 1 1 370.537 4.368 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC(C)(C)CCC#N)cc2)C1 ZINC000478802651 1111887886 /nfs/dbraw/zinc/88/78/86/1111887886.db2.gz UCSCZUBKBPZBOT-GOSISDBHSA-N 1 1 370.541 4.048 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC(C)(C)CCC#N)cc1 ZINC000478901538 1111913248 /nfs/dbraw/zinc/91/32/48/1111913248.db2.gz MXFJGCBUWIYODT-GOSISDBHSA-N 1 1 370.541 4.190 20 30 FIEDMO C=C(C)[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000478913829 1111916184 /nfs/dbraw/zinc/91/61/84/1111916184.db2.gz UNQVXDNTBLQRHX-OXQOHEQNSA-N 1 1 362.464 4.353 20 30 FIEDMO C=C(C)[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000478913830 1111916205 /nfs/dbraw/zinc/91/62/05/1111916205.db2.gz UNQVXDNTBLQRHX-UZLBHIALSA-N 1 1 362.464 4.353 20 30 FIEDMO C=CCCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000479577244 1112078368 /nfs/dbraw/zinc/07/83/68/1112078368.db2.gz OKBIWEUTPKLMKC-UHFFFAOYSA-N 1 1 354.416 4.142 20 30 FIEDMO C=CCN(CC=C)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667611967 1112258461 /nfs/dbraw/zinc/25/84/61/1112258461.db2.gz IHESLCCECQJYIH-UHFFFAOYSA-N 1 1 356.495 4.096 20 30 FIEDMO CCc1ccc([C@@H]2C[N@@H+](CCCCC#N)CCN2CCCCC#N)cc1 ZINC000554848534 1112527319 /nfs/dbraw/zinc/52/73/19/1112527319.db2.gz MXBWWJFNAVIQLZ-QFIPXVFZSA-N 1 1 352.526 4.295 20 30 FIEDMO CCc1ccc([C@@H]2CN(CCCCC#N)CC[N@@H+]2CCCCC#N)cc1 ZINC000554848534 1112527322 /nfs/dbraw/zinc/52/73/22/1112527322.db2.gz MXBWWJFNAVIQLZ-QFIPXVFZSA-N 1 1 352.526 4.295 20 30 FIEDMO CCc1ccc([C@@H]2CN(CCCCC#N)CC[N@H+]2CCCCC#N)cc1 ZINC000554848534 1112527330 /nfs/dbraw/zinc/52/73/30/1112527330.db2.gz MXBWWJFNAVIQLZ-QFIPXVFZSA-N 1 1 352.526 4.295 20 30 FIEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000555146975 1112693823 /nfs/dbraw/zinc/69/38/23/1112693823.db2.gz HZMFQRBZLDWKMH-DENIHFKCSA-N 1 1 361.489 4.059 20 30 FIEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000555541868 1112917668 /nfs/dbraw/zinc/91/76/68/1112917668.db2.gz CCJYBBRAYHTRQB-DYVFJYSZSA-N 1 1 364.262 4.463 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000555541869 1112917845 /nfs/dbraw/zinc/91/78/45/1112917845.db2.gz CCJYBBRAYHTRQB-GUYCJALGSA-N 1 1 364.262 4.463 20 30 FIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1OCc1ccncc1)C2 ZINC000600213121 1112925554 /nfs/dbraw/zinc/92/55/54/1112925554.db2.gz BJEIBGNFAWQPPK-UHFFFAOYSA-N 1 1 369.468 4.285 20 30 FIEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(-c2ccnn2C)c1 ZINC000600213564 1112926261 /nfs/dbraw/zinc/92/62/61/1112926261.db2.gz WODLAWGACNCGOJ-UHFFFAOYSA-N 1 1 356.473 4.020 20 30 FIEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000555710156 1112971783 /nfs/dbraw/zinc/97/17/83/1112971783.db2.gz WPRJMEWSKUBBJR-UHFFFAOYSA-N 1 1 356.853 4.321 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)c(F)c1 ZINC000481600171 1112993309 /nfs/dbraw/zinc/99/33/09/1112993309.db2.gz YHCCPVUXQLJXDG-IEBWSBKVSA-N 1 1 360.379 4.116 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1nc(CC)c(C)s1)c1ccc(F)c(F)c1 ZINC000481613173 1112996000 /nfs/dbraw/zinc/99/60/00/1112996000.db2.gz OCKMLSCBJJLGNQ-QGZVFWFLSA-N 1 1 365.449 4.138 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000481616880 1112997458 /nfs/dbraw/zinc/99/74/58/1112997458.db2.gz XHSJNWMZBFSVSJ-SFHVURJKSA-N 1 1 373.428 4.420 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O)c1ccc(F)c(F)c1 ZINC000481626896 1113003814 /nfs/dbraw/zinc/00/38/14/1113003814.db2.gz YSCOVLRDYKLMDU-RBZFPXEDSA-N 1 1 372.415 4.401 20 30 FIEDMO C=CC[NH+]1CCC(Nc2ccnc3cc(OC(F)(F)F)ccc32)CC1 ZINC000899874347 1113036410 /nfs/dbraw/zinc/03/64/10/1113036410.db2.gz AAFPEHXXIVKFMU-UHFFFAOYSA-N 1 1 351.372 4.196 20 30 FIEDMO C=C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000159949241 1113275571 /nfs/dbraw/zinc/27/55/71/1113275571.db2.gz KVFMFEZGFUBTQP-SFHVURJKSA-N 1 1 363.436 4.296 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668146385 1113387280 /nfs/dbraw/zinc/38/72/80/1113387280.db2.gz GDLVVSZPBMJPRA-QFIPXVFZSA-N 1 1 369.509 4.210 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668146385 1113387287 /nfs/dbraw/zinc/38/72/87/1113387287.db2.gz GDLVVSZPBMJPRA-QFIPXVFZSA-N 1 1 369.509 4.210 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483121246 1113443361 /nfs/dbraw/zinc/44/33/61/1113443361.db2.gz AHTZWWRMVDKUPH-HNNXBMFYSA-N 1 1 367.880 4.418 20 30 FIEDMO CC[N@@H+](Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210161 1113466238 /nfs/dbraw/zinc/46/62/38/1113466238.db2.gz LJULLARGFSUMLG-LJQANCHMSA-N 1 1 370.456 4.104 20 30 FIEDMO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210161 1113466240 /nfs/dbraw/zinc/46/62/40/1113466240.db2.gz LJULLARGFSUMLG-LJQANCHMSA-N 1 1 370.456 4.104 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2cnc3ccccc3n2)cc1)C1CC1 ZINC000483210161 1113466241 /nfs/dbraw/zinc/46/62/41/1113466241.db2.gz LJULLARGFSUMLG-LJQANCHMSA-N 1 1 370.456 4.104 20 30 FIEDMO C=CCSc1ccccc1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000486236150 1113532544 /nfs/dbraw/zinc/53/25/44/1113532544.db2.gz ZGNIOXVHMVCGFW-UHFFFAOYSA-N 1 1 367.518 4.067 20 30 FIEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000486469798 1113574487 /nfs/dbraw/zinc/57/44/87/1113574487.db2.gz NVOWNYHSTOSFLL-UHFFFAOYSA-N 1 1 361.420 4.303 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000486469798 1113574489 /nfs/dbraw/zinc/57/44/89/1113574489.db2.gz NVOWNYHSTOSFLL-UHFFFAOYSA-N 1 1 361.420 4.303 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000613252331 1113617929 /nfs/dbraw/zinc/61/79/29/1113617929.db2.gz VZPQNNWZJKRFNJ-BRWVUGGUSA-N 1 1 372.488 4.133 20 30 FIEDMO CCCC[N@@H+](C)CC1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000486929252 1113679021 /nfs/dbraw/zinc/67/90/21/1113679021.db2.gz 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/nfs/dbraw/zinc/56/45/18/1115564518.db2.gz LTQZOKBZQXTIOR-UHFFFAOYSA-N 1 1 371.278 4.498 20 30 FIEDMO Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596101511 1115572338 /nfs/dbraw/zinc/57/23/38/1115572338.db2.gz MACBFRXSQWRGGO-OAHLLOKOSA-N 1 1 370.478 4.161 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)C)cc(=O)c1O ZINC000596203331 1115576901 /nfs/dbraw/zinc/57/69/01/1115576901.db2.gz OBEINABXISJBDR-UHFFFAOYSA-N 1 1 350.462 4.160 20 30 FIEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000596736917 1115611505 /nfs/dbraw/zinc/61/15/05/1115611505.db2.gz XOSBKOKIDIOXCZ-HNNXBMFYSA-N 1 1 362.543 4.323 20 30 FIEDMO C[NH+](C)C1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000596809422 1115614779 /nfs/dbraw/zinc/61/47/79/1115614779.db2.gz VNLWRKFOFAINSL-QGZVFWFLSA-N 1 1 353.853 4.028 20 30 FIEDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000596827574 1115620733 /nfs/dbraw/zinc/62/07/33/1115620733.db2.gz OXHFYFHZFHWHSZ-QZTJIDSGSA-N 1 1 369.509 4.098 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000596981429 1115631414 /nfs/dbraw/zinc/63/14/14/1115631414.db2.gz OSDDTNYFKMJIRK-UHFFFAOYSA-N 1 1 372.472 4.301 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000596981429 1115631416 /nfs/dbraw/zinc/63/14/16/1115631416.db2.gz OSDDTNYFKMJIRK-UHFFFAOYSA-N 1 1 372.472 4.301 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597027900 1115635101 /nfs/dbraw/zinc/63/51/01/1115635101.db2.gz SWXZBXGYFKZDNI-DNVJHFABSA-N 1 1 362.473 4.126 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597027900 1115635104 /nfs/dbraw/zinc/63/51/04/1115635104.db2.gz SWXZBXGYFKZDNI-DNVJHFABSA-N 1 1 362.473 4.126 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)CC1 ZINC000597131070 1115642945 /nfs/dbraw/zinc/64/29/45/1115642945.db2.gz VNOTVZRMLSYHHU-DNVJHFABSA-N 1 1 358.485 4.246 20 30 FIEDMO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC(CC#N)C1 ZINC000597203265 1115649293 /nfs/dbraw/zinc/64/92/93/1115649293.db2.gz IWYHLJZQYKEZCA-UHFFFAOYSA-N 1 1 373.298 4.104 20 30 FIEDMO CC[C@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000761219424 1115658100 /nfs/dbraw/zinc/65/81/00/1115658100.db2.gz PTIDBIYYLCTWQG-UGKGYDQZSA-N 1 1 363.505 4.074 20 30 FIEDMO CC[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCN1Cc1ccccc1 ZINC000761219424 1115658102 /nfs/dbraw/zinc/65/81/02/1115658102.db2.gz PTIDBIYYLCTWQG-UGKGYDQZSA-N 1 1 363.505 4.074 20 30 FIEDMO CC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCN1Cc1ccccc1 ZINC000761219424 1115658103 /nfs/dbraw/zinc/65/81/03/1115658103.db2.gz PTIDBIYYLCTWQG-UGKGYDQZSA-N 1 1 363.505 4.074 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2(C#N)CCCCC2)cc1 ZINC000597357721 1115660721 /nfs/dbraw/zinc/66/07/21/1115660721.db2.gz CSGDUZCZYDFWEO-MRXNPFEDSA-N 1 1 350.466 4.222 20 30 FIEDMO COc1cc(OC)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000593578328 1115740938 /nfs/dbraw/zinc/74/09/38/1115740938.db2.gz HHDJSXQDAQNQOP-UHFFFAOYSA-N 1 1 352.409 4.004 20 30 FIEDMO COc1cc(OC)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000593578328 1115740943 /nfs/dbraw/zinc/74/09/43/1115740943.db2.gz HHDJSXQDAQNQOP-UHFFFAOYSA-N 1 1 352.409 4.004 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000598609210 1115741051 /nfs/dbraw/zinc/74/10/51/1115741051.db2.gz RZGJWZJDMXVGLS-CVEARBPZSA-N 1 1 372.456 4.096 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000598609210 1115741055 /nfs/dbraw/zinc/74/10/55/1115741055.db2.gz RZGJWZJDMXVGLS-CVEARBPZSA-N 1 1 372.456 4.096 20 30 FIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000593685964 1115793597 /nfs/dbraw/zinc/79/35/97/1115793597.db2.gz BZEMNPCGPXDJFD-UYAOXDASSA-N 1 1 366.436 4.357 20 30 FIEDMO CC[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCCC1 ZINC000603682106 1115805934 /nfs/dbraw/zinc/80/59/34/1115805934.db2.gz MUBDOKVWLDVHCJ-JOCHJYFZSA-N 1 1 363.505 4.101 20 30 FIEDMO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)cc1Cl ZINC000603895337 1115825162 /nfs/dbraw/zinc/82/51/62/1115825162.db2.gz KDOGPYZZNNFZOK-UHFFFAOYSA-N 1 1 357.841 4.188 20 30 FIEDMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1Cl ZINC000603895337 1115825166 /nfs/dbraw/zinc/82/51/66/1115825166.db2.gz KDOGPYZZNNFZOK-UHFFFAOYSA-N 1 1 357.841 4.188 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890249 1115826631 /nfs/dbraw/zinc/82/66/31/1115826631.db2.gz VZVBYDKBULWQEE-QFBILLFUSA-N 1 1 372.472 4.246 20 30 FIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599620093 1115830719 /nfs/dbraw/zinc/83/07/19/1115830719.db2.gz UMSFPASMUSYYTM-OAHLLOKOSA-N 1 1 369.465 4.016 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599670941 1115834989 /nfs/dbraw/zinc/83/49/89/1115834989.db2.gz MDVHIDJJXYTZRU-FTRWYGJKSA-N 1 1 357.523 4.141 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599670941 1115834993 /nfs/dbraw/zinc/83/49/93/1115834993.db2.gz MDVHIDJJXYTZRU-FTRWYGJKSA-N 1 1 357.523 4.141 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676240 1115835357 /nfs/dbraw/zinc/83/53/57/1115835357.db2.gz CLMGEQYZCNZWAT-QGZVFWFLSA-N 1 1 365.260 4.087 20 30 FIEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000604083949 1115847234 /nfs/dbraw/zinc/84/72/34/1115847234.db2.gz PHNPUYKPXNCUKR-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000604083949 1115847237 /nfs/dbraw/zinc/84/72/37/1115847237.db2.gz PHNPUYKPXNCUKR-UHFFFAOYSA-N 1 1 352.331 4.270 20 30 FIEDMO CCCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000604493651 1115868036 /nfs/dbraw/zinc/86/80/36/1115868036.db2.gz VFEOVQUYQZZJMC-MJGOQNOKSA-N 1 1 356.466 4.063 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000605902496 1115920621 /nfs/dbraw/zinc/92/06/21/1115920621.db2.gz LGKCRVZLMBRJFY-PMACEKPBSA-N 1 1 355.478 4.365 20 30 FIEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000606920842 1115983648 /nfs/dbraw/zinc/98/36/48/1115983648.db2.gz MDGPRGZJBFBHIK-GOSISDBHSA-N 1 1 363.571 4.348 20 30 FIEDMO N#CCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000608856532 1116134292 /nfs/dbraw/zinc/13/42/92/1116134292.db2.gz QCLMXCFTBORSSL-NRFANRHFSA-N 1 1 353.897 4.351 20 30 FIEDMO N#CCCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000608856532 1116134294 /nfs/dbraw/zinc/13/42/94/1116134294.db2.gz QCLMXCFTBORSSL-NRFANRHFSA-N 1 1 353.897 4.351 20 30 FIEDMO CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000534065552 1116155003 /nfs/dbraw/zinc/15/50/03/1116155003.db2.gz XQJFMUOZKICJRP-AVRDEDQJSA-N 1 1 361.489 4.050 20 30 FIEDMO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000534527603 1116210733 /nfs/dbraw/zinc/21/07/33/1116210733.db2.gz NKVPQTQZJAZLJV-UHFFFAOYSA-N 1 1 368.893 4.144 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508842443 1116262198 /nfs/dbraw/zinc/26/21/98/1116262198.db2.gz XVMFDMWQPAPHOF-MRXNPFEDSA-N 1 1 373.932 4.124 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901719 1116329238 /nfs/dbraw/zinc/32/92/38/1116329238.db2.gz OUROYDCJHBTCJW-LIRRHRJNSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901719 1116329240 /nfs/dbraw/zinc/32/92/40/1116329240.db2.gz OUROYDCJHBTCJW-LIRRHRJNSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1cccc(C#N)c1 ZINC000462260740 1116335656 /nfs/dbraw/zinc/33/56/56/1116335656.db2.gz ULYUMFZVWIRRQQ-MOPGFXCFSA-N 1 1 367.537 4.165 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463046320 1117938857 /nfs/dbraw/zinc/93/88/57/1117938857.db2.gz ZDZSCPBBUAAIJS-HSZRJFAPSA-N 1 1 351.490 4.069 20 30 FIEDMO CCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000540426734 1118051624 /nfs/dbraw/zinc/05/16/24/1118051624.db2.gz GSTCZLRONURZHH-FQEVSTJZSA-N 1 1 371.431 4.342 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000540475580 1118078253 /nfs/dbraw/zinc/07/82/53/1118078253.db2.gz QDNMNJFRSSSGFO-GOSISDBHSA-N 1 1 374.481 4.020 20 30 FIEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000540504655 1118096729 /nfs/dbraw/zinc/09/67/29/1118096729.db2.gz ZHCMPXXOTSFYID-UHFFFAOYSA-N 1 1 354.457 4.248 20 30 FIEDMO Cc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)[NH+]2CCCC2)cc1 ZINC000540708069 1118196734 /nfs/dbraw/zinc/19/67/34/1118196734.db2.gz QQFIUTLFQMFXFR-VGOFRKELSA-N 1 1 351.469 4.494 20 30 FIEDMO CC(C)(C)[C@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000464172779 1118469912 /nfs/dbraw/zinc/46/99/12/1118469912.db2.gz YMGABGCQUVBUNJ-QHCPKHFHSA-N 1 1 363.505 4.133 20 30 FIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701243 1118616202 /nfs/dbraw/zinc/61/62/02/1118616202.db2.gz HDTANWKOJJLDLW-SIKLNZKXSA-N 1 1 363.436 4.302 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464725108 1118672169 /nfs/dbraw/zinc/67/21/69/1118672169.db2.gz LZCSWBCHESBYPF-HNAYVOBHSA-N 1 1 354.425 4.168 20 30 FIEDMO Cc1cccc([C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1C ZINC000464769583 1118681024 /nfs/dbraw/zinc/68/10/24/1118681024.db2.gz CQYWFMSJMHICOI-HXUWFJFHSA-N 1 1 353.510 4.173 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464761930 1118684456 /nfs/dbraw/zinc/68/44/56/1118684456.db2.gz HOXXAYCUGDYVIC-GOSISDBHSA-N 1 1 368.502 4.060 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464764285 1118686225 /nfs/dbraw/zinc/68/62/25/1118686225.db2.gz GKHBJZBYDOZGIG-HNNXBMFYSA-N 1 1 371.531 4.063 20 30 FIEDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464766728 1118686904 /nfs/dbraw/zinc/68/69/04/1118686904.db2.gz DNTWTRDVGDLGPY-GAJHUEQPSA-N 1 1 361.489 4.155 20 30 FIEDMO Cc1ccc(CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]2CCCO2)cc1 ZINC000464768452 1118688439 /nfs/dbraw/zinc/68/84/39/1118688439.db2.gz APBBNUHZVVWHLA-QFIPXVFZSA-N 1 1 352.453 4.230 20 30 FIEDMO CCOc1ccccc1OCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820883 1118705540 /nfs/dbraw/zinc/70/55/40/1118705540.db2.gz GUZIHRFYZFQBIN-UXHICEINSA-N 1 1 350.462 4.236 20 30 FIEDMO CCOc1ccccc1OCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820883 1118705544 /nfs/dbraw/zinc/70/55/44/1118705544.db2.gz GUZIHRFYZFQBIN-UXHICEINSA-N 1 1 350.462 4.236 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000464824594 1118711853 /nfs/dbraw/zinc/71/18/53/1118711853.db2.gz VRWCXPRPPHEQIG-PMACEKPBSA-N 1 1 369.415 4.065 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000464824594 1118711856 /nfs/dbraw/zinc/71/18/56/1118711856.db2.gz VRWCXPRPPHEQIG-PMACEKPBSA-N 1 1 369.415 4.065 20 30 FIEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443637649 1118722544 /nfs/dbraw/zinc/72/25/44/1118722544.db2.gz BSTKYUSCTDWQSW-INIZCTEOSA-N 1 1 365.408 4.097 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1Cl ZINC000609144437 1118772242 /nfs/dbraw/zinc/77/22/42/1118772242.db2.gz CGFPXHHSNDOTQE-IBGZPJMESA-N 1 1 369.852 4.083 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000542252892 1118862555 /nfs/dbraw/zinc/86/25/55/1118862555.db2.gz KPRONMKYOLXOAS-HZPDHXFCSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000542252892 1118862558 /nfs/dbraw/zinc/86/25/58/1118862558.db2.gz KPRONMKYOLXOAS-HZPDHXFCSA-N 1 1 359.539 4.387 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491356099 1118939518 /nfs/dbraw/zinc/93/95/18/1118939518.db2.gz JUSPLVIFQCDMCK-UHFFFAOYSA-N 1 1 357.479 4.493 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491356099 1118939519 /nfs/dbraw/zinc/93/95/19/1118939519.db2.gz JUSPLVIFQCDMCK-UHFFFAOYSA-N 1 1 357.479 4.493 20 30 FIEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(F)c3Cl)CC2)c1 ZINC000549919396 1118976320 /nfs/dbraw/zinc/97/63/20/1118976320.db2.gz HZRBFVVPNPUEEG-UHFFFAOYSA-N 1 1 371.843 4.201 20 30 FIEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173231206 1119025936 /nfs/dbraw/zinc/02/59/36/1119025936.db2.gz GECPWVWGSGBWKC-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000173231206 1119025940 /nfs/dbraw/zinc/02/59/40/1119025940.db2.gz GECPWVWGSGBWKC-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000174816121 1119153762 /nfs/dbraw/zinc/15/37/62/1119153762.db2.gz ALGNZDSKGNFSOC-UHFFFAOYSA-N 1 1 368.308 4.081 20 30 FIEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000174831563 1119154998 /nfs/dbraw/zinc/15/49/98/1119154998.db2.gz AYUABZWBMGRASV-UHFFFAOYSA-N 1 1 368.308 4.081 20 30 FIEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1C(C)(C)C#N ZINC000178508660 1119394529 /nfs/dbraw/zinc/39/45/29/1119394529.db2.gz VVULZKAQSVZMGG-UHFFFAOYSA-N 1 1 371.431 4.227 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1C(C)(C)C#N ZINC000178508660 1119394532 /nfs/dbraw/zinc/39/45/32/1119394532.db2.gz VVULZKAQSVZMGG-UHFFFAOYSA-N 1 1 371.431 4.227 20 30 FIEDMO CCC[N@@H+](CCCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152614250 1119470805 /nfs/dbraw/zinc/47/08/05/1119470805.db2.gz PUMYRCWATYEAFI-UHFFFAOYSA-N 1 1 351.535 4.428 20 30 FIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1 ZINC000152723911 1119491663 /nfs/dbraw/zinc/49/16/63/1119491663.db2.gz AASSKXJTILRYHH-INIZCTEOSA-N 1 1 368.868 4.249 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182894586 1119562475 /nfs/dbraw/zinc/56/24/75/1119562475.db2.gz WZADGGZYXVIAQA-DLBZAZTESA-N 1 1 357.498 4.026 20 30 FIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185634419 1119677647 /nfs/dbraw/zinc/67/76/47/1119677647.db2.gz YJAWRTWPQTYWIO-HNNXBMFYSA-N 1 1 357.292 4.372 20 30 FIEDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000185796271 1119687379 /nfs/dbraw/zinc/68/73/79/1119687379.db2.gz RPUSJYXZTXEFTE-GOSISDBHSA-N 1 1 365.502 4.078 20 30 FIEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000185796271 1119687380 /nfs/dbraw/zinc/68/73/80/1119687380.db2.gz RPUSJYXZTXEFTE-GOSISDBHSA-N 1 1 365.502 4.078 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186691662 1119744372 /nfs/dbraw/zinc/74/43/72/1119744372.db2.gz BSJZWTCGIVMLQA-FQEVSTJZSA-N 1 1 357.375 4.188 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186691662 1119744378 /nfs/dbraw/zinc/74/43/78/1119744378.db2.gz BSJZWTCGIVMLQA-FQEVSTJZSA-N 1 1 357.375 4.188 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000613373254 1119800128 /nfs/dbraw/zinc/80/01/28/1119800128.db2.gz CYWQUULLUSTYOE-QAPCUYQASA-N 1 1 361.432 4.126 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000613373254 1119800130 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FIEDMO C#CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000917117720 1122156525 /nfs/dbraw/zinc/15/65/25/1122156525.db2.gz PFYBCDRXHJZQJE-HSZRJFAPSA-N 1 1 358.441 4.473 20 30 FIEDMO C#CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000917117720 1122156529 /nfs/dbraw/zinc/15/65/29/1122156529.db2.gz PFYBCDRXHJZQJE-HSZRJFAPSA-N 1 1 358.441 4.473 20 30 FIEDMO C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(C)C ZINC000917167880 1122214154 /nfs/dbraw/zinc/21/41/54/1122214154.db2.gz GFKHJLKZBKQMMC-OAQYLSRUSA-N 1 1 354.519 4.119 20 30 FIEDMO C[C@@H](c1ccc(F)c(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000497587147 1122298880 /nfs/dbraw/zinc/29/88/80/1122298880.db2.gz JCQJETHMESRXSK-INIZCTEOSA-N 1 1 355.432 4.105 20 30 FIEDMO CCc1ccc([C@H](C)NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000497609080 1122306001 /nfs/dbraw/zinc/30/60/01/1122306001.db2.gz DKTUPHAPLZMBRE-ZWKOTPCHSA-N 1 1 363.505 4.381 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 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356.539 4.413 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000917464745 1122327282 /nfs/dbraw/zinc/32/72/82/1122327282.db2.gz GORVRNVLGWSVPV-UHFFFAOYSA-N 1 1 356.539 4.413 20 30 FIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1-c1cccnc1 ZINC000917620731 1122381190 /nfs/dbraw/zinc/38/11/90/1122381190.db2.gz WLLMNSVLMGBCET-SFHVURJKSA-N 1 1 369.538 4.274 20 30 FIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCCC2)nc1-c1cccnc1 ZINC000917620731 1122381195 /nfs/dbraw/zinc/38/11/95/1122381195.db2.gz WLLMNSVLMGBCET-SFHVURJKSA-N 1 1 369.538 4.274 20 30 FIEDMO C=C(C)COc1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)ccc1OC ZINC000128995178 1122488838 /nfs/dbraw/zinc/48/88/38/1122488838.db2.gz HURLPANTZOEMBT-UHFFFAOYSA-N 1 1 355.482 4.252 20 30 FIEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CC[C@@H]1c1ccccc1 ZINC000129732975 1122691267 /nfs/dbraw/zinc/69/12/67/1122691267.db2.gz WREIWJCGLWIJBZ-YJBOKZPZSA-N 1 1 353.491 4.074 20 30 FIEDMO CON=Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000918593881 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GICQRWRFPYOCJB-LIRRHRJNSA-N 1 1 362.408 4.330 20 30 FIEDMO C=CCN(Cc1ccccc1F)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000615674226 1124067046 /nfs/dbraw/zinc/06/70/46/1124067046.db2.gz VFWCOPYXYSQUCM-UHFFFAOYSA-N 1 1 361.505 4.178 20 30 FIEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245602170 1124134660 /nfs/dbraw/zinc/13/46/60/1124134660.db2.gz PIBOESIGJHNSKH-HUUCEWRRSA-N 1 1 365.568 4.093 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301291012 1124211403 /nfs/dbraw/zinc/21/14/03/1124211403.db2.gz UJNLWSKAABEFRO-HNAYVOBHSA-N 1 1 374.410 4.467 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301293157 1124211417 /nfs/dbraw/zinc/21/14/17/1124211417.db2.gz OHWLGYYKLBOQRG-CABCVRRESA-N 1 1 366.431 4.063 20 30 FIEDMO C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301560094 1124241571 /nfs/dbraw/zinc/24/15/71/1124241571.db2.gz ULFBULDFRDBADZ-WMLDXEAASA-N 1 1 374.410 4.437 20 30 FIEDMO N#Cc1c(Cl)nsc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301729208 1124254950 /nfs/dbraw/zinc/25/49/50/1124254950.db2.gz WRGLFGYRSKHDEX-DOTOQJQBSA-N 1 1 372.925 4.159 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301993265 1124276040 /nfs/dbraw/zinc/27/60/40/1124276040.db2.gz ZLADLQBUECQZGR-UHFFFAOYSA-N 1 1 370.500 4.455 20 30 FIEDMO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1F ZINC000180256420 1124279224 /nfs/dbraw/zinc/27/92/24/1124279224.db2.gz ACDDLLLBXWSTKF-MRXNPFEDSA-N 1 1 365.861 4.338 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000302105711 1124283964 /nfs/dbraw/zinc/28/39/64/1124283964.db2.gz NMNJDHHQLNZKMW-OXQOHEQNSA-N 1 1 353.491 4.317 20 30 FIEDMO N#Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000302231538 1124297220 /nfs/dbraw/zinc/29/72/20/1124297220.db2.gz YTSZLLAFCUNXIF-YQQQUEKLSA-N 1 1 362.433 4.074 20 30 FIEDMO C[N@H+]1CC[C@H](CNc2c(C#N)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302890147 1124364379 /nfs/dbraw/zinc/36/43/79/1124364379.db2.gz PHFKZRPYEBIEBP-OXQOHEQNSA-N 1 1 368.843 4.327 20 30 FIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1F ZINC000554748766 1124415582 /nfs/dbraw/zinc/41/55/82/1124415582.db2.gz FYXMASZDYWEUBQ-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccc(C#N)cc1 ZINC000230306954 1124481104 /nfs/dbraw/zinc/48/11/04/1124481104.db2.gz YOOIPYVFYCCURV-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554879432 1124581836 /nfs/dbraw/zinc/58/18/36/1124581836.db2.gz RZOGHQZBLAAWQQ-QHCPKHFHSA-N 1 1 364.489 4.264 20 30 FIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248421437 1124766232 /nfs/dbraw/zinc/76/62/32/1124766232.db2.gz MHKCTXQHUYXROA-HZPDHXFCSA-N 1 1 365.880 4.059 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248421437 1124766237 /nfs/dbraw/zinc/76/62/37/1124766237.db2.gz MHKCTXQHUYXROA-HZPDHXFCSA-N 1 1 365.880 4.059 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001212325018 1124771724 /nfs/dbraw/zinc/77/17/24/1124771724.db2.gz FNZAQQIDICPDFR-INIZCTEOSA-N 1 1 370.250 4.456 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267392 1124889093 /nfs/dbraw/zinc/88/90/93/1124889093.db2.gz TVDRSMRSBOETOS-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267392 1124889100 /nfs/dbraw/zinc/88/91/00/1124889100.db2.gz TVDRSMRSBOETOS-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111323464 1124890205 /nfs/dbraw/zinc/89/02/05/1124890205.db2.gz DUISPPNFAPTQBZ-UHFFFAOYSA-N 1 1 357.523 4.287 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000111323464 1124890215 /nfs/dbraw/zinc/89/02/15/1124890215.db2.gz DUISPPNFAPTQBZ-UHFFFAOYSA-N 1 1 357.523 4.287 20 30 FIEDMO C=C(C)[C@@H](CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)OCC ZINC000617866444 1124904433 /nfs/dbraw/zinc/90/44/33/1124904433.db2.gz MKUIDIYRKCDUTK-QGZVFWFLSA-N 1 1 373.522 4.200 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181441588 1124924812 /nfs/dbraw/zinc/92/48/12/1124924812.db2.gz ZVEOIGCBEPPNTK-QRVBRYPASA-N 1 1 363.505 4.018 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519795 1124992508 /nfs/dbraw/zinc/99/25/08/1124992508.db2.gz BPISMXKLTFXSOW-SJORKVTESA-N 1 1 352.400 4.019 20 30 FIEDMO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181518249 1124993891 /nfs/dbraw/zinc/99/38/91/1124993891.db2.gz KXVGJJFHVWTUBQ-SFHVURJKSA-N 1 1 351.494 4.130 20 30 FIEDMO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000181518267 1124994034 /nfs/dbraw/zinc/99/40/34/1124994034.db2.gz KXVGJJFHVWTUBQ-GOSISDBHSA-N 1 1 351.494 4.130 20 30 FIEDMO Cc1cccc2c1ncc(C#N)c2N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000618586764 1125210240 /nfs/dbraw/zinc/21/02/40/1125210240.db2.gz GVJPVQIZXFGJRJ-UHFFFAOYSA-N 1 1 358.445 4.166 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000603498225 568112421 /nfs/dbraw/zinc/11/24/21/568112421.db2.gz DQOMQRXQIHGGTM-HXUWFJFHSA-N 1 1 367.880 4.424 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000603498225 568112422 /nfs/dbraw/zinc/11/24/22/568112422.db2.gz DQOMQRXQIHGGTM-HXUWFJFHSA-N 1 1 367.880 4.424 20 30 FIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OCC ZINC000569106999 568277780 /nfs/dbraw/zinc/27/77/80/568277780.db2.gz SELUXYSRFQLLHC-AWEZNQCLSA-N 1 1 369.421 4.115 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569810854 568426676 /nfs/dbraw/zinc/42/66/76/568426676.db2.gz GSFUSQCZZBBHGJ-GOSISDBHSA-N 1 1 353.857 4.083 20 30 FIEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569810854 568426677 /nfs/dbraw/zinc/42/66/77/568426677.db2.gz GSFUSQCZZBBHGJ-GOSISDBHSA-N 1 1 353.857 4.083 20 30 FIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000570606498 568490765 /nfs/dbraw/zinc/49/07/65/568490765.db2.gz SMRFEPNOSKNFSY-MRXNPFEDSA-N 1 1 355.511 4.165 20 30 FIEDMO N#CCCN(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)C1CCCC1 ZINC001165018523 721835467 /nfs/dbraw/zinc/83/54/67/721835467.db2.gz TURWDWDELNILED-UHFFFAOYSA-N 1 1 360.505 4.303 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1Cl ZINC000619456063 1125595278 /nfs/dbraw/zinc/59/52/78/1125595278.db2.gz OKGVDFKLHLALEJ-UHFFFAOYSA-N 1 1 366.852 4.132 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000619656653 1125649002 /nfs/dbraw/zinc/64/90/02/1125649002.db2.gz QFOVQGPOEPMSJH-FQEVSTJZSA-N 1 1 373.500 4.413 20 30 FIEDMO C[NH+](C)C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619823381 1125710345 /nfs/dbraw/zinc/71/03/45/1125710345.db2.gz YWXBMJHHGWDRIY-RTWAWAEBSA-N 1 1 353.897 4.482 20 30 FIEDMO C[N@@H+](CCCCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167056679 1079762394 /nfs/dbraw/zinc/76/23/94/1079762394.db2.gz YHVHYFNQNDWRCO-JOCHJYFZSA-N 1 1 361.489 4.008 20 30 FIEDMO CC[C@H](CC1CCCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510117950 1080089400 /nfs/dbraw/zinc/08/94/00/1080089400.db2.gz KQYTYJSREHULDG-JOCHJYFZSA-N 1 1 367.537 4.199 20 30 FIEDMO CC[C@H](CC1CCCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510117950 1080089409 /nfs/dbraw/zinc/08/94/09/1080089409.db2.gz KQYTYJSREHULDG-JOCHJYFZSA-N 1 1 367.537 4.199 20 30 FIEDMO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208860275 1080191775 /nfs/dbraw/zinc/19/17/75/1080191775.db2.gz JDMATKVGYCDMJO-PXNSSMCTSA-N 1 1 371.525 4.116 20 30 FIEDMO C=CCCCCCCCC[N@H+]1CCO[C@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001209443984 1080705145 /nfs/dbraw/zinc/70/51/45/1080705145.db2.gz IZDAKORWWMZYNY-JOCHJYFZSA-N 1 1 364.574 4.253 20 30 FIEDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001167157703 1080763372 /nfs/dbraw/zinc/76/33/72/1080763372.db2.gz OSGAEIFCQZLFKD-GOSISDBHSA-N 1 1 364.493 4.169 20 30 FIEDMO CC[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)CCc1ccccc1F ZINC001167244456 1080901688 /nfs/dbraw/zinc/90/16/88/1080901688.db2.gz QYLDIBSSYRIUQD-QGZVFWFLSA-N 1 1 370.468 4.428 20 30 FIEDMO CC[C@@H](C)[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167244287 1080901819 /nfs/dbraw/zinc/90/18/19/1080901819.db2.gz LQQLDVNDCQYIHR-OAHLLOKOSA-N 1 1 355.413 4.449 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(F)c1 ZINC000142893625 1080909469 /nfs/dbraw/zinc/90/94/69/1080909469.db2.gz JPMIKDRCGIEIGV-UHFFFAOYSA-N 1 1 352.409 4.371 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175747470 1080985639 /nfs/dbraw/zinc/98/56/39/1080985639.db2.gz YDLJRALFBSEPKT-LPHOPBHVSA-N 1 1 368.506 4.133 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000530734727 1081005097 /nfs/dbraw/zinc/00/50/97/1081005097.db2.gz PHGFTPIDZNSWPP-ZIAGYGMSSA-N 1 1 364.461 4.280 20 30 FIEDMO C=CC[C@@H]1N(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1(C)C ZINC000683457741 1081030027 /nfs/dbraw/zinc/03/00/27/1081030027.db2.gz JPCUMCSXBOXSCN-IBGZPJMESA-N 1 1 355.526 4.200 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989653 1081129106 /nfs/dbraw/zinc/12/91/06/1081129106.db2.gz GCGSULGGHMEFTE-HNAYVOBHSA-N 1 1 371.481 4.359 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989653 1081129109 /nfs/dbraw/zinc/12/91/09/1081129109.db2.gz GCGSULGGHMEFTE-HNAYVOBHSA-N 1 1 371.481 4.359 20 30 FIEDMO C=CC[C@H]1N(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CCCC1(C)C ZINC000683577510 1081146270 /nfs/dbraw/zinc/14/62/70/1081146270.db2.gz KNYBHQICWVNPKX-LJQANCHMSA-N 1 1 370.541 4.267 20 30 FIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000561002820 1081611278 /nfs/dbraw/zinc/61/12/78/1081611278.db2.gz DZXLEJQCQRXDIB-CQSZACIVSA-N 1 1 353.853 4.160 20 30 FIEDMO COC(=O)CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC001167372527 1081788966 /nfs/dbraw/zinc/78/89/66/1081788966.db2.gz OEBDBQHSPGRLGS-UHFFFAOYSA-N 1 1 364.489 4.160 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 ZINC000083536580 1081918695 /nfs/dbraw/zinc/91/86/95/1081918695.db2.gz FEWVXFXVECBYHC-KPKJPENVSA-N 1 1 354.413 4.263 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000083536511 1081920604 /nfs/dbraw/zinc/92/06/04/1081920604.db2.gz DICIAOJTGOGJQO-SRXKAHCNSA-N 1 1 357.413 4.368 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)C1 ZINC000580395651 1081921439 /nfs/dbraw/zinc/92/14/39/1081921439.db2.gz HLSCNJUZNQNJRW-JTSKRJEESA-N 1 1 351.494 4.331 20 30 FIEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000091936407 1081927554 /nfs/dbraw/zinc/92/75/54/1081927554.db2.gz ASPXRUCMNJXQTG-LJQANCHMSA-N 1 1 354.500 4.417 20 30 FIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]2CCCC[C@H]12 ZINC000580971393 1082261350 /nfs/dbraw/zinc/26/13/50/1082261350.db2.gz BHGCJPIJBSWTHO-RKVPGOIHSA-N 1 1 371.550 4.338 20 30 FIEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001167447475 1082330756 /nfs/dbraw/zinc/33/07/56/1082330756.db2.gz MEEAVBUTLYAVSY-PMACEKPBSA-N 1 1 371.525 4.438 20 30 FIEDMO CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001167447478 1082330952 /nfs/dbraw/zinc/33/09/52/1082330952.db2.gz MEEAVBUTLYAVSY-WOJBJXKFSA-N 1 1 371.525 4.438 20 30 FIEDMO CCC[C@@]1(CO)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000581154845 1082349456 /nfs/dbraw/zinc/34/94/56/1082349456.db2.gz PKOCGZXPFZUSKG-HSZRJFAPSA-N 1 1 362.517 4.371 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000510395690 1082492101 /nfs/dbraw/zinc/49/21/01/1082492101.db2.gz JTTFXAJQBCXQJD-LJQANCHMSA-N 1 1 369.390 4.354 20 30 FIEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)COc2ccccc2C#N)c1 ZINC001167457906 1082524136 /nfs/dbraw/zinc/52/41/36/1082524136.db2.gz NBTKYUMKNKDCJD-VXKWHMMOSA-N 1 1 364.489 4.224 20 30 FIEDMO C#CCC1([NH2+]Cc2csc(N(C(C)=O)c3ccccc3CC)n2)CCC1 ZINC000933304059 1082657738 /nfs/dbraw/zinc/65/77/38/1082657738.db2.gz YFTIXQJXYGMPNS-UHFFFAOYSA-N 1 1 367.518 4.426 20 30 FIEDMO C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000581693430 1082811535 /nfs/dbraw/zinc/81/15/35/1082811535.db2.gz XDXSLASGJSWENM-UHFFFAOYSA-N 1 1 370.378 4.395 20 30 FIEDMO C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000581693430 1082811538 /nfs/dbraw/zinc/81/15/38/1082811538.db2.gz XDXSLASGJSWENM-UHFFFAOYSA-N 1 1 370.378 4.395 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000051180612 1082830136 /nfs/dbraw/zinc/83/01/36/1082830136.db2.gz VJUSIWBUTBOONR-QFIPXVFZSA-N 1 1 361.489 4.387 20 30 FIEDMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(Cl)cc3C#N)ccc2NC1=O ZINC000187434867 1082942073 /nfs/dbraw/zinc/94/20/73/1082942073.db2.gz HGMNDUHKVDZWBX-SGTLLEGYSA-N 1 1 369.852 4.172 20 30 FIEDMO CC[N@@H+](Cc1ccnn1-c1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000430739770 1083142634 /nfs/dbraw/zinc/14/26/34/1083142634.db2.gz IJIGZAJKAVLYRX-QGZVFWFLSA-N 1 1 360.461 4.336 20 30 FIEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1 ZINC000510535703 1083145971 /nfs/dbraw/zinc/14/59/71/1083145971.db2.gz VIZNZWGYWAIMBC-UHFFFAOYSA-N 1 1 358.388 4.203 20 30 FIEDMO N#CC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)CC1 ZINC000891852789 1083279750 /nfs/dbraw/zinc/27/97/50/1083279750.db2.gz SKBLNTQCTDDWSJ-UHFFFAOYSA-N 1 1 352.388 4.015 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000510732684 1083283290 /nfs/dbraw/zinc/28/32/90/1083283290.db2.gz JAOIBMRDJGPMQF-HXUWFJFHSA-N 1 1 365.477 4.038 20 30 FIEDMO C[N@@H+](CCCOc1ccccc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091899212 1083307633 /nfs/dbraw/zinc/30/76/33/1083307633.db2.gz HXZWBVNAYVKXCM-UHFFFAOYSA-N 1 1 374.488 4.365 20 30 FIEDMO N#CCCC[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000431143176 1083351131 /nfs/dbraw/zinc/35/11/31/1083351131.db2.gz IRCYFXUELVENTF-LJQANCHMSA-N 1 1 369.432 4.058 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(C#N)cs2)c1 ZINC000471942959 1083366756 /nfs/dbraw/zinc/36/67/56/1083366756.db2.gz GDFBKPDADANCAR-UHFFFAOYSA-N 1 1 355.507 4.172 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c1C#N ZINC000548865345 1083386293 /nfs/dbraw/zinc/38/62/93/1083386293.db2.gz ATUWCEPORRCOPP-RBZFPXEDSA-N 1 1 354.837 4.023 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638070 1083486666 /nfs/dbraw/zinc/48/66/66/1083486666.db2.gz MITCFFYHEGCHKZ-HSZRJFAPSA-N 1 1 362.473 4.043 20 30 FIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093868949 1083502037 /nfs/dbraw/zinc/50/20/37/1083502037.db2.gz NZZFFRTTXZMBOL-QZTJIDSGSA-N 1 1 362.539 4.484 20 30 FIEDMO CC(C)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCS1 ZINC000093869114 1083502894 /nfs/dbraw/zinc/50/28/94/1083502894.db2.gz RKGOAIXXMNVASM-LJQANCHMSA-N 1 1 354.523 4.037 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200488 1083546154 /nfs/dbraw/zinc/54/61/54/1083546154.db2.gz RFFBDLNTZKSWKA-HLAWJBBLSA-N 1 1 351.519 4.010 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200488 1083546160 /nfs/dbraw/zinc/54/61/60/1083546160.db2.gz RFFBDLNTZKSWKA-HLAWJBBLSA-N 1 1 351.519 4.010 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179934965 1083913590 /nfs/dbraw/zinc/91/35/90/1083913590.db2.gz PSNGMJGTGJKPCX-FQEVSTJZSA-N 1 1 356.473 4.023 20 30 FIEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000179942783 1083914973 /nfs/dbraw/zinc/91/49/73/1083914973.db2.gz ZDTMSPTYGRFFBP-MRXNPFEDSA-N 1 1 360.461 4.247 20 30 FIEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000540887893 1083941431 /nfs/dbraw/zinc/94/14/31/1083941431.db2.gz RHVXAMHWNDSKIF-ROUUACIJSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000540887893 1083941436 /nfs/dbraw/zinc/94/14/36/1083941436.db2.gz RHVXAMHWNDSKIF-ROUUACIJSA-N 1 1 374.271 4.040 20 30 FIEDMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946176 /nfs/dbraw/zinc/94/61/76/1083946176.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 1 1 363.505 4.052 20 30 FIEDMO COc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946180 /nfs/dbraw/zinc/94/61/80/1083946180.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 1 1 363.505 4.052 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C#N ZINC000610994701 1083946183 /nfs/dbraw/zinc/94/61/83/1083946183.db2.gz NJSYGEDGMQNNEI-AVRDEDQJSA-N 1 1 363.505 4.052 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994587 1083948135 /nfs/dbraw/zinc/94/81/35/1083948135.db2.gz IAEGUFOXQWVSSP-GOSISDBHSA-N 1 1 359.477 4.263 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC001167691404 1084128303 /nfs/dbraw/zinc/12/83/03/1084128303.db2.gz WVPIGVYOHWNOQS-FQEVSTJZSA-N 1 1 373.456 4.365 20 30 FIEDMO CO[C@H](C)C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000538719563 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1085056358 /nfs/dbraw/zinc/05/63/58/1085056358.db2.gz NYERVYOHTKHBRE-FQEVSTJZSA-N 1 1 361.470 4.255 20 30 FIEDMO N#Cc1cccc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000158374413 1085056363 /nfs/dbraw/zinc/05/63/63/1085056363.db2.gz NYERVYOHTKHBRE-FQEVSTJZSA-N 1 1 361.470 4.255 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000511854628 1085148535 /nfs/dbraw/zinc/14/85/35/1085148535.db2.gz JBFVQFUPOCWKAA-ZRBLBEILSA-N 1 1 373.500 4.201 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)Cc1ccsc1 ZINC000187776631 1085417261 /nfs/dbraw/zinc/41/72/61/1085417261.db2.gz WICKMQPUDFESDL-GFCCVEGCSA-N 1 1 361.536 4.190 20 30 FIEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000511187312 1085502535 /nfs/dbraw/zinc/50/25/35/1085502535.db2.gz SILVBQWNKSXXBO-NEFAXPCMSA-N 1 1 358.551 4.210 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000511187312 1085502547 /nfs/dbraw/zinc/50/25/47/1085502547.db2.gz SILVBQWNKSXXBO-NEFAXPCMSA-N 1 1 358.551 4.210 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000661376405 1085538761 /nfs/dbraw/zinc/53/87/61/1085538761.db2.gz BPFQZMNMAJNKJG-ZDUSSCGKSA-N 1 1 362.271 4.287 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661380655 1085539936 /nfs/dbraw/zinc/53/99/36/1085539936.db2.gz HZIFTMODHZCZKB-RBUKOAKNSA-N 1 1 366.509 4.104 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000187802409 1085567923 /nfs/dbraw/zinc/56/79/23/1085567923.db2.gz VRMNUWVXGAKCKD-ZDUSSCGKSA-N 1 1 361.898 4.165 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3CCc3ccccc3)o2)c1 ZINC000075641571 1085609479 /nfs/dbraw/zinc/60/94/79/1085609479.db2.gz WGNJHFZIPXJTBZ-FQEVSTJZSA-N 1 1 358.445 4.205 20 30 FIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000128499825 1085803403 /nfs/dbraw/zinc/80/34/03/1085803403.db2.gz VDVWOSRPWBEKFL-ZDUSSCGKSA-N 1 1 353.447 4.388 20 30 FIEDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000582861439 1085842686 /nfs/dbraw/zinc/84/26/86/1085842686.db2.gz BGQXMPKKUNHLNB-ZWKOTPCHSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000582861439 1085842692 /nfs/dbraw/zinc/84/26/92/1085842692.db2.gz BGQXMPKKUNHLNB-ZWKOTPCHSA-N 1 1 374.271 4.040 20 30 FIEDMO C=CCN1CC[C@H]([NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001167653210 1086233427 /nfs/dbraw/zinc/23/34/27/1086233427.db2.gz IYVGNRWPAHKLCV-SFHVURJKSA-N 1 1 365.304 4.260 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150761930 1086245701 /nfs/dbraw/zinc/24/57/01/1086245701.db2.gz JJASKZHVVLJAAE-OAHLLOKOSA-N 1 1 369.962 4.077 20 30 FIEDMO CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000514892652 1086318911 /nfs/dbraw/zinc/31/89/11/1086318911.db2.gz HNDYEHXXPYFNMV-MRXNPFEDSA-N 1 1 351.288 4.100 20 30 FIEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278126429 1086386994 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COc1ccc(-c2nnc(C[NH2+][C@@H](CCCC#N)c3ccccc3)o2)cc1 ZINC000433017076 1093105791 /nfs/dbraw/zinc/10/57/91/1093105791.db2.gz XAZFQHUKLGBTTH-IBGZPJMESA-N 1 1 362.433 4.270 20 30 FIEDMO Cc1sc2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433021917 1093116628 /nfs/dbraw/zinc/11/66/28/1093116628.db2.gz HZMHMFTTZPFIRH-INIZCTEOSA-N 1 1 365.506 4.415 20 30 FIEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000433026970 1093126126 /nfs/dbraw/zinc/12/61/26/1093126126.db2.gz IYOYPHOXOKVOON-GOSISDBHSA-N 1 1 350.397 4.400 20 30 FIEDMO Cc1c(C#N)cccc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000512730582 1093220324 /nfs/dbraw/zinc/22/03/24/1093220324.db2.gz SGULJMAZLIYMPK-UHFFFAOYSA-N 1 1 373.456 4.022 20 30 FIEDMO Cc1c(C#N)cccc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000512730582 1093220328 /nfs/dbraw/zinc/22/03/28/1093220328.db2.gz SGULJMAZLIYMPK-UHFFFAOYSA-N 1 1 373.456 4.022 20 30 FIEDMO C[C@H](c1cccc(NCC#Cc2ccc(Cl)cc2)c1)[NH+]1CCOCC1 ZINC000443538770 1093250378 /nfs/dbraw/zinc/25/03/78/1093250378.db2.gz MMZWPADRTZMWBE-QGZVFWFLSA-N 1 1 354.881 4.197 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000522294067 1093281583 /nfs/dbraw/zinc/28/15/83/1093281583.db2.gz VJQSECWKYWJEPA-QFIPXVFZSA-N 1 1 363.505 4.049 20 30 FIEDMO CCCCCCCCOc1ccc(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)cc1 ZINC001211789622 1093327226 /nfs/dbraw/zinc/32/72/26/1093327226.db2.gz XZEFZCAOXZRTFW-GOSISDBHSA-N 1 1 373.497 4.043 20 30 FIEDMO CCCCCCCCOc1ccc(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)cc1 ZINC001211789622 1093327237 /nfs/dbraw/zinc/32/72/37/1093327237.db2.gz XZEFZCAOXZRTFW-GOSISDBHSA-N 1 1 373.497 4.043 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](CCOc3ccccc3Cl)CC2)c(F)c1 ZINC000512829970 1093410752 /nfs/dbraw/zinc/41/07/52/1093410752.db2.gz YHJDWCQHAGJDBE-UHFFFAOYSA-N 1 1 374.843 4.273 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000474159270 1093505636 /nfs/dbraw/zinc/50/56/36/1093505636.db2.gz OXHMDICKAJGAHX-CMKODMSKSA-N 1 1 350.453 4.207 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000474159270 1093505645 /nfs/dbraw/zinc/50/56/45/1093505645.db2.gz OXHMDICKAJGAHX-CMKODMSKSA-N 1 1 350.453 4.207 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433285264 1093552756 /nfs/dbraw/zinc/55/27/56/1093552756.db2.gz HJFMDNCNZGCKCR-WMLDXEAASA-N 1 1 353.853 4.028 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433285264 1093552763 /nfs/dbraw/zinc/55/27/63/1093552763.db2.gz HJFMDNCNZGCKCR-WMLDXEAASA-N 1 1 353.853 4.028 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001141816739 1093597464 /nfs/dbraw/zinc/59/74/64/1093597464.db2.gz JUTUSCIYIHMGAN-UHFFFAOYSA-N 1 1 351.263 4.425 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001141816739 1093597471 /nfs/dbraw/zinc/59/74/71/1093597471.db2.gz JUTUSCIYIHMGAN-UHFFFAOYSA-N 1 1 351.263 4.425 20 30 FIEDMO CC1(C)OCCC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC001141818430 1093608677 /nfs/dbraw/zinc/60/86/77/1093608677.db2.gz CGNWJMCBFPLNGB-UHFFFAOYSA-N 1 1 363.299 4.102 20 30 FIEDMO CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000513061434 1093713400 /nfs/dbraw/zinc/71/34/00/1093713400.db2.gz MIUIVVXXFYOVRG-WIYYLYMNSA-N 1 1 361.489 4.164 20 30 FIEDMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000053139688 1093755326 /nfs/dbraw/zinc/75/53/26/1093755326.db2.gz STBSXRYVMQSVHF-SFHVURJKSA-N 1 1 353.491 4.004 20 30 FIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000053139688 1093755331 /nfs/dbraw/zinc/75/53/31/1093755331.db2.gz STBSXRYVMQSVHF-SFHVURJKSA-N 1 1 353.491 4.004 20 30 FIEDMO N#Cc1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000025438841 1093777904 /nfs/dbraw/zinc/77/79/04/1093777904.db2.gz PMQQVVIQRDLVIT-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000513077939 1093780315 /nfs/dbraw/zinc/78/03/15/1093780315.db2.gz WEVWGZNTDNHPCR-HKKHYUGTSA-N 1 1 367.537 4.242 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000513231329 1094014400 /nfs/dbraw/zinc/01/44/00/1094014400.db2.gz HPBHOYJCGZISJG-UGSOOPFHSA-N 1 1 353.491 4.258 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000513231329 1094014408 /nfs/dbraw/zinc/01/44/08/1094014408.db2.gz HPBHOYJCGZISJG-UGSOOPFHSA-N 1 1 353.491 4.258 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237232 1094031225 /nfs/dbraw/zinc/03/12/25/1094031225.db2.gz WOKKFFQCMBNKRH-AUUYWEPGSA-N 1 1 353.853 4.233 20 30 FIEDMO CCc1ccc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000513369968 1094088789 /nfs/dbraw/zinc/08/87/89/1094088789.db2.gz GLKZVPZQFLJKMX-LJQANCHMSA-N 1 1 367.518 4.390 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000664213845 1094237533 /nfs/dbraw/zinc/23/75/33/1094237533.db2.gz RKJLLLITLLVSJF-VXIBKDFQSA-N 1 1 359.539 4.024 20 30 FIEDMO C=CCOc1cccc(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000513622567 1094241311 /nfs/dbraw/zinc/24/13/11/1094241311.db2.gz UXFQCQCWIKFTOW-UHFFFAOYSA-N 1 1 350.231 4.443 20 30 FIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000183246504 1094622785 /nfs/dbraw/zinc/62/27/85/1094622785.db2.gz DOHCZBTZZCDTAL-QFIPXVFZSA-N 1 1 372.472 4.304 20 30 FIEDMO Cn1c2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2nc1C1CC1 ZINC000329078613 1094730165 /nfs/dbraw/zinc/73/01/65/1094730165.db2.gz QNJBSQUPNRPBSL-QGZVFWFLSA-N 1 1 354.498 4.172 20 30 FIEDMO O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329237634 1094791458 /nfs/dbraw/zinc/79/14/58/1094791458.db2.gz KLIBLNJRWPQNSM-UYAOXDASSA-N 1 1 367.493 4.183 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001141902885 1094800696 /nfs/dbraw/zinc/80/06/96/1094800696.db2.gz HTRJIDQZFZGLLG-OAHLLOKOSA-N 1 1 359.242 4.449 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001141902885 1094800712 /nfs/dbraw/zinc/80/07/12/1094800712.db2.gz HTRJIDQZFZGLLG-OAHLLOKOSA-N 1 1 359.242 4.449 20 30 FIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCc3occc3C1)CCC2 ZINC000329281240 1094816981 /nfs/dbraw/zinc/81/69/81/1094816981.db2.gz ABOGTMYIGKVGQQ-UHFFFAOYSA-N 1 1 355.463 4.128 20 30 FIEDMO CN(C)c1cccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000329318630 1094838490 /nfs/dbraw/zinc/83/84/90/1094838490.db2.gz SWJXZJRFMXKEJX-MRXNPFEDSA-N 1 1 367.497 4.242 20 30 FIEDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1C#N ZINC001141905173 1094872728 /nfs/dbraw/zinc/87/27/28/1094872728.db2.gz UVBJGCQRBURYNI-UHFFFAOYSA-N 1 1 373.294 4.094 20 30 FIEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1C#N ZINC001141905173 1094872748 /nfs/dbraw/zinc/87/27/48/1094872748.db2.gz UVBJGCQRBURYNI-UHFFFAOYSA-N 1 1 373.294 4.094 20 30 FIEDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1 ZINC000329409122 1094887457 /nfs/dbraw/zinc/88/74/57/1094887457.db2.gz BEGWCPDBFLUMNV-NUJGCVRESA-N 1 1 359.514 4.265 20 30 FIEDMO O=C(NCC1(CCO)CCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329416806 1094893328 /nfs/dbraw/zinc/89/33/28/1094893328.db2.gz DEIATFNUSKFZMJ-QGZVFWFLSA-N 1 1 359.514 4.002 20 30 FIEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(Br)ccc1C#N ZINC001141907625 1094927161 /nfs/dbraw/zinc/92/71/61/1094927161.db2.gz HTLHOKKAAGRAQF-UHFFFAOYSA-N 1 1 373.294 4.394 20 30 FIEDMO COc1cccc(NC2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)c1 ZINC000329488212 1094931748 /nfs/dbraw/zinc/93/17/48/1094931748.db2.gz RTZWNRGQMVODMR-UHFFFAOYSA-N 1 1 359.514 4.107 20 30 FIEDMO O=C(NCCc1ccncc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329507061 1094943361 /nfs/dbraw/zinc/94/33/61/1094943361.db2.gz ZVQZMXXDFZWXKC-GOSISDBHSA-N 1 1 352.482 4.087 20 30 FIEDMO O=C(NCCc1ccncc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329507067 1094943664 /nfs/dbraw/zinc/94/36/64/1094943664.db2.gz ZVQZMXXDFZWXKC-SFHVURJKSA-N 1 1 352.482 4.087 20 30 FIEDMO Cc1ncc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)s1 ZINC000329574768 1094980372 /nfs/dbraw/zinc/98/03/72/1094980372.db2.gz VJWCOBHXRGJACN-OAHLLOKOSA-N 1 1 373.526 4.332 20 30 FIEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000329587027 1094984808 /nfs/dbraw/zinc/98/48/08/1094984808.db2.gz MQUOBTJIODCYPN-MSOLQXFVSA-N 1 1 374.529 4.327 20 30 FIEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2 ZINC000502015993 1095057493 /nfs/dbraw/zinc/05/74/93/1095057493.db2.gz IPRBTKXSFRZGGC-GFCCVEGCSA-N 1 1 350.409 4.353 20 30 FIEDMO CC[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC(=O)N1 ZINC000329730303 1095239534 /nfs/dbraw/zinc/23/95/34/1095239534.db2.gz GEFZEGFXPFKVDF-XYVMCAHJSA-N 1 1 373.497 4.029 20 30 FIEDMO N#CC(CC[N@@H+]1CCC[C@@H](CCO)CC1)(c1ccccc1)c1ccccc1 ZINC000421020650 1095255895 /nfs/dbraw/zinc/25/58/95/1095255895.db2.gz RIWOJSCWUZUXCT-OAQYLSRUSA-N 1 1 362.517 4.371 20 30 FIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCc2ccccc21 ZINC000329792167 1095267179 /nfs/dbraw/zinc/26/71/79/1095267179.db2.gz FHADGXINCANOFX-CBPXPLCBSA-N 1 1 370.537 4.426 20 30 FIEDMO Cc1cc(Cl)c(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000329840940 1095288907 /nfs/dbraw/zinc/28/89/07/1095288907.db2.gz OJGMOOSEJNDCNP-NSHDSACASA-N 1 1 353.253 4.087 20 30 FIEDMO O=C(Nc1cccc2c1CCCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329879058 1095302174 /nfs/dbraw/zinc/30/21/74/1095302174.db2.gz LSSPLECZWVEQJW-JOCHJYFZSA-N 1 1 364.489 4.351 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475044301 1095318235 /nfs/dbraw/zinc/31/82/35/1095318235.db2.gz DABNSGSXWHFEJI-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475044301 1095318256 /nfs/dbraw/zinc/31/82/56/1095318256.db2.gz DABNSGSXWHFEJI-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000330066903 1095367166 /nfs/dbraw/zinc/36/71/66/1095367166.db2.gz TZZJWSPYFIMHIF-KRWDZBQOSA-N 1 1 352.482 4.498 20 30 FIEDMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000330066903 1095367175 /nfs/dbraw/zinc/36/71/75/1095367175.db2.gz TZZJWSPYFIMHIF-KRWDZBQOSA-N 1 1 352.482 4.498 20 30 FIEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502336339 1095372661 /nfs/dbraw/zinc/37/26/61/1095372661.db2.gz IOOCMLFTSQZXOE-SJLPKXTDSA-N 1 1 358.530 4.463 20 30 FIEDMO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)sc1SCC#N ZINC000330147750 1095395176 /nfs/dbraw/zinc/39/51/76/1095395176.db2.gz UHZFBOPAHXADMK-CYBMUJFWSA-N 1 1 350.513 4.062 20 30 FIEDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330263557 1095438853 /nfs/dbraw/zinc/43/88/53/1095438853.db2.gz WRMICZYHDUCUJZ-UKRRQHHQSA-N 1 1 366.889 4.074 20 30 FIEDMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330263557 1095438862 /nfs/dbraw/zinc/43/88/62/1095438862.db2.gz WRMICZYHDUCUJZ-UKRRQHHQSA-N 1 1 366.889 4.074 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000502448755 1095472385 /nfs/dbraw/zinc/47/23/85/1095472385.db2.gz YOOSQQOFVWGOTJ-SZYSYYJISA-N 1 1 352.522 4.148 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000502448755 1095472394 /nfs/dbraw/zinc/47/23/94/1095472394.db2.gz YOOSQQOFVWGOTJ-SZYSYYJISA-N 1 1 352.522 4.148 20 30 FIEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421320088 1095518298 /nfs/dbraw/zinc/51/82/98/1095518298.db2.gz AARYVFVGCNQSQS-QGZVFWFLSA-N 1 1 351.469 4.362 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000421320088 1095518323 /nfs/dbraw/zinc/51/83/23/1095518323.db2.gz AARYVFVGCNQSQS-QGZVFWFLSA-N 1 1 351.469 4.362 20 30 FIEDMO Cc1cnc(C2CC[NH+](CC(=O)N[C@H]3CCOc4ccccc43)CC2)s1 ZINC000330337412 1095533134 /nfs/dbraw/zinc/53/31/34/1095533134.db2.gz UAGAWFXBXQYCAR-KRWDZBQOSA-N 1 1 371.506 4.111 20 30 FIEDMO COc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1N1CCCCC1=O ZINC000330346719 1095549592 /nfs/dbraw/zinc/54/95/92/1095549592.db2.gz GYCLUFUEYKZLEX-QGZVFWFLSA-N 1 1 373.497 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369.534 4.065 20 30 FIEDMO C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000466985239 1111178160 /nfs/dbraw/zinc/17/81/60/1111178160.db2.gz URGPFVKZJIZJSO-IBGZPJMESA-N 1 1 369.534 4.065 20 30 FIEDMO C=CCc1cc(C[N@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(OC)c1O ZINC000538717657 1111258623 /nfs/dbraw/zinc/25/86/23/1111258623.db2.gz PNBUXAPSNWAYDB-IOMROCGXSA-N 1 1 359.510 4.155 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538724693 1111275078 /nfs/dbraw/zinc/27/50/78/1111275078.db2.gz WRYPUEPVXIIXMD-PKTZIBPZSA-N 1 1 356.473 4.453 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538724693 1111275082 /nfs/dbraw/zinc/27/50/82/1111275082.db2.gz WRYPUEPVXIIXMD-PKTZIBPZSA-N 1 1 356.473 4.453 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]4COCC[C@@H]43)c2)c1 ZINC000538792318 1111301870 /nfs/dbraw/zinc/30/18/70/1111301870.db2.gz NRQGQCKTJMKATC-GMAHTHKFSA-N 1 1 362.473 4.138 20 30 FIEDMO C=CC[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000538955997 1111358731 /nfs/dbraw/zinc/35/87/31/1111358731.db2.gz GMMXYMASKUSVTN-NRFANRHFSA-N 1 1 373.500 4.066 20 30 FIEDMO C=CC[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000538955997 1111358735 /nfs/dbraw/zinc/35/87/35/1111358735.db2.gz GMMXYMASKUSVTN-NRFANRHFSA-N 1 1 373.500 4.066 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC(C)(C)CCC#N)cc2)C1 ZINC000478802656 1111887742 /nfs/dbraw/zinc/88/77/42/1111887742.db2.gz UCSCZUBKBPZBOT-SFHVURJKSA-N 1 1 370.541 4.048 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520351 1111998335 /nfs/dbraw/zinc/99/83/35/1111998335.db2.gz XGGHSVZPVHWWNY-OALUTQOASA-N 1 1 362.502 4.420 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520351 1111998336 /nfs/dbraw/zinc/99/83/36/1111998336.db2.gz XGGHSVZPVHWWNY-OALUTQOASA-N 1 1 362.502 4.420 20 30 FIEDMO N#Cc1ccc2nc(N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2c1 ZINC000553680332 1112050613 /nfs/dbraw/zinc/05/06/13/1112050613.db2.gz LIAICOBYASYCHR-XMMPIXPASA-N 1 1 368.484 4.209 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000554253120 1112263103 /nfs/dbraw/zinc/26/31/03/1112263103.db2.gz GQVXFOFCHKROKP-HXUWFJFHSA-N 1 1 361.917 4.099 20 30 FIEDMO COc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1OCCCC#N ZINC000898515517 1112287514 /nfs/dbraw/zinc/28/75/14/1112287514.db2.gz AUODRKSPUJQKKR-PMACEKPBSA-N 1 1 372.509 4.016 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000554309840 1112296753 /nfs/dbraw/zinc/29/67/53/1112296753.db2.gz XDKVJRMJULREKK-UHFFFAOYSA-N 1 1 354.466 4.413 20 30 FIEDMO CN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480526369 1112458770 /nfs/dbraw/zinc/45/87/70/1112458770.db2.gz NHMDMSCGTFFLBL-SFHVURJKSA-N 1 1 353.897 4.166 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000480529637 1112469963 /nfs/dbraw/zinc/46/99/63/1112469963.db2.gz RXTVEGIRMXRARA-MRXNPFEDSA-N 1 1 353.853 4.062 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000480529637 1112469968 /nfs/dbraw/zinc/46/99/68/1112469968.db2.gz RXTVEGIRMXRARA-MRXNPFEDSA-N 1 1 353.853 4.062 20 30 FIEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)cc1 ZINC000480749378 1112577260 /nfs/dbraw/zinc/57/72/60/1112577260.db2.gz NUWAGPCECBHEPD-INIZCTEOSA-N 1 1 371.278 4.319 20 30 FIEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000156690269 1112675324 /nfs/dbraw/zinc/67/53/24/1112675324.db2.gz ZIUYZZHENWMIIN-UHFFFAOYSA-N 1 1 372.472 4.145 20 30 FIEDMO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000555146979 1112694076 /nfs/dbraw/zinc/69/40/76/1112694076.db2.gz HZMFQRBZLDWKMH-SIKLNZKXSA-N 1 1 361.489 4.059 20 30 FIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCOCCC#N)c1 ZINC000555422842 1112828782 /nfs/dbraw/zinc/82/87/82/1112828782.db2.gz JUJLCOCDQBNYNG-FCHUYYIVSA-N 1 1 350.462 4.156 20 30 FIEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000481267016 1112841575 /nfs/dbraw/zinc/84/15/75/1112841575.db2.gz FSYCGEHDHSGNMK-LJQANCHMSA-N 1 1 353.422 4.091 20 30 FIEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000481267016 1112841578 /nfs/dbraw/zinc/84/15/78/1112841578.db2.gz FSYCGEHDHSGNMK-LJQANCHMSA-N 1 1 353.422 4.091 20 30 FIEDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000481273399 1112847935 /nfs/dbraw/zinc/84/79/35/1112847935.db2.gz XXLOEKVTLQJCEZ-HNNXBMFYSA-N 1 1 373.294 4.094 20 30 FIEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000481273399 1112847938 /nfs/dbraw/zinc/84/79/38/1112847938.db2.gz XXLOEKVTLQJCEZ-HNNXBMFYSA-N 1 1 373.294 4.094 20 30 FIEDMO COCC[N@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)c1 ZINC000555537768 1112917079 /nfs/dbraw/zinc/91/70/79/1112917079.db2.gz WEBUNKWKVWXNQO-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO COCC[N@@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)c1 ZINC000555537768 1112917081 /nfs/dbraw/zinc/91/70/81/1112917081.db2.gz WEBUNKWKVWXNQO-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000600213894 1112926059 /nfs/dbraw/zinc/92/60/59/1112926059.db2.gz IPZOLSDXMDBZRK-UHFFFAOYSA-N 1 1 369.468 4.285 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(F)c(F)c1 ZINC000481570899 1112985026 /nfs/dbraw/zinc/98/50/26/1112985026.db2.gz NDZWUPMPKPEQEV-SFHVURJKSA-N 1 1 363.408 4.096 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(Cc1ccc(C)o1)C1CC1)c1ccc(F)c(F)c1 ZINC000481590919 1112988165 /nfs/dbraw/zinc/98/81/65/1112988165.db2.gz IKKKBZIZAHCNNY-NRFANRHFSA-N 1 1 374.431 4.264 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(CC)s1)c1ccc(F)c(F)c1 ZINC000481582820 1112989268 /nfs/dbraw/zinc/98/92/68/1112989268.db2.gz VEYLGLWTXIVRRQ-IBGZPJMESA-N 1 1 364.461 4.112 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481584268 1112989731 /nfs/dbraw/zinc/98/97/31/1112989731.db2.gz DYRVLFRVRAYJDR-RBZFPXEDSA-N 1 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CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCSCC#N ZINC000481831203 1113094410 /nfs/dbraw/zinc/09/44/10/1113094410.db2.gz LSGHATZVAJQSNJ-OAHLLOKOSA-N 1 1 355.345 4.349 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249114441 1113262470 /nfs/dbraw/zinc/26/24/70/1113262470.db2.gz YJOYJQNDTALUNF-OALUTQOASA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249114441 1113262473 /nfs/dbraw/zinc/26/24/73/1113262473.db2.gz YJOYJQNDTALUNF-OALUTQOASA-N 1 1 368.868 4.087 20 30 FIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000482635242 1113320881 /nfs/dbraw/zinc/32/08/81/1113320881.db2.gz WFWIGWUMTVXZOV-LJQANCHMSA-N 1 1 366.553 4.489 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305945 1113349410 /nfs/dbraw/zinc/34/94/10/1113349410.db2.gz CBOMHGKRDXWEHP-HNNXBMFYSA-N 1 1 359.882 4.091 20 30 FIEDMO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000482927525 1113398338 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CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000598621025 1115740317 /nfs/dbraw/zinc/74/03/17/1115740317.db2.gz QWLCRDQPBPIMTF-RHSMWYFYSA-N 1 1 360.889 4.044 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000598685001 1115745124 /nfs/dbraw/zinc/74/51/24/1115745124.db2.gz WJDOJLNTWDUZNX-HNNXBMFYSA-N 1 1 373.859 4.246 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000598685001 1115745126 /nfs/dbraw/zinc/74/51/26/1115745126.db2.gz WJDOJLNTWDUZNX-HNNXBMFYSA-N 1 1 373.859 4.246 20 30 FIEDMO CC(C)(C)c1cnc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593692424 1115795225 /nfs/dbraw/zinc/79/52/25/1115795225.db2.gz FEGFNLWOHFARRZ-UHFFFAOYSA-N 1 1 368.550 4.066 20 30 FIEDMO C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccc(F)c1F ZINC000593719380 1115802717 /nfs/dbraw/zinc/80/27/17/1115802717.db2.gz CNBDYSZVSPKTJU-OAHLLOKOSA-N 1 1 355.432 4.152 20 30 FIEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599265090 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JLZNPAYCIWCWPB-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO CC(C)Oc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000603836825 1115819763 /nfs/dbraw/zinc/81/97/63/1115819763.db2.gz JLZNPAYCIWCWPB-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO CC(C)Oc1cccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000603836825 1115819766 /nfs/dbraw/zinc/81/97/66/1115819766.db2.gz JLZNPAYCIWCWPB-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCSCC#N ZINC000599572663 1115827138 /nfs/dbraw/zinc/82/71/38/1115827138.db2.gz DTHSFTGOGFHLLY-OAHLLOKOSA-N 1 1 369.328 4.241 20 30 FIEDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000599653929 1115835863 /nfs/dbraw/zinc/83/58/63/1115835863.db2.gz XUZIQLCUSDUCRP-XJKSGUPXSA-N 1 1 356.267 4.094 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000599653927 1115835975 /nfs/dbraw/zinc/83/59/75/1115835975.db2.gz XUZIQLCUSDUCRP-CJNGLKHVSA-N 1 1 356.267 4.094 20 30 FIEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 ZINC000604492837 1115867794 /nfs/dbraw/zinc/86/77/94/1115867794.db2.gz DBGIELYBYGOJND-SFHVURJKSA-N 1 1 353.491 4.348 20 30 FIEDMO COc1ccc(-c2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)on2)cc1 ZINC000604492208 1115867832 /nfs/dbraw/zinc/86/78/32/1115867832.db2.gz FDLIKFYTFXECCK-UHFFFAOYSA-N 1 1 359.429 4.386 20 30 FIEDMO COc1ccc(-c2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)on2)cc1 ZINC000604492208 1115867833 /nfs/dbraw/zinc/86/78/33/1115867833.db2.gz FDLIKFYTFXECCK-UHFFFAOYSA-N 1 1 359.429 4.386 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000604494822 1115868221 /nfs/dbraw/zinc/86/82/21/1115868221.db2.gz MOQGLFPEYCJGNY-UHFFFAOYSA-N 1 1 373.859 4.447 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000062364416 1115922737 /nfs/dbraw/zinc/92/27/37/1115922737.db2.gz QYJXRVHOIKUWNY-UHFFFAOYSA-N 1 1 362.926 4.091 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000062364416 1115922739 /nfs/dbraw/zinc/92/27/39/1115922739.db2.gz QYJXRVHOIKUWNY-UHFFFAOYSA-N 1 1 362.926 4.091 20 30 FIEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)c1 ZINC000594008488 1115958966 /nfs/dbraw/zinc/95/89/66/1115958966.db2.gz QMUQYERDFLWESV-MRXNPFEDSA-N 1 1 356.267 4.014 20 30 FIEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1F ZINC000594035780 1115972751 /nfs/dbraw/zinc/97/27/51/1115972751.db2.gz VHADJNNVIDCDAP-UHFFFAOYSA-N 1 1 350.315 4.375 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000172919964 1116004539 /nfs/dbraw/zinc/00/45/39/1116004539.db2.gz SGJZFMXBOIRMMM-HZPDHXFCSA-N 1 1 357.527 4.130 20 30 FIEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000172919964 1116004542 /nfs/dbraw/zinc/00/45/42/1116004542.db2.gz SGJZFMXBOIRMMM-HZPDHXFCSA-N 1 1 357.527 4.130 20 30 FIEDMO N#CCC1CC[NH+](Cc2cccc(Br)c2Br)CC1 ZINC001232763584 1116077994 /nfs/dbraw/zinc/07/79/94/1116077994.db2.gz QXRYGDJFRNLUAB-UHFFFAOYSA-N 1 1 372.104 4.337 20 30 FIEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC[N@H+]1C ZINC000608273176 1116093570 /nfs/dbraw/zinc/09/35/70/1116093570.db2.gz JFCADBLRUFASLL-VQIMIIECSA-N 1 1 367.518 4.094 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000130038719 1116128426 /nfs/dbraw/zinc/12/84/26/1116128426.db2.gz OKUBNTWCGJQJAD-IBGZPJMESA-N 1 1 362.473 4.138 20 30 FIEDMO C[C@@H](C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000608993052 1116141221 /nfs/dbraw/zinc/14/12/21/1116141221.db2.gz LARXVIAWMVHLOH-KRWDZBQOSA-N 1 1 369.896 4.322 20 30 FIEDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000609029968 1116141692 /nfs/dbraw/zinc/14/16/92/1116141692.db2.gz MIDMNFVNMCOJTG-UHFFFAOYSA-N 1 1 351.469 4.041 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000609029968 1116141693 /nfs/dbraw/zinc/14/16/93/1116141693.db2.gz MIDMNFVNMCOJTG-UHFFFAOYSA-N 1 1 351.469 4.041 20 30 FIEDMO Cc1cc(C#N)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000455997469 1116147932 /nfs/dbraw/zinc/14/79/32/1116147932.db2.gz JHEDIVLHPBLMSV-FRIKZZABSA-N 1 1 374.488 4.184 20 30 FIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCOc4ccccc4C#N)C3)nc2c1 ZINC000534216143 1116171837 /nfs/dbraw/zinc/17/18/37/1116171837.db2.gz HQAQRVSVCALUPN-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCOc4ccccc4C#N)C3)[nH]c2c1 ZINC000534216143 1116171839 /nfs/dbraw/zinc/17/18/39/1116171839.db2.gz HQAQRVSVCALUPN-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCOc4ccccc4C#N)C3)[nH]c2c1 ZINC000534216143 1116171841 /nfs/dbraw/zinc/17/18/41/1116171841.db2.gz HQAQRVSVCALUPN-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1OCCCC#N ZINC000534331824 1116185786 /nfs/dbraw/zinc/18/57/86/1116185786.db2.gz OKLVNAGSCINVMH-LJQANCHMSA-N 1 1 351.450 4.110 20 30 FIEDMO COc1cccc(Cl)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000534344009 1116186614 /nfs/dbraw/zinc/18/66/14/1116186614.db2.gz FXKWCHJPGPKFGR-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C=C(C)[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)OCC ZINC000534402931 1116195886 /nfs/dbraw/zinc/19/58/86/1116195886.db2.gz MBTKSTOCSRAZMI-GHTZIAJQSA-N 1 1 358.526 4.049 20 30 FIEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1C#N ZINC000534474893 1116206913 /nfs/dbraw/zinc/20/69/13/1116206913.db2.gz SKNHOATVLFZPPN-UHFFFAOYSA-N 1 1 352.409 4.043 20 30 FIEDMO CC(C)(C)Oc1cccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000508840580 1116246209 /nfs/dbraw/zinc/24/62/09/1116246209.db2.gz ZTRIYMDNCWILEZ-UHFFFAOYSA-N 1 1 365.477 4.174 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534861364 1116246434 /nfs/dbraw/zinc/24/64/34/1116246434.db2.gz WKCHKWZDNIECKV-UYAOXDASSA-N 1 1 370.880 4.080 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534861364 1116246436 /nfs/dbraw/zinc/24/64/36/1116246436.db2.gz WKCHKWZDNIECKV-UYAOXDASSA-N 1 1 370.880 4.080 20 30 FIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCOc4cccc(C#N)c4)C3)nc2c1 ZINC000534952248 1116255676 /nfs/dbraw/zinc/25/56/76/1116255676.db2.gz YLXWDGVVDQJUOG-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCOc4cccc(C#N)c4)C3)[nH]c2c1 ZINC000534952248 1116255678 /nfs/dbraw/zinc/25/56/78/1116255678.db2.gz YLXWDGVVDQJUOG-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCOc4cccc(C#N)c4)C3)[nH]c2c1 ZINC000534952248 1116255680 /nfs/dbraw/zinc/25/56/80/1116255680.db2.gz YLXWDGVVDQJUOG-GOSISDBHSA-N 1 1 360.461 4.001 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC000539669353 1116363557 /nfs/dbraw/zinc/36/35/57/1116363557.db2.gz QJXSGYIJRNBVBA-UHFFFAOYSA-N 1 1 351.368 4.309 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC000539669353 1116363559 /nfs/dbraw/zinc/36/35/59/1116363559.db2.gz QJXSGYIJRNBVBA-UHFFFAOYSA-N 1 1 351.368 4.309 20 30 FIEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539700981 1116368953 /nfs/dbraw/zinc/36/89/53/1116368953.db2.gz WHSRCWZQSNQJDM-HKUYNNGSSA-N 1 1 352.881 4.475 20 30 FIEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539700981 1116368955 /nfs/dbraw/zinc/36/89/55/1116368955.db2.gz WHSRCWZQSNQJDM-HKUYNNGSSA-N 1 1 352.881 4.475 20 30 FIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ncc(C#N)cc1Cl ZINC000462882282 1117837876 /nfs/dbraw/zinc/83/78/76/1117837876.db2.gz GAORFMCREMUGRE-UHFFFAOYSA-N 1 1 366.852 4.444 20 30 FIEDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000540149050 1117898599 /nfs/dbraw/zinc/89/85/99/1117898599.db2.gz LTDABWYDZSWWLZ-YWZLYKJASA-N 1 1 351.450 4.349 20 30 FIEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000463074458 1117957081 /nfs/dbraw/zinc/95/70/81/1117957081.db2.gz RYTFSKHOKIHADR-AGHHOFFYSA-N 1 1 359.477 4.015 20 30 FIEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccccc2OC(C)C)c(C#N)c1C ZINC000540325811 1117993242 /nfs/dbraw/zinc/99/32/42/1117993242.db2.gz LFLJZNIOKGQFQJ-AWEZNQCLSA-N 1 1 371.506 4.313 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000463217690 1118041091 /nfs/dbraw/zinc/04/10/91/1118041091.db2.gz 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FIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610944675 1083860202 /nfs/dbraw/zinc/86/02/02/1083860202.db2.gz IOBGVEJQBCBUQJ-HXUWFJFHSA-N 1 1 363.461 4.123 20 30 FIEDMO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000610943987 1083860519 /nfs/dbraw/zinc/86/05/19/1083860519.db2.gz UFCAGNSZWFTTRN-GOSISDBHSA-N 1 1 353.466 4.054 20 30 FIEDMO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000610943987 1083860529 /nfs/dbraw/zinc/86/05/29/1083860529.db2.gz UFCAGNSZWFTTRN-GOSISDBHSA-N 1 1 353.466 4.054 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179932389 1083905168 /nfs/dbraw/zinc/90/51/68/1083905168.db2.gz AAZWRRLFIUZGNZ-OAQYLSRUSA-N 1 1 360.436 4.435 20 30 FIEDMO COc1ccc(C[N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1C#N ZINC000610991385 1083932669 /nfs/dbraw/zinc/93/26/69/1083932669.db2.gz HKGDQNYOFIDJQC-UHFFFAOYSA-N 1 1 374.488 4.310 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1C#N ZINC000610991385 1083932675 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COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000539270497 1084449163 /nfs/dbraw/zinc/44/91/63/1084449163.db2.gz LKESTEVIXXGOJA-NSHDSACASA-N 1 1 350.340 4.158 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000123467331 1084546364 /nfs/dbraw/zinc/54/63/64/1084546364.db2.gz JFAAADPHVKDWHS-UHFFFAOYSA-N 1 1 371.481 4.185 20 30 FIEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000478035475 1084575091 /nfs/dbraw/zinc/57/50/91/1084575091.db2.gz OGLHWSLZUVYHMI-GOSISDBHSA-N 1 1 350.491 4.339 20 30 FIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn3ccccc3c1C#N)CCC2 ZINC000478035475 1084575103 /nfs/dbraw/zinc/57/51/03/1084575103.db2.gz OGLHWSLZUVYHMI-GOSISDBHSA-N 1 1 350.491 4.339 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119873200 1084680013 /nfs/dbraw/zinc/68/00/13/1084680013.db2.gz YLQXEAOYFYDHSZ-HNNXBMFYSA-N 1 1 354.450 4.167 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173922398 1084709927 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365.506 4.133 20 30 FIEDMO CN(C)CC[N@@H+](Cc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000582514791 1085083565 /nfs/dbraw/zinc/08/35/65/1085083565.db2.gz VTQLGRZMOGOJQQ-UHFFFAOYSA-N 1 1 366.347 4.143 20 30 FIEDMO C[NH+](C)CCN(Cc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000582514791 1085083576 /nfs/dbraw/zinc/08/35/76/1085083576.db2.gz VTQLGRZMOGOJQQ-UHFFFAOYSA-N 1 1 366.347 4.143 20 30 FIEDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001167603021 1085436976 /nfs/dbraw/zinc/43/69/76/1085436976.db2.gz SUSSEWKDCJQNSF-KPLVRAHFSA-N 1 1 361.489 4.401 20 30 FIEDMO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)cccc1Cl)CC2 ZINC001203417581 1085478147 /nfs/dbraw/zinc/47/81/47/1085478147.db2.gz YFIXLPHPOBOMLL-UHFFFAOYSA-N 1 1 353.293 4.136 20 30 FIEDMO C=CCn1c(C2CC2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000582753506 1085664158 /nfs/dbraw/zinc/66/41/58/1085664158.db2.gz HBMLJJIVNGPBJP-PXNSSMCTSA-N 1 1 365.525 4.003 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000662077594 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C[N@@H+](CCCCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435130718 1089314042 /nfs/dbraw/zinc/31/40/42/1089314042.db2.gz URBFJKRBWZRXAH-UHFFFAOYSA-N 1 1 373.504 4.313 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)s1 ZINC000511525950 1089521686 /nfs/dbraw/zinc/52/16/86/1089521686.db2.gz XIXCWMFIZJSALL-UHFFFAOYSA-N 1 1 354.454 4.214 20 30 FIEDMO Cc1nn2c(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000425368991 1089608402 /nfs/dbraw/zinc/60/84/02/1089608402.db2.gz YUJIBDTYVPUPCR-CYBMUJFWSA-N 1 1 353.495 4.287 20 30 FIEDMO Cc1nn2c(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000425368991 1089608417 /nfs/dbraw/zinc/60/84/17/1089608417.db2.gz YUJIBDTYVPUPCR-CYBMUJFWSA-N 1 1 353.495 4.287 20 30 FIEDMO Cc1nn2c(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000425368993 1089609851 /nfs/dbraw/zinc/60/98/51/1089609851.db2.gz YUJIBDTYVPUPCR-ZDUSSCGKSA-N 1 1 353.495 4.287 20 30 FIEDMO Cc1nn2c(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000425368993 1089609861 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COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000614179595 1093073663 /nfs/dbraw/zinc/07/36/63/1093073663.db2.gz SQTFILISKUQQNL-SFHVURJKSA-N 1 1 356.853 4.242 20 30 FIEDMO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000047119481 1093086245 /nfs/dbraw/zinc/08/62/45/1093086245.db2.gz QCXOHQIUKBRCNN-MSOLQXFVSA-N 1 1 361.489 4.075 20 30 FIEDMO N#CCCC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000433010244 1093097375 /nfs/dbraw/zinc/09/73/75/1093097375.db2.gz BJDNPLUDUJBZGJ-IBGZPJMESA-N 1 1 357.417 4.133 20 30 FIEDMO N#CC(CC[N@@H+]1CC[C@H](O)C12CCCC2)(c1ccccc1)c1ccccc1 ZINC000433031554 1093136151 /nfs/dbraw/zinc/13/61/51/1093136151.db2.gz OGJGQFQDHQQUFO-QFIPXVFZSA-N 1 1 360.501 4.266 20 30 FIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120474048 1093215971 /nfs/dbraw/zinc/21/59/71/1093215971.db2.gz UTKXOAUWTVWIKM-HXUWFJFHSA-N 1 1 360.461 4.451 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411486423 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364.836 4.251 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)o2)cc1 ZINC000433298795 1093554177 /nfs/dbraw/zinc/55/41/77/1093554177.db2.gz AMUBKOHHKXFUGQ-KRWDZBQOSA-N 1 1 364.836 4.251 20 30 FIEDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Br)cc1C#N ZINC001141816913 1093598411 /nfs/dbraw/zinc/59/84/11/1093598411.db2.gz PHRLWEMPIZLIOD-UHFFFAOYSA-N 1 1 372.310 4.409 20 30 FIEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Br)cc1C#N ZINC001141816913 1093598417 /nfs/dbraw/zinc/59/84/17/1093598417.db2.gz PHRLWEMPIZLIOD-UHFFFAOYSA-N 1 1 372.310 4.409 20 30 FIEDMO C=CCOc1cccc(C[NH2+]Cc2c(OC)cccc2OC(F)(F)F)c1 ZINC000512982016 1093625544 /nfs/dbraw/zinc/62/55/44/1093625544.db2.gz AHIKZYOZFOTMKP-UHFFFAOYSA-N 1 1 367.367 4.448 20 30 FIEDMO C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508819261 1093637162 /nfs/dbraw/zinc/63/71/62/1093637162.db2.gz XZCRYKPFEKGUBL-QYZOEREBSA-N 1 1 359.562 4.068 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000108723104 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Cn1c2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2nc1C1CC1 ZINC000329078612 1094731087 /nfs/dbraw/zinc/73/10/87/1094731087.db2.gz QNJBSQUPNRPBSL-KRWDZBQOSA-N 1 1 354.498 4.172 20 30 FIEDMO CC1=CC[N@@H+](CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000329088785 1094734478 /nfs/dbraw/zinc/73/44/78/1094734478.db2.gz IDJDRFHITXJBIE-UHFFFAOYSA-N 1 1 361.530 4.300 20 30 FIEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329152647 1094758694 /nfs/dbraw/zinc/75/86/94/1094758694.db2.gz TWEXNLOZFHABCD-MRXNPFEDSA-N 1 1 357.498 4.306 20 30 FIEDMO O=C(Nc1cccc(COC2CCCCC2)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329211556 1094781578 /nfs/dbraw/zinc/78/15/78/1094781578.db2.gz HEFDHUHTWCZYAR-NHCUHLMSSA-N 1 1 371.525 4.298 20 30 FIEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329217091 1094783026 /nfs/dbraw/zinc/78/30/26/1094783026.db2.gz POLCHRVKFZMCPU-OALUTQOASA-N 1 1 372.557 4.324 20 30 FIEDMO C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC(=O)N1 ZINC000329338186 1094848338 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FIEDMO Cc1ncc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)s1 ZINC000329479687 1094927852 /nfs/dbraw/zinc/92/78/52/1094927852.db2.gz QNXGPXOEGVEAAV-HNNXBMFYSA-N 1 1 358.511 4.415 20 30 FIEDMO O=C(NCc1nc2ccccc2n1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329510040 1094944631 /nfs/dbraw/zinc/94/46/31/1094944631.db2.gz JXCKSTYQWWCULW-LJQANCHMSA-N 1 1 352.482 4.235 20 30 FIEDMO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000329546489 1094963546 /nfs/dbraw/zinc/96/35/46/1094963546.db2.gz DKYRWEPIOWQQGC-NXWNEQKCSA-N 1 1 369.509 4.339 20 30 FIEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C3(C4CC4)CCOCC3)c2)C[C@H](C)O1 ZINC000329646211 1095052135 /nfs/dbraw/zinc/05/21/35/1095052135.db2.gz ZRPYDDJVHMFPNM-IRXDYDNUSA-N 1 1 372.509 4.091 20 30 FIEDMO COc1ccc(C[N@H+]2CCSC3(CCC3)CC2)cc1OCCCC#N ZINC000414477847 1095162471 /nfs/dbraw/zinc/16/24/71/1095162471.db2.gz NGYODDCKXHOUPM-UHFFFAOYSA-N 1 1 360.523 4.239 20 30 FIEDMO C=CC[N@@H+](CCOCC(F)(F)F)Cc1cc(Br)ccc1F ZINC000502196593 1095216874 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C=CCCCN(C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667610947 1112254580 /nfs/dbraw/zinc/25/45/80/1112254580.db2.gz XDGFMQIOSDOBHG-UHFFFAOYSA-N 1 1 358.511 4.320 20 30 FIEDMO COc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1OCCCC#N ZINC000898515519 1112287675 /nfs/dbraw/zinc/28/76/75/1112287675.db2.gz AUODRKSPUJQKKR-UXHICEINSA-N 1 1 372.509 4.016 20 30 FIEDMO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc2Cl)cc1 ZINC000480361919 1112401730 /nfs/dbraw/zinc/40/17/30/1112401730.db2.gz MDHQKTGSVZNQRX-OAQYLSRUSA-N 1 1 365.864 4.438 20 30 FIEDMO Cc1sc(C[NH2+]Cc2cc(C#N)n(C)c2)nc1-c1ccc(Cl)cc1 ZINC000480396250 1112412191 /nfs/dbraw/zinc/41/21/91/1112412191.db2.gz MTYCOAYXGFSLOM-UHFFFAOYSA-N 1 1 356.882 4.272 20 30 FIEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732739 1112470611 /nfs/dbraw/zinc/47/06/11/1112470611.db2.gz OLWCEDZUEXOKDI-DLBZAZTESA-N 1 1 362.811 4.051 20 30 FIEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732739 1112470614 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ZINC000483121247 1113443149 /nfs/dbraw/zinc/44/31/49/1113443149.db2.gz AHTZWWRMVDKUPH-OAHLLOKOSA-N 1 1 367.880 4.418 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(C)(C)CCC#N ZINC000160749054 1113443499 /nfs/dbraw/zinc/44/34/99/1113443499.db2.gz NJWBMYDBGNVAOX-UHFFFAOYSA-N 1 1 355.404 4.084 20 30 FIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027207871 1113546312 /nfs/dbraw/zinc/54/63/12/1113546312.db2.gz UYRFLUQAWZPRRH-FQEVSTJZSA-N 1 1 369.468 4.159 20 30 FIEDMO C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486439588 1113568312 /nfs/dbraw/zinc/56/83/12/1113568312.db2.gz ZSHFGABOEXQQEG-LJQANCHMSA-N 1 1 366.530 4.311 20 30 FIEDMO C[C@@H](c1cccc(NCc2ccccc2C(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000486466555 1113573864 /nfs/dbraw/zinc/57/38/64/1113573864.db2.gz YNJIJKZQNKGDLT-SFHVURJKSA-N 1 1 363.505 4.493 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)c(F)c1 ZINC000486796258 1113647952 /nfs/dbraw/zinc/64/79/52/1113647952.db2.gz AXUNIWGWGRDIJL-OAHLLOKOSA-N 1 1 363.255 4.396 20 30 FIEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486832949 1113655662 /nfs/dbraw/zinc/65/56/62/1113655662.db2.gz JNBPWEOMAKJJKY-XMSQKQJNSA-N 1 1 364.493 4.420 20 30 FIEDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000488749377 1113989175 /nfs/dbraw/zinc/98/91/75/1113989175.db2.gz LZMLEKLJLOYGPC-HXUWFJFHSA-N 1 1 374.444 4.126 20 30 FIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000488749377 1113989178 /nfs/dbraw/zinc/98/91/78/1113989178.db2.gz LZMLEKLJLOYGPC-HXUWFJFHSA-N 1 1 374.444 4.126 20 30 FIEDMO C=CCn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1-c1ccccc1C ZINC000488881558 1114009107 /nfs/dbraw/zinc/00/91/07/1114009107.db2.gz PANREVGUGJIGCR-QGZVFWFLSA-N 1 1 356.539 4.406 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028895991 1114088098 /nfs/dbraw/zinc/08/80/98/1114088098.db2.gz TVOBRZMHQWAFGX-WDEREUQCSA-N 1 1 363.795 4.168 20 30 FIEDMO CCn1c2cccc(F)c2nc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000489617104 1114139420 /nfs/dbraw/zinc/13/94/20/1114139420.db2.gz AQBDJTPLFYLCSR-UHFFFAOYSA-N 1 1 350.441 4.478 20 30 FIEDMO CCn1c2cccc(F)c2nc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000489617104 1114139422 /nfs/dbraw/zinc/13/94/22/1114139422.db2.gz AQBDJTPLFYLCSR-UHFFFAOYSA-N 1 1 350.441 4.478 20 30 FIEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000489773335 1114170290 /nfs/dbraw/zinc/17/02/90/1114170290.db2.gz UTUUCJJIHNSJNZ-GHTZIAJQSA-N 1 1 355.526 4.210 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489901472 1114184832 /nfs/dbraw/zinc/18/48/32/1114184832.db2.gz QYJIIKGAUOVGER-XJKSGUPXSA-N 1 1 362.399 4.251 20 30 FIEDMO CCC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490066973 1114212500 /nfs/dbraw/zinc/21/25/00/1114212500.db2.gz MUBYOIRRWGZKNS-KRWDZBQOSA-N 1 1 365.477 4.115 20 30 FIEDMO CCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490066973 1114212501 /nfs/dbraw/zinc/21/25/01/1114212501.db2.gz MUBYOIRRWGZKNS-KRWDZBQOSA-N 1 1 365.477 4.115 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000490435349 1114290677 /nfs/dbraw/zinc/29/06/77/1114290677.db2.gz JEAPXDBWABNGNT-LIRRHRJNSA-N 1 1 371.278 4.455 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000490435349 1114290679 /nfs/dbraw/zinc/29/06/79/1114290679.db2.gz JEAPXDBWABNGNT-LIRRHRJNSA-N 1 1 371.278 4.455 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc(Br)c1 ZINC000913117009 1114300147 /nfs/dbraw/zinc/30/01/47/1114300147.db2.gz TYKQTYMIDCKVNX-MRXNPFEDSA-N 1 1 352.297 4.232 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000586778949 1114391999 /nfs/dbraw/zinc/39/19/99/1114391999.db2.gz JDVZROQZTPBTFX-ZLNRFVROSA-N 1 1 360.501 4.492 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783352 1114392631 /nfs/dbraw/zinc/39/26/31/1114392631.db2.gz JCACMHZEFJSPJB-INIZCTEOSA-N 1 1 357.523 4.143 20 30 FIEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000571113255 1114435766 /nfs/dbraw/zinc/43/57/66/1114435766.db2.gz CMMBXXWKANPJOK-MRXNPFEDSA-N 1 1 364.415 4.430 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1)C1CC1 ZINC000587988676 1114507646 /nfs/dbraw/zinc/50/76/46/1114507646.db2.gz FCBHUSFXPJOQAI-IBGZPJMESA-N 1 1 372.472 4.048 20 30 FIEDMO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc3ccccc3n2C)cc1)C1CC1 ZINC000587988676 1114507650 /nfs/dbraw/zinc/50/76/50/1114507650.db2.gz FCBHUSFXPJOQAI-IBGZPJMESA-N 1 1 372.472 4.048 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc3ccccc3n2C)cc1)C1CC1 ZINC000587988676 1114507652 /nfs/dbraw/zinc/50/76/52/1114507652.db2.gz FCBHUSFXPJOQAI-IBGZPJMESA-N 1 1 372.472 4.048 20 30 FIEDMO CO[C@@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000588979053 1114684528 /nfs/dbraw/zinc/68/45/28/1114684528.db2.gz ZEGWUFXEYGKXAW-FQEVSTJZSA-N 1 1 358.869 4.048 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000589739465 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CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594077 1122302077 /nfs/dbraw/zinc/30/20/77/1122302077.db2.gz PJBVTNYZLFQFSG-MSOLQXFVSA-N 1 1 361.489 4.309 20 30 FIEDMO CCOc1ccc(O)c(/C=N\C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000917559207 1122353232 /nfs/dbraw/zinc/35/32/32/1122353232.db2.gz IFSQUZCJWXLLDS-CFRMEGHHSA-N 1 1 374.431 4.153 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c(F)c1 ZINC000154717195 1122631681 /nfs/dbraw/zinc/63/16/81/1122631681.db2.gz XJAXESVTVARDOY-NRFANRHFSA-N 1 1 366.461 4.495 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c(F)c1 ZINC000154717195 1122631683 /nfs/dbraw/zinc/63/16/83/1122631683.db2.gz XJAXESVTVARDOY-NRFANRHFSA-N 1 1 366.461 4.495 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000072684770 1123122982 /nfs/dbraw/zinc/12/29/82/1123122982.db2.gz SNQSKTPCTYWVPO-SFHVURJKSA-N 1 1 361.536 4.275 20 30 FIEDMO CC(C)CC[N@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072692142 1123124563 /nfs/dbraw/zinc/12/45/63/1123124563.db2.gz FKIRFEFDDRZGBH-UHFFFAOYSA-N 1 1 356.426 4.054 20 30 FIEDMO CC(C)CC[N@@H+](CCC#N)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072692142 1123124566 /nfs/dbraw/zinc/12/45/66/1123124566.db2.gz FKIRFEFDDRZGBH-UHFFFAOYSA-N 1 1 356.426 4.054 20 30 FIEDMO C=CCC[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000556877373 1123149078 /nfs/dbraw/zinc/14/90/78/1123149078.db2.gz IBWYMUAYGXVNOH-LEWJYISDSA-N 1 1 354.494 4.168 20 30 FIEDMO C=CCC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccco1 ZINC000556877373 1123149080 /nfs/dbraw/zinc/14/90/80/1123149080.db2.gz IBWYMUAYGXVNOH-LEWJYISDSA-N 1 1 354.494 4.168 20 30 FIEDMO CCC1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000920088958 1123338403 /nfs/dbraw/zinc/33/84/03/1123338403.db2.gz DFYRZHJQBQIFSF-VMWRSERWSA-N 1 1 362.477 4.124 20 30 FIEDMO C[NH+]1CCN(c2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2Cl)CC1 ZINC001212256692 1123677139 /nfs/dbraw/zinc/67/71/39/1123677139.db2.gz XKMRHCLNMGBBDS-UHFFFAOYSA-N 1 1 366.896 4.391 20 30 FIEDMO C=CCNC(=O)C[N@@H+](CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348668 1123706249 /nfs/dbraw/zinc/70/62/49/1123706249.db2.gz OFAZXUKECKIODY-UHFFFAOYSA-N 1 1 366.383 4.090 20 30 FIEDMO C=CCNC(=O)C[N@H+](CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348668 1123706253 /nfs/dbraw/zinc/70/62/53/1123706253.db2.gz OFAZXUKECKIODY-UHFFFAOYSA-N 1 1 366.383 4.090 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000609540165 1123747694 /nfs/dbraw/zinc/74/76/94/1123747694.db2.gz RUFKATULSVDFRJ-MOPGFXCFSA-N 1 1 365.477 4.021 20 30 FIEDMO CC[N@@H+]1CCCC[C@@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000609544522 1123749267 /nfs/dbraw/zinc/74/92/67/1123749267.db2.gz ZYRAPIYATLSNJW-JOCHJYFZSA-N 1 1 363.505 4.101 20 30 FIEDMO CC[N@H+]1CCCC[C@@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000609544522 1123749271 /nfs/dbraw/zinc/74/92/71/1123749271.db2.gz ZYRAPIYATLSNJW-JOCHJYFZSA-N 1 1 363.505 4.101 20 30 FIEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000609631921 1123783248 /nfs/dbraw/zinc/78/32/48/1123783248.db2.gz NHPXSOQAOPDTOS-HNNXBMFYSA-N 1 1 359.539 4.195 20 30 FIEDMO C=C(C)COc1cc(C[NH2+]Cc2ccc(CN(C)C)c(F)c2)ccc1OC ZINC000136063651 1123832747 /nfs/dbraw/zinc/83/27/47/1123832747.db2.gz CKWCQKGKXRFUCB-UHFFFAOYSA-N 1 1 372.484 4.141 20 30 FIEDMO COc1ccc(Cl)cc1CN1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822956 1123850679 /nfs/dbraw/zinc/85/06/79/1123850679.db2.gz ZNMKKJKVBCJYFU-MRXNPFEDSA-N 1 1 369.896 4.099 20 30 FIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000610079659 1123934467 /nfs/dbraw/zinc/93/44/67/1123934467.db2.gz YWZWMDFFWZSZQP-WIYYLYMNSA-N 1 1 368.477 4.071 20 30 FIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000610079656 1123934533 /nfs/dbraw/zinc/93/45/33/1123934533.db2.gz YWZWMDFFWZSZQP-GHTZIAJQSA-N 1 1 368.477 4.071 20 30 FIEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000610091442 1123937532 /nfs/dbraw/zinc/93/75/32/1123937532.db2.gz XEMBRDDXYPONEO-FXAWDEMLSA-N 1 1 355.526 4.451 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000610132349 1123949411 /nfs/dbraw/zinc/94/94/11/1123949411.db2.gz XNLTVVBPGBZGML-UHFFFAOYSA-N 1 1 365.260 4.384 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000610132624 1123949572 /nfs/dbraw/zinc/94/95/72/1123949572.db2.gz OCORIQKXGHABSZ-FQEVSTJZSA-N 1 1 350.462 4.043 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000610132788 1123949583 /nfs/dbraw/zinc/94/95/83/1123949583.db2.gz HMSUMUYYRKBEAH-FQEVSTJZSA-N 1 1 350.462 4.043 20 30 FIEDMO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CCC1 ZINC000610134128 1123950083 /nfs/dbraw/zinc/95/00/83/1123950083.db2.gz JCVPEWVUOFACCM-SFHVURJKSA-N 1 1 361.489 4.038 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)cc1 ZINC000237591928 1123990364 /nfs/dbraw/zinc/99/03/64/1123990364.db2.gz WKRQQHYBRQQDBX-LJQANCHMSA-N 1 1 355.526 4.256 20 30 FIEDMO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cc(F)ccc1F ZINC000179787206 1124073883 /nfs/dbraw/zinc/07/38/83/1124073883.db2.gz WJBQNKVFZHRFIU-MRXNPFEDSA-N 1 1 363.795 4.169 20 30 FIEDMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237791928 1124079836 /nfs/dbraw/zinc/07/98/36/1124079836.db2.gz GNSDEMPLXXQCQN-UHFFFAOYSA-N 1 1 370.378 4.068 20 30 FIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000179796633 1124081519 /nfs/dbraw/zinc/08/15/19/1124081519.db2.gz QJLCELAJCDXQFL-MGPUTAFESA-N 1 1 371.431 4.341 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(Cl)s1 ZINC000081645539 1124112307 /nfs/dbraw/zinc/11/23/07/1124112307.db2.gz IVLKLQOKJOXCQU-UHFFFAOYSA-N 1 1 367.877 4.140 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccccc2)O1 ZINC000245570119 1124124152 /nfs/dbraw/zinc/12/41/52/1124124152.db2.gz WSVDYVRHTWQEMW-AVRDEDQJSA-N 1 1 350.462 4.331 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccccc2)O1 ZINC000245570119 1124124153 /nfs/dbraw/zinc/12/41/53/1124124153.db2.gz WSVDYVRHTWQEMW-AVRDEDQJSA-N 1 1 350.462 4.331 20 30 FIEDMO CC#CCCNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000542731270 1124169605 /nfs/dbraw/zinc/16/96/05/1124169605.db2.gz LHEFYQRFLITLDQ-NRFANRHFSA-N 1 1 371.525 4.001 20 30 FIEDMO N#Cc1ccc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000301064162 1124187856 /nfs/dbraw/zinc/18/78/56/1124187856.db2.gz CBWIFXBNFVHLLL-IBGZPJMESA-N 1 1 360.486 4.226 20 30 FIEDMO N#Cc1cc(F)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000301237752 1124205866 /nfs/dbraw/zinc/20/58/66/1124205866.db2.gz IMMMIRKBHINYFK-AYHJJNSGSA-N 1 1 353.416 4.444 20 30 FIEDMO N#CCC[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)CC1CC1 ZINC000180058175 1124206006 /nfs/dbraw/zinc/20/60/06/1124206006.db2.gz ZBPQJQPUZLLMII-UHFFFAOYSA-N 1 1 359.214 4.176 20 30 FIEDMO N#CCC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)CC1CC1 ZINC000180058175 1124206011 /nfs/dbraw/zinc/20/60/11/1124206011.db2.gz ZBPQJQPUZLLMII-UHFFFAOYSA-N 1 1 359.214 4.176 20 30 FIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301288855 1124210536 /nfs/dbraw/zinc/21/05/36/1124210536.db2.gz MTLZWKAXZGGUCY-UHFFFAOYSA-N 1 1 362.399 4.424 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301304119 1124214679 /nfs/dbraw/zinc/21/46/79/1124214679.db2.gz XBWBIUQWHOWLDM-VQIMIIECSA-N 1 1 374.410 4.467 20 30 FIEDMO N#Cc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2n1 ZINC000301408465 1124227614 /nfs/dbraw/zinc/22/76/14/1124227614.db2.gz NJYUOVXOENZYHU-LJQANCHMSA-N 1 1 356.473 4.083 20 30 FIEDMO Cc1ccc(CNc2ccc(C#N)cc2Br)c(N2CCCC2)[nH+]1 ZINC000302035130 1124279159 /nfs/dbraw/zinc/27/91/59/1124279159.db2.gz FDOMDQNMAOJDOB-UHFFFAOYSA-N 1 1 371.282 4.237 20 30 FIEDMO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302053275 1124281124 /nfs/dbraw/zinc/28/11/24/1124281124.db2.gz PFHTXSWRVZMUQL-TZMCWYRMSA-N 1 1 352.404 4.037 20 30 FIEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000302810430 1124354630 /nfs/dbraw/zinc/35/46/30/1124354630.db2.gz YQLKWDBBSACAFS-MRXNPFEDSA-N 1 1 360.436 4.129 20 30 FIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742458 1124402452 /nfs/dbraw/zinc/40/24/52/1124402452.db2.gz IBPAXTHGAWSROV-YWZLYKJASA-N 1 1 374.444 4.200 20 30 FIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742458 1124402457 /nfs/dbraw/zinc/40/24/57/1124402457.db2.gz IBPAXTHGAWSROV-YWZLYKJASA-N 1 1 374.444 4.200 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000617210291 1124485429 /nfs/dbraw/zinc/48/54/29/1124485429.db2.gz PYYPRKLDLLMTGF-SFHVURJKSA-N 1 1 357.251 4.363 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000617210291 1124485432 /nfs/dbraw/zinc/48/54/32/1124485432.db2.gz PYYPRKLDLLMTGF-SFHVURJKSA-N 1 1 357.251 4.363 20 30 FIEDMO N#CCC1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000404898685 1124497926 /nfs/dbraw/zinc/49/79/26/1124497926.db2.gz BRXBSJMXBKNOGN-UHFFFAOYSA-N 1 1 374.653 4.070 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCCC1 ZINC000109423712 1124566414 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YZXYGTBNJWRFHI-RDTXWAMCSA-N 1 1 362.433 4.483 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC000076120208 1124960783 /nfs/dbraw/zinc/96/07/83/1124960783.db2.gz YZXYGTBNJWRFHI-RDTXWAMCSA-N 1 1 362.433 4.483 20 30 FIEDMO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181518310 1124993257 /nfs/dbraw/zinc/99/32/57/1124993257.db2.gz JHYUAHULFCNAAR-GOSISDBHSA-N 1 1 351.494 4.130 20 30 FIEDMO COc1ccc(F)cc1[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181527557 1125000100 /nfs/dbraw/zinc/00/01/00/1125000100.db2.gz RMTJDJFSVVVIBZ-INIZCTEOSA-N 1 1 367.468 4.021 20 30 FIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091080583 1125039552 /nfs/dbraw/zinc/03/95/52/1125039552.db2.gz IGDMVZJUELIFKD-KRWDZBQOSA-N 1 1 363.383 4.114 20 30 FIEDMO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000670215999 1125094947 /nfs/dbraw/zinc/09/49/47/1125094947.db2.gz RVMXXSVEQZVHQI-FQEVSTJZSA-N 1 1 373.589 4.145 20 30 FIEDMO C[C@@H](NC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000181784295 1125135351 /nfs/dbraw/zinc/13/53/51/1125135351.db2.gz MYCJYQZPHFEOQV-RTBURBONSA-N 1 1 363.505 4.109 20 30 FIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113264951 1125136883 /nfs/dbraw/zinc/13/68/83/1125136883.db2.gz QFAQCLZETDVKAY-HXUWFJFHSA-N 1 1 353.491 4.002 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000618337579 1125145669 /nfs/dbraw/zinc/14/56/69/1125145669.db2.gz HZPCHZDPJHLYJD-OAQYLSRUSA-N 1 1 366.505 4.138 20 30 FIEDMO C[C@H]1[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000312026799 1125258757 /nfs/dbraw/zinc/25/87/57/1125258757.db2.gz XSJWJODRLYIWIZ-BBRMVZONSA-N 1 1 360.383 4.047 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805608 1125284635 /nfs/dbraw/zinc/28/46/35/1125284635.db2.gz IWGRLOHWTZRJFL-JTOYRKQZSA-N 1 1 357.501 4.331 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805608 1125284639 /nfs/dbraw/zinc/28/46/39/1125284639.db2.gz IWGRLOHWTZRJFL-JTOYRKQZSA-N 1 1 357.501 4.331 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000618805608 1125284643 /nfs/dbraw/zinc/28/46/43/1125284643.db2.gz IWGRLOHWTZRJFL-JTOYRKQZSA-N 1 1 357.501 4.331 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499617937 1125307324 /nfs/dbraw/zinc/30/73/24/1125307324.db2.gz GRQZBIDFMXKYKU-SQNIBIBYSA-N 1 1 366.427 4.060 20 30 FIEDMO Cc1cccc2c1ncc(C#N)c2N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000618980851 1125402869 /nfs/dbraw/zinc/40/28/69/1125402869.db2.gz BADGSHQEPYXMIY-UHFFFAOYSA-N 1 1 371.488 4.332 20 30 FIEDMO N#Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2n1 ZINC000618980878 1125403254 /nfs/dbraw/zinc/40/32/54/1125403254.db2.gz VGVHZYJKTDTFEZ-UHFFFAOYSA-N 1 1 357.461 4.023 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000071954845 221390421 /nfs/dbraw/zinc/39/04/21/221390421.db2.gz XJFXOKNHWNRJDA-INIZCTEOSA-N 1 1 364.449 4.310 20 30 FIEDMO COc1ccc(-n2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)n2)cc1 ZINC000481656990 568081913 /nfs/dbraw/zinc/08/19/13/568081913.db2.gz MALLHSFUOLCENK-HSZRJFAPSA-N 1 1 372.472 4.310 20 30 FIEDMO CC[C@H](C[N@@H+](CC)CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000481746716 568108263 /nfs/dbraw/zinc/10/82/63/568108263.db2.gz SXWSEEUAELQVLZ-MRXNPFEDSA-N 1 1 355.507 4.464 20 30 FIEDMO COc1cc(Cl)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000481761712 568114439 /nfs/dbraw/zinc/11/44/39/568114439.db2.gz QTSYXRIDNBLKIH-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+](C1CC1)C1CCCCC1)c1cccc(Cl)c1 ZINC000603683172 568135133 /nfs/dbraw/zinc/13/51/33/568135133.db2.gz SQLQMANKMDCAKX-UHFFFAOYSA-N 1 1 359.901 4.384 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000603853525 568167209 /nfs/dbraw/zinc/16/72/09/568167209.db2.gz BGQJMMYRTJPLAF-UGKGYDQZSA-N 1 1 355.526 4.175 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080201 568208787 /nfs/dbraw/zinc/20/87/87/568208787.db2.gz BLVZPMJBTBBFED-LJQANCHMSA-N 1 1 369.534 4.110 20 30 FIEDMO C=CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)Cc1cccc(C#N)c1 ZINC000604487259 568298338 /nfs/dbraw/zinc/29/83/38/568298338.db2.gz XGTCFCLFBYHXRX-UHFFFAOYSA-N 1 1 359.429 4.410 20 30 FIEDMO C=CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)Cc1cccc(C#N)c1 ZINC000604487259 568298339 /nfs/dbraw/zinc/29/83/39/568298339.db2.gz XGTCFCLFBYHXRX-UHFFFAOYSA-N 1 1 359.429 4.410 20 30 FIEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000365229832 568342800 /nfs/dbraw/zinc/34/28/00/568342800.db2.gz JUSLKDWPYCVFDO-LPHOPBHVSA-N 1 1 366.427 4.008 20 30 FIEDMO N#Cc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2ccccc12 ZINC001164627944 719097240 /nfs/dbraw/zinc/09/72/40/719097240.db2.gz LHOQZIORTNOCGN-CVDCTZTESA-N 1 1 368.484 4.207 20 30 FIEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633359 1125471319 /nfs/dbraw/zinc/47/13/19/1125471319.db2.gz ULMUIUHEQKCTBR-DLBZAZTESA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633359 1125471322 /nfs/dbraw/zinc/47/13/22/1125471322.db2.gz ULMUIUHEQKCTBR-DLBZAZTESA-N 1 1 352.400 4.019 20 30 FIEDMO C=C(Br)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182562652 1125558771 /nfs/dbraw/zinc/55/87/71/1125558771.db2.gz SVKLAAZBSFWYSP-CQSZACIVSA-N 1 1 359.267 4.498 20 30 FIEDMO COc1cc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000619674407 1125652030 /nfs/dbraw/zinc/65/20/30/1125652030.db2.gz HRZSIQKPABKTKQ-IFMALSPDSA-N 1 1 350.462 4.167 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000572563348 1125691295 /nfs/dbraw/zinc/69/12/95/1125691295.db2.gz VVOYGSFNVUXIGP-UHFFFAOYSA-N 1 1 351.450 4.049 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000572563348 1125691300 /nfs/dbraw/zinc/69/13/00/1125691300.db2.gz VVOYGSFNVUXIGP-UHFFFAOYSA-N 1 1 351.450 4.049 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC[C@@H](C#N)CCC#N)cc1)C[C@H]1CCCCO1 ZINC000579704834 1079561765 /nfs/dbraw/zinc/56/17/65/1079561765.db2.gz GGJXBAHTXKOSNZ-IFMALSPDSA-N 1 1 368.525 4.322 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000120195244 1079750951 /nfs/dbraw/zinc/75/09/51/1079750951.db2.gz NLXRLBRFPVUXTF-JKSUJKDBSA-N 1 1 373.460 4.174 20 30 FIEDMO FC(F)(F)[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC12CCC2 ZINC000579862971 1080186380 /nfs/dbraw/zinc/18/63/80/1080186380.db2.gz ZBXHVMIIGAVNGQ-SNVBAGLBSA-N 1 1 369.296 4.255 20 30 FIEDMO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208860276 1080191575 /nfs/dbraw/zinc/19/15/75/1080191575.db2.gz JDMATKVGYCDMJO-XLIONFOSSA-N 1 1 371.525 4.116 20 30 FIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC001648789313 1080199911 /nfs/dbraw/zinc/19/99/11/1080199911.db2.gz FXNKQGVGHRBBFG-UHFFFAOYSA-N 1 1 370.880 4.358 20 30 FIEDMO CO[C@@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000625209921 1080496894 /nfs/dbraw/zinc/49/68/94/1080496894.db2.gz UWJLDLWNYGXJTQ-XQQFMLRXSA-N 1 1 359.285 4.186 20 30 FIEDMO CO[C@@H](C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000625209921 1080496898 /nfs/dbraw/zinc/49/68/98/1080496898.db2.gz UWJLDLWNYGXJTQ-XQQFMLRXSA-N 1 1 359.285 4.186 20 30 FIEDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001167240694 1080897394 /nfs/dbraw/zinc/89/73/94/1080897394.db2.gz KJQBXXWTGMZCJO-UHFFFAOYSA-N 1 1 365.477 4.054 20 30 FIEDMO C=C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000625286627 1081073437 /nfs/dbraw/zinc/07/34/37/1081073437.db2.gz JHSZFYAPKKRICJ-WOJBJXKFSA-N 1 1 366.530 4.142 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@H+](CCCC)Cc2ccccc2F)cc1 ZINC001167294243 1081121839 /nfs/dbraw/zinc/12/18/39/1081121839.db2.gz KBRSGRQAPUVOGP-UHFFFAOYSA-N 1 1 352.453 4.438 20 30 FIEDMO C=CC[C@@H]1N(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CCCC1(C)C ZINC000683577503 1081146226 /nfs/dbraw/zinc/14/62/26/1081146226.db2.gz KNYBHQICWVNPKX-IBGZPJMESA-N 1 1 370.541 4.267 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000177255888 1081199870 /nfs/dbraw/zinc/19/98/70/1081199870.db2.gz UAPKGCLKAMARQJ-AWEZNQCLSA-N 1 1 371.506 4.267 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000177255888 1081199873 /nfs/dbraw/zinc/19/98/73/1081199873.db2.gz UAPKGCLKAMARQJ-AWEZNQCLSA-N 1 1 371.506 4.267 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337036 1081470031 /nfs/dbraw/zinc/47/00/31/1081470031.db2.gz FJKLIGRZMFTYFV-UHFFFAOYSA-N 1 1 361.489 4.374 20 30 FIEDMO C=CCOc1ccc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)cc1 ZINC000656036863 1081485238 /nfs/dbraw/zinc/48/52/38/1081485238.db2.gz KVLDGUXGUPQSOF-UHFFFAOYSA-N 1 1 352.438 4.138 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC001167340809 1081486111 /nfs/dbraw/zinc/48/61/11/1081486111.db2.gz CTMDDZLSGWBILF-IBGZPJMESA-N 1 1 353.510 4.368 20 30 FIEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000063582709 1081525246 /nfs/dbraw/zinc/52/52/46/1081525246.db2.gz LXSBRAKYEHSXLP-UHFFFAOYSA-N 1 1 357.841 4.283 20 30 FIEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000728288029 1081747109 /nfs/dbraw/zinc/74/71/09/1081747109.db2.gz VHSSHTIQZFHNSO-CQSZACIVSA-N 1 1 360.379 4.318 20 30 FIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000728288029 1081747114 /nfs/dbraw/zinc/74/71/14/1081747114.db2.gz VHSSHTIQZFHNSO-CQSZACIVSA-N 1 1 360.379 4.318 20 30 FIEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000579656050 1081963882 /nfs/dbraw/zinc/96/38/82/1081963882.db2.gz VMNXBKJNWGQDEH-UHFFFAOYSA-N 1 1 351.416 4.027 20 30 FIEDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccccc1-c1ccccc1C#N ZINC000548125714 1082075924 /nfs/dbraw/zinc/07/59/24/1082075924.db2.gz KDNUJHPFGXDEND-IBGZPJMESA-N 1 1 361.489 4.172 20 30 FIEDMO Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)c1 ZINC001167457905 1082524272 /nfs/dbraw/zinc/52/42/72/1082524272.db2.gz NBTKYUMKNKDCJD-FGZHOGPDSA-N 1 1 364.489 4.224 20 30 FIEDMO COc1cc(F)c(F)cc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001143394577 1082618194 /nfs/dbraw/zinc/61/81/94/1082618194.db2.gz IBBGNUIDSWHLCK-UHFFFAOYSA-N 1 1 356.416 4.300 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c(C(F)(F)F)c1 ZINC000581494333 1082620681 /nfs/dbraw/zinc/62/06/81/1082620681.db2.gz IMKHKXZHGZMSRY-HXUWFJFHSA-N 1 1 374.406 4.449 20 30 FIEDMO COc1cc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc(Cl)c1O ZINC000255327694 1082687103 /nfs/dbraw/zinc/68/71/03/1082687103.db2.gz ZNIFNKUPFWPWRB-BAQGIRSFSA-N 1 1 368.820 4.444 20 30 FIEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001266812589 1082858877 /nfs/dbraw/zinc/85/88/77/1082858877.db2.gz QHSZETJRRSJNTK-WTANOLMUSA-N 1 1 352.881 4.190 20 30 FIEDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187469127 1082982517 /nfs/dbraw/zinc/98/25/17/1082982517.db2.gz TUUYDRRPDAPLNK-UHFFFAOYSA-N 1 1 361.917 4.072 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000477663965 1083060867 /nfs/dbraw/zinc/06/08/67/1083060867.db2.gz PTZBZHNLHVNCKK-KRWDZBQOSA-N 1 1 354.475 4.126 20 30 FIEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)ccc1Br ZINC000430781084 1083172510 /nfs/dbraw/zinc/17/25/10/1083172510.db2.gz RSZDUAWDFPUXKC-GOSISDBHSA-N 1 1 358.283 4.305 20 30 FIEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)ccc1Br ZINC000430781084 1083172518 /nfs/dbraw/zinc/17/25/18/1083172518.db2.gz RSZDUAWDFPUXKC-GOSISDBHSA-N 1 1 358.283 4.305 20 30 FIEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000158019090 1083248293 /nfs/dbraw/zinc/24/82/93/1083248293.db2.gz SJXAVBGHXDXLEP-UHFFFAOYSA-N 1 1 361.445 4.286 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[N@H+](C)C1 ZINC000328987931 1083281738 /nfs/dbraw/zinc/28/17/38/1083281738.db2.gz CFPANYZXBKOVIZ-ROUUACIJSA-N 1 1 359.470 4.162 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[N@@H+](C)C1 ZINC000328987931 1083281739 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C[C@@H](c1ccc(F)cc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000511686105 1091540702 /nfs/dbraw/zinc/54/07/02/1091540702.db2.gz VZKQSROSIVXYIO-INIZCTEOSA-N 1 1 355.432 4.105 20 30 FIEDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000432021332 1091561768 /nfs/dbraw/zinc/56/17/68/1091561768.db2.gz TUWJVZQMRAMVLI-UHFFFAOYSA-N 1 1 357.404 4.076 20 30 FIEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000432021332 1091561777 /nfs/dbraw/zinc/56/17/77/1091561777.db2.gz TUWJVZQMRAMVLI-UHFFFAOYSA-N 1 1 357.404 4.076 20 30 FIEDMO Clc1cccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511757283 1091621918 /nfs/dbraw/zinc/62/19/18/1091621918.db2.gz OJEGURQZDJSTPE-FSSWDIPSSA-N 1 1 351.877 4.196 20 30 FIEDMO COc1cc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC001143511823 1091633688 /nfs/dbraw/zinc/63/36/88/1091633688.db2.gz MJYQUTKCMVMTKB-ZWNOBZJWSA-N 1 1 359.285 4.294 20 30 FIEDMO COc1cc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc(C(F)(F)F)c1 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N#CC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCCCC1 ZINC000521339132 1092644588 /nfs/dbraw/zinc/64/45/88/1092644588.db2.gz NIYSRKBTMBFQBL-IBGZPJMESA-N 1 1 373.928 4.285 20 30 FIEDMO N#CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCCCC1 ZINC000521339132 1092644595 /nfs/dbraw/zinc/64/45/95/1092644595.db2.gz NIYSRKBTMBFQBL-IBGZPJMESA-N 1 1 373.928 4.285 20 30 FIEDMO COc1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)ccc1C#N ZINC000442803275 1092775814 /nfs/dbraw/zinc/77/58/14/1092775814.db2.gz SGVJCLLSUJFCAP-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO N#CCCC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000521621423 1092790694 /nfs/dbraw/zinc/79/06/94/1092790694.db2.gz XRZUADJARHWCTG-QFIPXVFZSA-N 1 1 359.322 4.117 20 30 FIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000442882712 1092838207 /nfs/dbraw/zinc/83/82/07/1092838207.db2.gz SCLSAUUTKCSPOM-UHFFFAOYSA-N 1 1 357.417 4.112 20 30 FIEDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000442882712 1092838211 /nfs/dbraw/zinc/83/82/11/1092838211.db2.gz SCLSAUUTKCSPOM-UHFFFAOYSA-N 1 1 357.417 4.112 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901713 1092855238 /nfs/dbraw/zinc/85/52/38/1092855238.db2.gz OUROYDCJHBTCJW-AUUYWEPGSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000442901713 1092855247 /nfs/dbraw/zinc/85/52/47/1092855247.db2.gz OUROYDCJHBTCJW-AUUYWEPGSA-N 1 1 358.388 4.294 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nccc(C#N)c1Cl ZINC000439102582 1092922819 /nfs/dbraw/zinc/92/28/19/1092922819.db2.gz SXISPFZQUIQZBB-HNNXBMFYSA-N 1 1 354.885 4.015 20 30 FIEDMO CO[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000443069460 1092926523 /nfs/dbraw/zinc/92/65/23/1092926523.db2.gz OWXFFRUDZHVOIJ-DYESRHJHSA-N 1 1 350.462 4.137 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000521815855 1092934752 /nfs/dbraw/zinc/93/47/52/1092934752.db2.gz AWSIIKRGEXZIOU-DYESRHJHSA-N 1 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C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc(C#N)cc1F ZINC000512621239 1092998836 /nfs/dbraw/zinc/99/88/36/1092998836.db2.gz VQZRQSRBZCLWHV-OAHLLOKOSA-N 1 1 374.419 4.195 20 30 FIEDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159531 1093013951 /nfs/dbraw/zinc/01/39/51/1093013951.db2.gz DVAKHQJGIGEOEV-UHFFFAOYSA-N 1 1 367.518 4.280 20 30 FIEDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159531 1093013963 /nfs/dbraw/zinc/01/39/63/1093013963.db2.gz DVAKHQJGIGEOEV-UHFFFAOYSA-N 1 1 367.518 4.280 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000614159927 1093014385 /nfs/dbraw/zinc/01/43/85/1093014385.db2.gz XFQQVKNERNLUSI-UHFFFAOYSA-N 1 1 356.473 4.232 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000614159927 1093014406 /nfs/dbraw/zinc/01/44/06/1093014406.db2.gz XFQQVKNERNLUSI-UHFFFAOYSA-N 1 1 356.473 4.232 20 30 FIEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512653836 1093082302 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C=CCC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280783 1111658358 /nfs/dbraw/zinc/65/83/58/1111658358.db2.gz SRDXQQOACOZEAG-NHCUHLMSSA-N 1 1 354.494 4.033 20 30 FIEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCc1ccc(F)cc1 ZINC000552315046 1111674473 /nfs/dbraw/zinc/67/44/73/1111674473.db2.gz AHMVUVWZFJCFGC-UHFFFAOYSA-N 1 1 356.441 4.395 20 30 FIEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCc1ccc(F)cc1 ZINC000552315046 1111674475 /nfs/dbraw/zinc/67/44/75/1111674475.db2.gz AHMVUVWZFJCFGC-UHFFFAOYSA-N 1 1 356.441 4.395 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(Cl)cc1 ZINC000553000510 1111878772 /nfs/dbraw/zinc/87/87/72/1111878772.db2.gz KJZAQDTXYVRPHC-UHFFFAOYSA-N 1 1 352.825 4.284 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(Cl)cc1 ZINC000553000510 1111878775 /nfs/dbraw/zinc/87/87/75/1111878775.db2.gz KJZAQDTXYVRPHC-UHFFFAOYSA-N 1 1 352.825 4.284 20 30 FIEDMO CCC[N@@H+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000553243273 1111936156 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KCFRPOCVRDSNGA-RTBURBONSA-N 1 1 365.468 4.096 20 30 FIEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H](C)C1 ZINC000488737944 1113984572 /nfs/dbraw/zinc/98/45/72/1113984572.db2.gz YDRSAEFERQJVSH-GDZNZVCISA-N 1 1 372.875 4.065 20 30 FIEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000489773340 1114170055 /nfs/dbraw/zinc/17/00/55/1114170055.db2.gz UTUUCJJIHNSJNZ-WIYYLYMNSA-N 1 1 355.526 4.210 20 30 FIEDMO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490043742 1114209576 /nfs/dbraw/zinc/20/95/76/1114209576.db2.gz QGDAXIFQDFIXIR-SFHVURJKSA-N 1 1 352.453 4.225 20 30 FIEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490043742 1114209578 /nfs/dbraw/zinc/20/95/78/1114209578.db2.gz QGDAXIFQDFIXIR-SFHVURJKSA-N 1 1 352.453 4.225 20 30 FIEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490078658 1114214016 /nfs/dbraw/zinc/21/40/16/1114214016.db2.gz WGAVMPVXYNJQGX-INIZCTEOSA-N 1 1 353.441 4.245 20 30 FIEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490078658 1114214021 /nfs/dbraw/zinc/21/40/21/1114214021.db2.gz WGAVMPVXYNJQGX-INIZCTEOSA-N 1 1 353.441 4.245 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490092418 1114216928 /nfs/dbraw/zinc/21/69/28/1114216928.db2.gz NDICCKLWITWLHQ-KRWDZBQOSA-N 1 1 365.477 4.115 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490092418 1114216931 /nfs/dbraw/zinc/21/69/31/1114216931.db2.gz NDICCKLWITWLHQ-KRWDZBQOSA-N 1 1 365.477 4.115 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000490435347 1114290629 /nfs/dbraw/zinc/29/06/29/1114290629.db2.gz JEAPXDBWABNGNT-IFXJQAMLSA-N 1 1 371.278 4.455 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000490435347 1114290631 /nfs/dbraw/zinc/29/06/31/1114290631.db2.gz JEAPXDBWABNGNT-IFXJQAMLSA-N 1 1 371.278 4.455 20 30 FIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490561475 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JODQORVFQSSYSL-UYAOXDASSA-N 1 1 363.452 4.079 20 30 FIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000588672484 1114588705 /nfs/dbraw/zinc/58/87/05/1114588705.db2.gz JODQORVFQSSYSL-UYAOXDASSA-N 1 1 363.452 4.079 20 30 FIEDMO N#CCCC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000572406100 1114635346 /nfs/dbraw/zinc/63/53/46/1114635346.db2.gz CWBLWFHIJDSVMW-UHFFFAOYSA-N 1 1 373.298 4.355 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000057799512 1115007124 /nfs/dbraw/zinc/00/71/24/1115007124.db2.gz XZTWDUVSOFOKJO-UHFFFAOYSA-N 1 1 353.900 4.185 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000591845181 1115153348 /nfs/dbraw/zinc/15/33/48/1115153348.db2.gz JBVNUISRMMZHBH-NZQKXSOJSA-N 1 1 354.457 4.415 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000591845181 1115153349 /nfs/dbraw/zinc/15/33/49/1115153349.db2.gz JBVNUISRMMZHBH-NZQKXSOJSA-N 1 1 354.457 4.415 20 30 FIEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ccncc3C#N)s2)cc1 ZINC000592104247 1115201670 /nfs/dbraw/zinc/20/16/70/1115201670.db2.gz QECZJNXMANCCPL-CYBMUJFWSA-N 1 1 364.474 4.245 20 30 FIEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592153545 1115215967 /nfs/dbraw/zinc/21/59/67/1115215967.db2.gz GNTFGSHTMITICE-ZWKOTPCHSA-N 1 1 350.466 4.256 20 30 FIEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC12CC=CC2 ZINC000592528587 1115240997 /nfs/dbraw/zinc/24/09/97/1115240997.db2.gz UGJFGNFJYYCKLI-NRFANRHFSA-N 1 1 361.493 4.035 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC000058580544 1115266947 /nfs/dbraw/zinc/26/69/47/1115266947.db2.gz FBUIIIMNGYRWHI-UHFFFAOYSA-N 1 1 370.294 4.033 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC000058580544 1115266951 /nfs/dbraw/zinc/26/69/51/1115266951.db2.gz FBUIIIMNGYRWHI-UHFFFAOYSA-N 1 1 370.294 4.033 20 30 FIEDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000593047845 1115282178 /nfs/dbraw/zinc/28/21/78/1115282178.db2.gz DDMFCFJVQQSBQS-HBMCJLEFSA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000593047845 1115282180 /nfs/dbraw/zinc/28/21/80/1115282180.db2.gz DDMFCFJVQQSBQS-HBMCJLEFSA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000593047845 1115282182 /nfs/dbraw/zinc/28/21/82/1115282182.db2.gz DDMFCFJVQQSBQS-HBMCJLEFSA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000593047850 1115282336 /nfs/dbraw/zinc/28/23/36/1115282336.db2.gz DDMFCFJVQQSBQS-NJYVYQBISA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593047850 1115282338 /nfs/dbraw/zinc/28/23/38/1115282338.db2.gz DDMFCFJVQQSBQS-NJYVYQBISA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593047850 1115282340 /nfs/dbraw/zinc/28/23/40/1115282340.db2.gz DDMFCFJVQQSBQS-NJYVYQBISA-N 1 1 369.553 4.070 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)o2)c1 ZINC000574226277 1115296107 /nfs/dbraw/zinc/29/61/07/1115296107.db2.gz WPMBTWGQXCZNPO-PWRODBHTSA-N 1 1 370.456 4.376 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CCCCC2)cc1OC ZINC000574319379 1115346244 /nfs/dbraw/zinc/34/62/44/1115346244.db2.gz GUKVIFCGRSBXQZ-UHFFFAOYSA-N 1 1 367.493 4.249 20 30 FIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000593944633 1115354776 /nfs/dbraw/zinc/35/47/76/1115354776.db2.gz YLVIYHJNDIDZET-SFHVURJKSA-N 1 1 362.433 4.399 20 30 FIEDMO Cc1c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)nnn1-c1ccccc1 ZINC000594512918 1115456836 /nfs/dbraw/zinc/45/68/36/1115456836.db2.gz FJJJVKIIWUSUIB-MRXNPFEDSA-N 1 1 357.461 4.177 20 30 FIEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(OCc2cccnc2)c1 ZINC000594981760 1115505254 /nfs/dbraw/zinc/50/52/54/1115505254.db2.gz UWVXPIHZGVYGET-UHFFFAOYSA-N 1 1 365.477 4.233 20 30 FIEDMO N#Cc1csc(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)n1 ZINC000594996655 1115506063 /nfs/dbraw/zinc/50/60/63/1115506063.db2.gz UTSYQGIGHRBWLM-OAHLLOKOSA-N 1 1 362.296 4.335 20 30 FIEDMO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccco1 ZINC000574969038 1115526052 /nfs/dbraw/zinc/52/60/52/1115526052.db2.gz YZQPZYNPZPPBML-UHFFFAOYSA-N 1 1 365.399 4.124 20 30 FIEDMO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574969038 1115526055 /nfs/dbraw/zinc/52/60/55/1115526055.db2.gz YZQPZYNPZPPBML-UHFFFAOYSA-N 1 1 365.399 4.124 20 30 FIEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574969038 1115526058 /nfs/dbraw/zinc/52/60/58/1115526058.db2.gz YZQPZYNPZPPBML-UHFFFAOYSA-N 1 1 365.399 4.124 20 30 FIEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623422 1115551673 /nfs/dbraw/zinc/55/16/73/1115551673.db2.gz PBQKRJMDLLFYQN-QGZVFWFLSA-N 1 1 356.901 4.327 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616126 1115553439 /nfs/dbraw/zinc/55/34/39/1115553439.db2.gz PYYWBYYRPIMLFJ-ROUUACIJSA-N 1 1 363.461 4.432 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616126 1115553443 /nfs/dbraw/zinc/55/34/43/1115553443.db2.gz PYYWBYYRPIMLFJ-ROUUACIJSA-N 1 1 363.461 4.432 20 30 FIEDMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612425 1115554026 /nfs/dbraw/zinc/55/40/26/1115554026.db2.gz WOMSCQIIJCFCJD-QWHCGFSZSA-N 1 1 364.371 4.442 20 30 FIEDMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612425 1115554030 /nfs/dbraw/zinc/55/40/30/1115554030.db2.gz WOMSCQIIJCFCJD-QWHCGFSZSA-N 1 1 364.371 4.442 20 30 FIEDMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615763 1115554332 /nfs/dbraw/zinc/55/43/32/1115554332.db2.gz NQYSAWRDCQAVIO-WIYYLYMNSA-N 1 1 367.537 4.273 20 30 FIEDMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615763 1115554334 /nfs/dbraw/zinc/55/43/34/1115554334.db2.gz NQYSAWRDCQAVIO-WIYYLYMNSA-N 1 1 367.537 4.273 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595785805 1115563389 /nfs/dbraw/zinc/56/33/89/1115563389.db2.gz GQIBDPZZEUTTMO-CRAIPNDOSA-N 1 1 363.299 4.102 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595785805 1115563391 /nfs/dbraw/zinc/56/33/91/1115563391.db2.gz GQIBDPZZEUTTMO-CRAIPNDOSA-N 1 1 363.299 4.102 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(C(F)(F)F)c1 ZINC000595786273 1115563614 /nfs/dbraw/zinc/56/36/14/1115563614.db2.gz HIUWKGBWNTYZDV-AEFFLSMTSA-N 1 1 352.400 4.358 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595844458 1115563973 /nfs/dbraw/zinc/56/39/73/1115563973.db2.gz FJOKOGOXBMUZTB-ZACQAIPSSA-N 1 1 355.507 4.060 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595844458 1115563975 /nfs/dbraw/zinc/56/39/75/1115563975.db2.gz FJOKOGOXBMUZTB-ZACQAIPSSA-N 1 1 355.507 4.060 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3CC2(c2ccccc2)C3)c1C ZINC000595911904 1115566861 /nfs/dbraw/zinc/56/68/61/1115566861.db2.gz UIVGZKVADDQLNB-UHFFFAOYSA-N 1 1 373.500 4.171 20 30 FIEDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491205360 1115570913 /nfs/dbraw/zinc/57/09/13/1115570913.db2.gz NGNVENIZOAMTHV-FQEVSTJZSA-N 1 1 356.473 4.257 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2nc3ncccc3cc2C#N)[C@H]1c1cccs1 ZINC000596148030 1115575574 /nfs/dbraw/zinc/57/55/74/1115575574.db2.gz YKHGONPMJALJMQ-QAPCUYQASA-N 1 1 363.490 4.058 20 30 FIEDMO Cc1cc(N[C@@H]2CCC(F)(F)C2)c(C#N)c(N[C@H]2CCC(F)(F)C2)[nH+]1 ZINC000596163231 1115577918 /nfs/dbraw/zinc/57/79/18/1115577918.db2.gz UZKHRRKOWDPGKE-NEPJUHHUSA-N 1 1 356.367 4.461 20 30 FIEDMO Cc1cc(N[C@H]2CCC(F)(F)C2)c(C#N)c(N[C@H]2CCC(F)(F)C2)[nH+]1 ZINC000596163240 1115578091 /nfs/dbraw/zinc/57/80/91/1115578091.db2.gz UZKHRRKOWDPGKE-RYUDHWBXSA-N 1 1 356.367 4.461 20 30 FIEDMO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c(C#N)c(N[C@@H]2CCOC(C)(C)C2)[nH+]1 ZINC000596171451 1115578461 /nfs/dbraw/zinc/57/84/61/1115578461.db2.gz AOSLJBSXIMOVHH-HZPDHXFCSA-N 1 1 372.513 4.001 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213563 1115578576 /nfs/dbraw/zinc/57/85/76/1115578576.db2.gz WKZZDFRKWBGISS-OAHLLOKOSA-N 1 1 353.857 4.065 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000596483689 1115594681 /nfs/dbraw/zinc/59/46/81/1115594681.db2.gz XROQUMHFEZHCII-LJQANCHMSA-N 1 1 370.541 4.144 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596733288 1115610781 /nfs/dbraw/zinc/61/07/81/1115610781.db2.gz POGKGNNQIIFRMH-HOTGVXAUSA-N 1 1 374.554 4.323 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984876 1115631989 /nfs/dbraw/zinc/63/19/89/1115631989.db2.gz WOHZDCWLHKPXNK-HTAPYJJXSA-N 1 1 350.462 4.309 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000597014395 1115633284 /nfs/dbraw/zinc/63/32/84/1115633284.db2.gz NWMUPIGSKLMCIK-IIBYNOLFSA-N 1 1 350.437 4.343 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000597014395 1115633287 /nfs/dbraw/zinc/63/32/87/1115633287.db2.gz NWMUPIGSKLMCIK-IIBYNOLFSA-N 1 1 350.437 4.343 20 30 FIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027801 1115634764 /nfs/dbraw/zinc/63/47/64/1115634764.db2.gz RPBSJNYNNROLEP-PUAOIOHZSA-N 1 1 352.503 4.172 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+](CCc3ccccn3)Cc3ccncc3)cc2)CC1 ZINC000597133289 1115642968 /nfs/dbraw/zinc/64/29/68/1115642968.db2.gz QQMRUVLXAXVGIV-UHFFFAOYSA-N 1 1 368.484 4.277 20 30 FIEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000597173875 1115646244 /nfs/dbraw/zinc/64/62/44/1115646244.db2.gz MLKZTEJUFXQODY-QGZVFWFLSA-N 1 1 366.509 4.439 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2ccccc2)cc1OC ZINC000597175507 1115646636 /nfs/dbraw/zinc/64/66/36/1115646636.db2.gz ZYSUQPWEKZWORC-QGZVFWFLSA-N 1 1 350.462 4.496 20 30 FIEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1(C#N)CCCCC1 ZINC000597322261 1115659148 /nfs/dbraw/zinc/65/91/48/1115659148.db2.gz QKIRQIAYVJOALT-OAQYLSRUSA-N 1 1 367.537 4.221 20 30 FIEDMO C[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000597448022 1115666732 /nfs/dbraw/zinc/66/67/32/1115666732.db2.gz NNWFUOVGUVLPLD-MJGOQNOKSA-N 1 1 359.901 4.066 20 30 FIEDMO C[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000597448022 1115666733 /nfs/dbraw/zinc/66/67/33/1115666733.db2.gz NNWFUOVGUVLPLD-MJGOQNOKSA-N 1 1 359.901 4.066 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597902607 1115694762 /nfs/dbraw/zinc/69/47/62/1115694762.db2.gz ATVPELKHBMOJMP-FQEVSTJZSA-N 1 1 361.489 4.084 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](c1ccccc1)C2 ZINC000598593363 1115739362 /nfs/dbraw/zinc/73/93/62/1115739362.db2.gz RMLCAWJYJKADPU-IFMALSPDSA-N 1 1 364.489 4.095 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000598596821 1115739737 /nfs/dbraw/zinc/73/97/37/1115739737.db2.gz AJUHAQAPGFUOMR-OAHLLOKOSA-N 1 1 352.400 4.095 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cscc3Cl)CC2)cc1 ZINC000603169736 1115747447 /nfs/dbraw/zinc/74/74/47/1115747447.db2.gz ZDGQUNAZOMBXGJ-UHFFFAOYSA-N 1 1 374.897 4.013 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cscc3Cl)CC2)cc1 ZINC000603169736 1115747449 /nfs/dbraw/zinc/74/74/49/1115747449.db2.gz ZDGQUNAZOMBXGJ-UHFFFAOYSA-N 1 1 374.897 4.013 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489808824 1115783136 /nfs/dbraw/zinc/78/31/36/1115783136.db2.gz BOBDJFUPSWSGOT-TZIWHRDSSA-N 1 1 357.542 4.285 20 30 FIEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000593685960 1115793768 /nfs/dbraw/zinc/79/37/68/1115793768.db2.gz BZEMNPCGPXDJFD-QUCCMNQESA-N 1 1 366.436 4.357 20 30 FIEDMO N#Cc1cccc(CN2CCC([NH2+]Cc3c(F)cccc3Cl)CC2)c1 ZINC000593687200 1115795130 /nfs/dbraw/zinc/79/51/30/1115795130.db2.gz FZIDTELCQUCLIG-UHFFFAOYSA-N 1 1 357.860 4.105 20 30 FIEDMO CC1(C)CCC[C@H]1[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599305724 1115805307 /nfs/dbraw/zinc/80/53/07/1115805307.db2.gz CCKDSDPUGFQMBQ-NHCUHLMSSA-N 1 1 370.537 4.139 20 30 FIEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000599271597 1115805404 /nfs/dbraw/zinc/80/54/04/1115805404.db2.gz ZGPKXCZWAUTRSX-PKOBYXMFSA-N 1 1 370.493 4.277 20 30 FIEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000599525860 1115822643 /nfs/dbraw/zinc/82/26/43/1115822643.db2.gz AMOCGLCNGUXNDA-QGZVFWFLSA-N 1 1 374.307 4.082 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603890048 1115826393 /nfs/dbraw/zinc/82/63/93/1115826393.db2.gz MRVRXLGBEYIOFU-IBGZPJMESA-N 1 1 372.472 4.248 20 30 FIEDMO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000599572662 1115827351 /nfs/dbraw/zinc/82/73/51/1115827351.db2.gz DTHSFTGOGFHLLY-HNNXBMFYSA-N 1 1 369.328 4.241 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671827 1115834896 /nfs/dbraw/zinc/83/48/96/1115834896.db2.gz SACYCDATXDZRSO-GUXCAODWSA-N 1 1 357.523 4.284 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671827 1115834901 /nfs/dbraw/zinc/83/49/01/1115834901.db2.gz SACYCDATXDZRSO-GUXCAODWSA-N 1 1 357.523 4.284 20 30 FIEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000599653926 1115835780 /nfs/dbraw/zinc/83/57/80/1115835780.db2.gz XUZIQLCUSDUCRP-BBRMVZONSA-N 1 1 356.267 4.094 20 30 FIEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCCSCC#N ZINC000599654343 1115835938 /nfs/dbraw/zinc/83/59/38/1115835938.db2.gz ZMHILZFGAGXUOI-ZFWWWQNUSA-N 1 1 353.329 4.274 20 30 FIEDMO CCCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000604493649 1115868127 /nfs/dbraw/zinc/86/81/27/1115868127.db2.gz VFEOVQUYQZZJMC-HKUYNNGSSA-N 1 1 356.466 4.063 20 30 FIEDMO COc1cccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(C)C)c1 ZINC000604494602 1115868157 /nfs/dbraw/zinc/86/81/57/1115868157.db2.gz DIJGJWCRHWGMRL-UHFFFAOYSA-N 1 1 365.477 4.054 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605902502 1115920624 /nfs/dbraw/zinc/92/06/24/1115920624.db2.gz LGKCRVZLMBRJFY-WOJBJXKFSA-N 1 1 355.478 4.365 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000062486342 1115927180 /nfs/dbraw/zinc/92/71/80/1115927180.db2.gz PVORSKOOVBKBOT-FQEVSTJZSA-N 1 1 357.542 4.081 20 30 FIEDMO C[C@](CO)([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000615224693 1115981672 /nfs/dbraw/zinc/98/16/72/1115981672.db2.gz DYKTVBWHHUDMHH-QGZVFWFLSA-N 1 1 368.786 4.228 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172765879 1115987517 /nfs/dbraw/zinc/98/75/17/1115987517.db2.gz GZQXUUAKZFRNHK-IBGZPJMESA-N 1 1 357.498 4.026 20 30 FIEDMO N#CCCC[NH+]1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000608856533 1116134360 /nfs/dbraw/zinc/13/43/60/1116134360.db2.gz QCLMXCFTBORSSL-OAQYLSRUSA-N 1 1 353.897 4.351 20 30 FIEDMO N#CCCCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000608856533 1116134361 /nfs/dbraw/zinc/13/43/61/1116134361.db2.gz QCLMXCFTBORSSL-OAQYLSRUSA-N 1 1 353.897 4.351 20 30 FIEDMO N#Cc1ccc(F)c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534968245 1116256535 /nfs/dbraw/zinc/25/65/35/1116256535.db2.gz YPLISWKFGYNKRO-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO N#Cc1ccc(F)c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534968245 1116256537 /nfs/dbraw/zinc/25/65/37/1116256537.db2.gz YPLISWKFGYNKRO-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)OCC ZINC000535124344 1116271782 /nfs/dbraw/zinc/27/17/82/1116271782.db2.gz BRXHPMFFXJUTNG-NRSPTQNISA-N 1 1 358.526 4.042 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1C#N ZINC000535206446 1116281223 /nfs/dbraw/zinc/28/12/23/1116281223.db2.gz NJQWSDDTRQAXOX-HSZRJFAPSA-N 1 1 370.452 4.418 20 30 FIEDMO C[N@@H+](CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000547429394 1116290309 /nfs/dbraw/zinc/29/03/09/1116290309.db2.gz JQTXOIKVFSBQDZ-INIZCTEOSA-N 1 1 368.308 4.329 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535373692 1116298261 /nfs/dbraw/zinc/29/82/61/1116298261.db2.gz TWRKHAYADZSSHL-SFHVURJKSA-N 1 1 361.489 4.057 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000535387532 1116302011 /nfs/dbraw/zinc/30/20/11/1116302011.db2.gz XOHVUAOZRRZLMM-IFMALSPDSA-N 1 1 362.517 4.469 20 30 FIEDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)[nH]1 ZINC000539767319 1116377786 /nfs/dbraw/zinc/37/77/86/1116377786.db2.gz DDQFDRMTHOETMK-HXUWFJFHSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n1 ZINC000539767319 1116377789 /nfs/dbraw/zinc/37/77/89/1116377789.db2.gz DDQFDRMTHOETMK-HXUWFJFHSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n1 ZINC000539767319 1116377790 /nfs/dbraw/zinc/37/77/90/1116377790.db2.gz DDQFDRMTHOETMK-HXUWFJFHSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n[nH]1 ZINC000539767319 1116377792 /nfs/dbraw/zinc/37/77/92/1116377792.db2.gz DDQFDRMTHOETMK-HXUWFJFHSA-N 1 1 357.461 4.031 20 30 FIEDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)n[nH]1 ZINC000539767319 1116377794 /nfs/dbraw/zinc/37/77/94/1116377794.db2.gz DDQFDRMTHOETMK-HXUWFJFHSA-N 1 1 357.461 4.031 20 30 FIEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462746894 1117749291 /nfs/dbraw/zinc/74/92/91/1117749291.db2.gz VINKNAJXTQXARQ-LEWJYISDSA-N 1 1 355.526 4.039 20 30 FIEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462746895 1117749674 /nfs/dbraw/zinc/74/96/74/1117749674.db2.gz VINKNAJXTQXARQ-NHCUHLMSSA-N 1 1 355.526 4.039 20 30 FIEDMO N#Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000462842969 1117800832 /nfs/dbraw/zinc/80/08/32/1117800832.db2.gz UAVAKNNLCUKAAT-QGZVFWFLSA-N 1 1 363.358 4.403 20 30 FIEDMO C=C(CC)CSc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000540216719 1117941458 /nfs/dbraw/zinc/94/14/58/1117941458.db2.gz HDEULOZZWUAXPU-QGZVFWFLSA-N 1 1 360.527 4.347 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1)CC(C)C ZINC000540246644 1117959840 /nfs/dbraw/zinc/95/98/40/1117959840.db2.gz GLCQECWOMKPAHT-UHFFFAOYSA-N 1 1 370.541 4.479 20 30 FIEDMO C#CCC1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC001127244632 1118058848 /nfs/dbraw/zinc/05/88/48/1118058848.db2.gz FWFNFTGOHUDMEJ-VQTJNVASSA-N 1 1 352.522 4.082 20 30 FIEDMO CCC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000540506835 1118098056 /nfs/dbraw/zinc/09/80/56/1118098056.db2.gz VNSBWXVHXFLELZ-UHFFFAOYSA-N 1 1 350.491 4.432 20 30 FIEDMO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(C#N)c(F)c1 ZINC000540707782 1118196791 /nfs/dbraw/zinc/19/67/91/1118196791.db2.gz NSYSOYHDAIEUTF-HNNXBMFYSA-N 1 1 360.436 4.223 20 30 FIEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1OC ZINC000507155222 1118206221 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C[N@@H+](CCCSCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000080633163 1123970398 /nfs/dbraw/zinc/97/03/98/1123970398.db2.gz UBCJDFYDXWCVOL-UHFFFAOYSA-N 1 1 353.329 4.059 20 30 FIEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245452522 1124036795 /nfs/dbraw/zinc/03/67/95/1124036795.db2.gz QLDSDNGUKQEDGN-UZLBHIALSA-N 1 1 359.539 4.389 20 30 FIEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245452522 1124036799 /nfs/dbraw/zinc/03/67/99/1124036799.db2.gz QLDSDNGUKQEDGN-UZLBHIALSA-N 1 1 359.539 4.389 20 30 FIEDMO C=CCN(Cc1ccccc1F)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000615628393 1124047807 /nfs/dbraw/zinc/04/78/07/1124047807.db2.gz BHVSNROVDJHFRL-UHFFFAOYSA-N 1 1 369.484 4.045 20 30 FIEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245602168 1124134816 /nfs/dbraw/zinc/13/48/16/1124134816.db2.gz PIBOESIGJHNSKH-CABCVRRESA-N 1 1 365.568 4.093 20 30 FIEDMO N#Cc1cccc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000301259225 1124207537 /nfs/dbraw/zinc/20/75/37/1124207537.db2.gz FQMLOEBLBQPCKE-UHFFFAOYSA-N 1 1 360.383 4.049 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000301328182 1124216392 /nfs/dbraw/zinc/21/63/92/1124216392.db2.gz CHCKOHNKUDWZFU-HNNXBMFYSA-N 1 1 374.410 4.073 20 30 FIEDMO Cc1nc(C[NH+]2CCC(CNc3c(Cl)cccc3C#N)CC2)oc1C ZINC000301392924 1124226144 /nfs/dbraw/zinc/22/61/44/1124226144.db2.gz ISKKMZALYBWHAR-UHFFFAOYSA-N 1 1 358.873 4.141 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301527693 1124239487 /nfs/dbraw/zinc/23/94/87/1124239487.db2.gz QJTYXMXKSHXBKP-KXBFYZLASA-N 1 1 374.410 4.467 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000273581983 1124242558 /nfs/dbraw/zinc/24/25/58/1124242558.db2.gz ZXZBEMIOZJRXGO-TZIWHRDSSA-N 1 1 354.425 4.058 20 30 FIEDMO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302053273 1124280781 /nfs/dbraw/zinc/28/07/81/1124280781.db2.gz PFHTXSWRVZMUQL-JSGCOSHPSA-N 1 1 352.404 4.037 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000302108223 1124283834 /nfs/dbraw/zinc/28/38/34/1124283834.db2.gz OKMQZRYNVAFJAC-XLIONFOSSA-N 1 1 353.491 4.317 20 30 FIEDMO C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542056 1124356610 /nfs/dbraw/zinc/35/66/10/1124356610.db2.gz BWNVHYJBXVYLTR-DXIQSLLYSA-N 1 1 363.505 4.293 20 30 FIEDMO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542056 1124356620 /nfs/dbraw/zinc/35/66/20/1124356620.db2.gz BWNVHYJBXVYLTR-DXIQSLLYSA-N 1 1 363.505 4.293 20 30 FIEDMO C[N@H+]1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302890146 1124364123 /nfs/dbraw/zinc/36/41/23/1124364123.db2.gz PHFKZRPYEBIEBP-OXJNMPFZSA-N 1 1 368.843 4.327 20 30 FIEDMO N#CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000508323132 1124388850 /nfs/dbraw/zinc/38/88/50/1124388850.db2.gz BIDRQYOZZRRVKA-UHFFFAOYSA-N 1 1 356.429 4.348 20 30 FIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617219514 1124494797 /nfs/dbraw/zinc/49/47/97/1124494797.db2.gz HVRNHYCYZUXVAQ-GXFFZTMASA-N 1 1 361.205 4.484 20 30 FIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617219514 1124494803 /nfs/dbraw/zinc/49/48/03/1124494803.db2.gz HVRNHYCYZUXVAQ-GXFFZTMASA-N 1 1 361.205 4.484 20 30 FIEDMO CCc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405668 1124564071 /nfs/dbraw/zinc/56/40/71/1124564071.db2.gz CJVIIUIGIZEZHI-SFHVURJKSA-N 1 1 363.505 4.208 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000072798652 1124574653 /nfs/dbraw/zinc/57/46/53/1124574653.db2.gz PIMHWOHVUXVFSU-QGZVFWFLSA-N 1 1 365.502 4.001 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2C(C)C)no1 ZINC001212325127 1124771679 /nfs/dbraw/zinc/77/16/79/1124771679.db2.gz JKRIZLMHJCOKEW-HNNXBMFYSA-N 1 1 362.271 4.426 20 30 FIEDMO CCCCCCCOc1ccc(-c2noc([C@@](C)(N)CCCC[NH3+])n2)cc1 ZINC001212339374 1124860176 /nfs/dbraw/zinc/86/01/76/1124860176.db2.gz ZJCLGAZINNLQRD-NRFANRHFSA-N 1 1 374.529 4.389 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4ccccc4)CC3)o2)cc1 ZINC000075711629 1124916928 /nfs/dbraw/zinc/91/69/28/1124916928.db2.gz FNAUHLAOWVSTOJ-LJQANCHMSA-N 1 1 358.445 4.378 20 30 FIEDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000251516237 1125001436 /nfs/dbraw/zinc/00/14/36/1125001436.db2.gz JSVPNYHYPLAVMJ-QMHKHESXSA-N 1 1 361.489 4.174 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000112541370 1125002506 /nfs/dbraw/zinc/00/25/06/1125002506.db2.gz ZEOBCKIEODNLCL-UHFFFAOYSA-N 1 1 371.278 4.364 20 30 FIEDMO C#CCCOc1ccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1 ZINC000733900826 1125050291 /nfs/dbraw/zinc/05/02/91/1125050291.db2.gz LHVXTJXSSPJHST-IBGZPJMESA-N 1 1 350.506 4.308 20 30 FIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)C12CCC2 ZINC000092041086 1125114430 /nfs/dbraw/zinc/11/44/30/1125114430.db2.gz OQDIMXIHWHUZFE-RTWAWAEBSA-N 1 1 372.509 4.157 20 30 FIEDMO N#CC(CC[N@H+]1CCC[C@@H](n2ccnc2)C1)(c1ccccc1)c1ccccc1 ZINC000618280039 1125137064 /nfs/dbraw/zinc/13/70/64/1125137064.db2.gz RXZJULJIHQOAOR-HSZRJFAPSA-N 1 1 370.500 4.420 20 30 FIEDMO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847432 1125157170 /nfs/dbraw/zinc/15/71/70/1125157170.db2.gz CZYFKHYIICQOSK-RBUKOAKNSA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847432 1125157171 /nfs/dbraw/zinc/15/71/71/1125157171.db2.gz CZYFKHYIICQOSK-RBUKOAKNSA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847432 1125157176 /nfs/dbraw/zinc/15/71/76/1125157176.db2.gz CZYFKHYIICQOSK-RBUKOAKNSA-N 1 1 351.494 4.150 20 30 FIEDMO CCC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000499614029 1125302718 /nfs/dbraw/zinc/30/27/18/1125302718.db2.gz XXILGTLDKGOHLX-QFIPXVFZSA-N 1 1 369.553 4.073 20 30 FIEDMO CCC[C@H]1CN(CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000499614029 1125302723 /nfs/dbraw/zinc/30/27/23/1125302723.db2.gz XXILGTLDKGOHLX-QFIPXVFZSA-N 1 1 369.553 4.073 20 30 FIEDMO CCC[C@H]1CN(CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000499614029 1125302730 /nfs/dbraw/zinc/30/27/30/1125302730.db2.gz XXILGTLDKGOHLX-QFIPXVFZSA-N 1 1 369.553 4.073 20 30 FIEDMO C[C@@]1(c2ccccc2)C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093341816 1125309827 /nfs/dbraw/zinc/30/98/27/1125309827.db2.gz NYMQPLMONALOAW-QFIPXVFZSA-N 1 1 350.462 4.117 20 30 FIEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093341816 1125309834 /nfs/dbraw/zinc/30/98/34/1125309834.db2.gz NYMQPLMONALOAW-QFIPXVFZSA-N 1 1 350.462 4.117 20 30 FIEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000618948078 1125324139 /nfs/dbraw/zinc/32/41/39/1125324139.db2.gz AAUYUBAAXOSDHT-SFHVURJKSA-N 1 1 367.518 4.001 20 30 FIEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000618948076 1125324490 /nfs/dbraw/zinc/32/44/90/1125324490.db2.gz AAUYUBAAXOSDHT-GOSISDBHSA-N 1 1 367.518 4.001 20 30 FIEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181861032 567967965 /nfs/dbraw/zinc/96/79/65/567967965.db2.gz MTSQOJJOBYHDCM-INIZCTEOSA-N 1 1 373.460 4.059 20 30 FIEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCCC2)c1 ZINC000181861056 567967975 /nfs/dbraw/zinc/96/79/75/567967975.db2.gz MTSQOJJOBYHDCM-MRXNPFEDSA-N 1 1 373.460 4.059 20 30 FIEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000568497295 568037407 /nfs/dbraw/zinc/03/74/07/568037407.db2.gz PVSFYVDBMSXLLD-LJQANCHMSA-N 1 1 359.395 4.066 20 30 FIEDMO CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568456124 568039844 /nfs/dbraw/zinc/03/98/44/568039844.db2.gz RJTRARKXTOHSAM-IBGZPJMESA-N 1 1 373.422 4.283 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568456124 568039845 /nfs/dbraw/zinc/03/98/45/568039845.db2.gz RJTRARKXTOHSAM-IBGZPJMESA-N 1 1 373.422 4.283 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568456124 568039847 /nfs/dbraw/zinc/03/98/47/568039847.db2.gz RJTRARKXTOHSAM-IBGZPJMESA-N 1 1 373.422 4.283 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC000568458035 568039985 /nfs/dbraw/zinc/03/99/85/568039985.db2.gz SZSQCWWSOHYANP-KRWDZBQOSA-N 1 1 367.880 4.105 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000568516965 568045842 /nfs/dbraw/zinc/04/58/42/568045842.db2.gz VCXVCENRJSNZFJ-UHFFFAOYSA-N 1 1 357.360 4.124 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000481697521 568092360 /nfs/dbraw/zinc/09/23/60/568092360.db2.gz WPUGLGYQZYVUCI-OAQYLSRUSA-N 1 1 370.399 4.181 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(OC(F)F)c1 ZINC000481697521 568092361 /nfs/dbraw/zinc/09/23/61/568092361.db2.gz WPUGLGYQZYVUCI-OAQYLSRUSA-N 1 1 370.399 4.181 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482009021 568226562 /nfs/dbraw/zinc/22/65/62/568226562.db2.gz TXZYKTHRPIEKJN-ZJSXRUAMSA-N 1 1 359.517 4.437 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000482009021 568226563 /nfs/dbraw/zinc/22/65/63/568226563.db2.gz TXZYKTHRPIEKJN-ZJSXRUAMSA-N 1 1 359.517 4.437 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)s1 ZINC000569392566 568400331 /nfs/dbraw/zinc/40/03/31/568400331.db2.gz PZNVDIPPBOGHPB-UHFFFAOYSA-N 1 1 354.397 4.287 20 30 FIEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570931048 568726637 /nfs/dbraw/zinc/72/66/37/568726637.db2.gz CHGKEDPOXHEPFR-KUHUBIRLSA-N 1 1 353.447 4.145 20 30 FIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570931048 568726640 /nfs/dbraw/zinc/72/66/40/568726640.db2.gz CHGKEDPOXHEPFR-KUHUBIRLSA-N 1 1 353.447 4.145 20 30 FIEDMO N#CC1(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)CCC1 ZINC001164618573 719078182 /nfs/dbraw/zinc/07/81/82/719078182.db2.gz BBLZUTLFQVNXAC-UNMCSNQZSA-N 1 1 372.516 4.128 20 30 FIEDMO N#Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2ccccc12 ZINC001164627952 719097826 /nfs/dbraw/zinc/09/78/26/719097826.db2.gz LHOQZIORTNOCGN-XXBNENTESA-N 1 1 368.484 4.207 20 30 FIEDMO C=C(Br)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182562632 1125558936 /nfs/dbraw/zinc/55/89/36/1125558936.db2.gz SVKLAAZBSFWYSP-AWEZNQCLSA-N 1 1 359.267 4.498 20 30 FIEDMO Cc1c[nH+]cn1C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000619569958 1125617855 /nfs/dbraw/zinc/61/78/55/1125617855.db2.gz PASUFLDUMMHCAI-UHFFFAOYSA-N 1 1 370.460 4.014 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000152954967 1125701645 /nfs/dbraw/zinc/70/16/45/1125701645.db2.gz RPIBBWKMNDIWDV-UHFFFAOYSA-N 1 1 369.490 4.279 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000152954967 1125701650 /nfs/dbraw/zinc/70/16/50/1125701650.db2.gz RPIBBWKMNDIWDV-UHFFFAOYSA-N 1 1 369.490 4.279 20 30 FIEDMO C[C@H](OC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C(C)(C)C#N ZINC000784902857 1079601704 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CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000447678360 1109617473 /nfs/dbraw/zinc/61/74/73/1109617473.db2.gz ZBWCRUXBBCDUNQ-KRWDZBQOSA-N 1 1 350.510 4.398 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000526303804 1109635239 /nfs/dbraw/zinc/63/52/39/1109635239.db2.gz XIYPUDXYSIZCQF-INIZCTEOSA-N 1 1 354.759 4.054 20 30 FIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nnc1-c1ccc(C)cc1 ZINC000536501873 1109746838 /nfs/dbraw/zinc/74/68/38/1109746838.db2.gz KJTXOVYAWKDPIB-UHFFFAOYSA-N 1 1 353.495 4.127 20 30 FIEDMO CN(C)C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(Cl)c1 ZINC000527811223 1109828194 /nfs/dbraw/zinc/82/81/94/1109828194.db2.gz QWBHGBLOJBMVNF-INIZCTEOSA-N 1 1 354.306 4.319 20 30 FIEDMO CC[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000449012285 1109958312 /nfs/dbraw/zinc/95/83/12/1109958312.db2.gz ASJVHJHKOHMOOZ-IAGOWNOFSA-N 1 1 370.518 4.148 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000449047080 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359.510 4.166 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000449516349 1110096871 /nfs/dbraw/zinc/09/68/71/1110096871.db2.gz GCGNYCJTXPQDGN-RTWAWAEBSA-N 1 1 354.494 4.150 20 30 FIEDMO CC(C)(C)c1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528779299 1110110753 /nfs/dbraw/zinc/11/07/53/1110110753.db2.gz UTGBDASHGXNJNP-UHFFFAOYSA-N 1 1 355.507 4.108 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3ncc(-c4ccccc4)o3)CCOCC2)cc1 ZINC000528783665 1110112210 /nfs/dbraw/zinc/11/22/10/1110112210.db2.gz PNQPFYZCZNZNRS-UHFFFAOYSA-N 1 1 359.429 4.009 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(-c4ccccc4)on3)CCOCC2)cc1 ZINC000528784945 1110112789 /nfs/dbraw/zinc/11/27/89/1110112789.db2.gz VLWNCZQGZLRZMG-UHFFFAOYSA-N 1 1 359.429 4.009 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(COC)c(C#N)c2)cc1)C(C)C ZINC000529817584 1110322472 /nfs/dbraw/zinc/32/24/72/1110322472.db2.gz ZRCWDHJLVLXKFW-UHFFFAOYSA-N 1 1 365.477 4.187 20 30 FIEDMO C[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450712218 1110334125 /nfs/dbraw/zinc/33/41/25/1110334125.db2.gz FUIWLLWGUPOCRS-INIZCTEOSA-N 1 1 357.461 4.078 20 30 FIEDMO C=C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423132 1111206745 /nfs/dbraw/zinc/20/67/45/1111206745.db2.gz DRBQSDJOAOIWJC-YFNKSVMNSA-N 1 1 374.528 4.327 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000538823891 1111316425 /nfs/dbraw/zinc/31/64/25/1111316425.db2.gz LSLAKPVIWJSSSN-UHFFFAOYSA-N 1 1 360.457 4.421 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1C ZINC000538943407 1111354654 /nfs/dbraw/zinc/35/46/54/1111354654.db2.gz SEMVSDRSDGKGOW-SFHVURJKSA-N 1 1 353.510 4.062 20 30 FIEDMO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000539190514 1111473210 /nfs/dbraw/zinc/47/32/10/1111473210.db2.gz YXXMGESZKPOGNG-LLVKDONJSA-N 1 1 355.804 4.006 20 30 FIEDMO C=C(C)C[N@H+](C/C(C)=C/c1ccccc1COC)Cc1ccc(CO)o1 ZINC000552243947 1111635023 /nfs/dbraw/zinc/63/50/23/1111635023.db2.gz POVJUXQVOUHNMU-WOJGMQOQSA-N 1 1 355.478 4.400 20 30 FIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2cc(Cl)ccn2c1C#N ZINC000552937712 1111862218 /nfs/dbraw/zinc/86/22/18/1111862218.db2.gz LUFSCDSOFRVNQR-UHFFFAOYSA-N 1 1 367.884 4.312 20 30 FIEDMO Cc1nsc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143947 1111916946 /nfs/dbraw/zinc/91/69/46/1111916946.db2.gz UFMVUAVZJGZZHG-LRDDRELGSA-N 1 1 364.877 4.221 20 30 FIEDMO Cc1nsc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143947 1111916949 /nfs/dbraw/zinc/91/69/49/1111916949.db2.gz UFMVUAVZJGZZHG-LRDDRELGSA-N 1 1 364.877 4.221 20 30 FIEDMO C=CC[NH+]1CCC(N[C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479069381 1111940162 /nfs/dbraw/zinc/94/01/62/1111940162.db2.gz PKOCBOWMZBQJJJ-GOSISDBHSA-N 1 1 367.306 4.279 20 30 FIEDMO Cc1ccc2oc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000479288611 1111982344 /nfs/dbraw/zinc/98/23/44/1111982344.db2.gz QWWKDNMQXBQUMO-UHFFFAOYSA-N 1 1 373.456 4.029 20 30 FIEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520353 1111998054 /nfs/dbraw/zinc/99/80/54/1111998054.db2.gz XGGHSVZPVHWWNY-RBUKOAKNSA-N 1 1 362.502 4.420 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2cccs2)n1 ZINC000553520353 1111998056 /nfs/dbraw/zinc/99/80/56/1111998056.db2.gz XGGHSVZPVHWWNY-RBUKOAKNSA-N 1 1 362.502 4.420 20 30 FIEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(Cl)cccc1Cl ZINC000553833440 1112101101 /nfs/dbraw/zinc/10/11/01/1112101101.db2.gz ZGQZFVGTNHIOSP-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(Cl)cccc1Cl ZINC000553833440 1112101104 /nfs/dbraw/zinc/10/11/04/1112101104.db2.gz ZGQZFVGTNHIOSP-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480526368 1112459054 /nfs/dbraw/zinc/45/90/54/1112459054.db2.gz NHMDMSCGTFFLBL-GOSISDBHSA-N 1 1 353.897 4.166 20 30 FIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742457 1112467575 /nfs/dbraw/zinc/46/75/75/1112467575.db2.gz IBPAXTHGAWSROV-QRWLVFNGSA-N 1 1 374.444 4.200 20 30 FIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742457 1112467576 /nfs/dbraw/zinc/46/75/76/1112467576.db2.gz IBPAXTHGAWSROV-QRWLVFNGSA-N 1 1 374.444 4.200 20 30 FIEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000480671026 1112537180 /nfs/dbraw/zinc/53/71/80/1112537180.db2.gz DPCZAJQDTUAODF-RBZFPXEDSA-N 1 1 352.388 4.010 20 30 FIEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000480671028 1112537569 /nfs/dbraw/zinc/53/75/69/1112537569.db2.gz DPCZAJQDTUAODF-XCLFUZPHSA-N 1 1 352.388 4.010 20 30 FIEDMO C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765751 1112585137 /nfs/dbraw/zinc/58/51/37/1112585137.db2.gz PSIOWTBDXRYPNM-ZHRRBRCNSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000480765751 1112585143 /nfs/dbraw/zinc/58/51/43/1112585143.db2.gz PSIOWTBDXRYPNM-ZHRRBRCNSA-N 1 1 351.469 4.259 20 30 FIEDMO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1OC ZINC000480889360 1112649595 /nfs/dbraw/zinc/64/95/95/1112649595.db2.gz NCSWFJZNIDBSRL-AWEZNQCLSA-N 1 1 374.868 4.096 20 30 FIEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000555131018 1112683215 /nfs/dbraw/zinc/68/32/15/1112683215.db2.gz YILFHUNXHKFBCE-UHFFFAOYSA-N 1 1 372.415 4.175 20 30 FIEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000481313492 1112895299 /nfs/dbraw/zinc/89/52/99/1112895299.db2.gz GTGGBQWTNKDNGP-MRXNPFEDSA-N 1 1 355.507 4.209 20 30 FIEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000481313492 1112895317 /nfs/dbraw/zinc/89/53/17/1112895317.db2.gz GTGGBQWTNKDNGP-MRXNPFEDSA-N 1 1 355.507 4.209 20 30 FIEDMO CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000600188080 1112915576 /nfs/dbraw/zinc/91/55/76/1112915576.db2.gz UTBLAZNEMWBOLS-UHFFFAOYSA-N 1 1 371.847 4.052 20 30 FIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c(-c2ccccc2)n1 ZINC000600213978 1112926179 /nfs/dbraw/zinc/92/61/79/1112926179.db2.gz JRAXSBZYNUUBCP-FQEVSTJZSA-N 1 1 372.472 4.159 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000481601182 1112990054 /nfs/dbraw/zinc/99/00/54/1112990054.db2.gz CCYRKENXSCQTFU-QVKFZJNVSA-N 1 1 358.432 4.391 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1 ZINC000481591687 1112990353 /nfs/dbraw/zinc/99/03/53/1112990353.db2.gz IKZKPUCQJDIORG-CVNMFNKSSA-N 1 1 374.475 4.257 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000481614688 1112993610 /nfs/dbraw/zinc/99/36/10/1112993610.db2.gz VRLYOLQLJONEPI-GJRWTSMGSA-N 1 1 350.453 4.065 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481786688 1113080803 /nfs/dbraw/zinc/08/08/03/1113080803.db2.gz YXNZMFITIYKSHL-KRWDZBQOSA-N 1 1 366.530 4.199 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481786688 1113080807 /nfs/dbraw/zinc/08/08/07/1113080807.db2.gz YXNZMFITIYKSHL-KRWDZBQOSA-N 1 1 366.530 4.199 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000138862375 1113205345 /nfs/dbraw/zinc/20/53/45/1113205345.db2.gz DKZITPSEPWKTOA-IBGZPJMESA-N 1 1 368.502 4.446 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000138862375 1113205348 /nfs/dbraw/zinc/20/53/48/1113205348.db2.gz DKZITPSEPWKTOA-IBGZPJMESA-N 1 1 368.502 4.446 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000138862264 1113205468 /nfs/dbraw/zinc/20/54/68/1113205468.db2.gz DKZITPSEPWKTOA-LJQANCHMSA-N 1 1 368.502 4.446 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000138862264 1113205471 /nfs/dbraw/zinc/20/54/71/1113205471.db2.gz DKZITPSEPWKTOA-LJQANCHMSA-N 1 1 368.502 4.446 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000482837933 1113376109 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C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541021418 1118351076 /nfs/dbraw/zinc/35/10/76/1118351076.db2.gz OLVBJFZCHPCTGM-GOSISDBHSA-N 1 1 361.489 4.230 20 30 FIEDMO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000443512989 1118447806 /nfs/dbraw/zinc/44/78/06/1118447806.db2.gz XYVZGVRAUKFWIJ-OAHLLOKOSA-N 1 1 374.410 4.073 20 30 FIEDMO N#Cc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1C(F)(F)F ZINC000443512622 1118447956 /nfs/dbraw/zinc/44/79/56/1118447956.db2.gz VFOPLYOWLSYNPB-UHFFFAOYSA-N 1 1 366.431 4.064 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000443506066 1118455192 /nfs/dbraw/zinc/45/51/92/1118455192.db2.gz BSCVKKTYSWPDMD-GJZGRUSLSA-N 1 1 366.431 4.063 20 30 FIEDMO Cc1ccnc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350219 1118483266 /nfs/dbraw/zinc/48/32/66/1118483266.db2.gz VNOXOBZDHRNXQV-KDOFPFPSSA-N 1 1 358.848 4.159 20 30 FIEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000541765299 1118636549 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LLZDVYHVBPYBPN-WIYYLYMNSA-N 1 1 365.452 4.235 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443647091 1118734921 /nfs/dbraw/zinc/73/49/21/1118734921.db2.gz XGRLVCQSUGMEIE-CQSZACIVSA-N 1 1 353.372 4.357 20 30 FIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443647091 1118734925 /nfs/dbraw/zinc/73/49/25/1118734925.db2.gz XGRLVCQSUGMEIE-CQSZACIVSA-N 1 1 353.372 4.357 20 30 FIEDMO C[C@H]1c2ccccc2C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000542132941 1118808761 /nfs/dbraw/zinc/80/87/61/1118808761.db2.gz LGIQXLUNXGLUQT-AWEZNQCLSA-N 1 1 365.502 4.404 20 30 FIEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000542315841 1118900201 /nfs/dbraw/zinc/90/02/01/1118900201.db2.gz LJIJHSKBWDCRPB-UHFFFAOYSA-N 1 1 373.378 4.180 20 30 FIEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000542315841 1118900203 /nfs/dbraw/zinc/90/02/03/1118900203.db2.gz LJIJHSKBWDCRPB-UHFFFAOYSA-N 1 1 373.378 4.180 20 30 FIEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCc1ccco1 ZINC000491341875 1118921113 /nfs/dbraw/zinc/92/11/13/1118921113.db2.gz FXENQQKDDLYOOL-UHFFFAOYSA-N 1 1 350.821 4.131 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000172797628 1118978970 /nfs/dbraw/zinc/97/89/70/1118978970.db2.gz SSDNFGABNXUUFX-AWEZNQCLSA-N 1 1 365.264 4.084 20 30 FIEDMO CC[N@@H+](CCNc1c(C#N)cnc2c(F)cc(F)cc21)CCC(F)(F)F ZINC000491833179 1118985686 /nfs/dbraw/zinc/98/56/86/1118985686.db2.gz VANAVIICNFRKMP-UHFFFAOYSA-N 1 1 372.341 4.071 20 30 FIEDMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000492205706 1119045369 /nfs/dbraw/zinc/04/53/69/1119045369.db2.gz BHLRPQKSUCFMLL-HNNXBMFYSA-N 1 1 362.296 4.190 20 30 FIEDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492539654 1119126762 /nfs/dbraw/zinc/12/67/62/1119126762.db2.gz SLAWZTQZOYLKDU-SFHVURJKSA-N 1 1 373.294 4.094 20 30 FIEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492539654 1119126764 /nfs/dbraw/zinc/12/67/64/1119126764.db2.gz SLAWZTQZOYLKDU-SFHVURJKSA-N 1 1 373.294 4.094 20 30 FIEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000174819948 1119153862 /nfs/dbraw/zinc/15/38/62/1119153862.db2.gz ILCHSRWEFMPTPE-UHFFFAOYSA-N 1 1 368.308 4.081 20 30 FIEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000175144424 1119180224 /nfs/dbraw/zinc/18/02/24/1119180224.db2.gz HCQHEKZEMRNNTE-JOCHJYFZSA-N 1 1 374.488 4.303 20 30 FIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000175144424 1119180227 /nfs/dbraw/zinc/18/02/27/1119180227.db2.gz HCQHEKZEMRNNTE-JOCHJYFZSA-N 1 1 374.488 4.303 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000492794895 1119193228 /nfs/dbraw/zinc/19/32/28/1119193228.db2.gz XWDGKVLDMDCDPG-CVEARBPZSA-N 1 1 351.313 4.181 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000492794895 1119193232 /nfs/dbraw/zinc/19/32/32/1119193232.db2.gz XWDGKVLDMDCDPG-CVEARBPZSA-N 1 1 351.313 4.181 20 30 FIEDMO C=C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670018370 1119483207 /nfs/dbraw/zinc/48/32/07/1119483207.db2.gz WZPKMRJGKRBKFL-YQCLPMHJSA-N 1 1 361.917 4.128 20 30 FIEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493921286 1119514215 /nfs/dbraw/zinc/51/42/15/1119514215.db2.gz WHTFHLAQANVWQW-YOEHRIQHSA-N 1 1 352.881 4.190 20 30 FIEDMO Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000487740927 1119533337 /nfs/dbraw/zinc/53/33/37/1119533337.db2.gz PODRDFLVIONCKN-INIZCTEOSA-N 1 1 362.502 4.360 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182915030 1119563030 /nfs/dbraw/zinc/56/30/30/1119563030.db2.gz BWYQPYDMMXLVRG-CTNGQTDRSA-N 1 1 369.553 4.080 20 30 FIEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000185358542 1119657614 /nfs/dbraw/zinc/65/76/14/1119657614.db2.gz JLWOLYBFPMIOSO-OAQYLSRUSA-N 1 1 364.493 4.031 20 30 FIEDMO N#CCSCCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186853116 1119752959 /nfs/dbraw/zinc/75/29/59/1119752959.db2.gz LXKUEDJVLFXWNN-HNNXBMFYSA-N 1 1 360.470 4.442 20 30 FIEDMO N#CCSCCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186853116 1119752964 /nfs/dbraw/zinc/75/29/64/1119752964.db2.gz LXKUEDJVLFXWNN-HNNXBMFYSA-N 1 1 360.470 4.442 20 30 FIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccsc2Br)cc1 ZINC000800985476 1119792657 /nfs/dbraw/zinc/79/26/57/1119792657.db2.gz RHPYBUXYLFWNOU-LBPRGKRZSA-N 1 1 350.281 4.373 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000494239836 1119802122 /nfs/dbraw/zinc/80/21/22/1119802122.db2.gz ACCCXPVLPWJDSI-GXDHUFHOSA-N 1 1 353.491 4.210 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000494239836 1119802126 /nfs/dbraw/zinc/80/21/26/1119802126.db2.gz ACCCXPVLPWJDSI-GXDHUFHOSA-N 1 1 353.491 4.210 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000494267966 1119816798 /nfs/dbraw/zinc/81/67/98/1119816798.db2.gz KUYPBPUBMLUNEW-UKYUDJEDSA-N 1 1 351.450 4.130 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000494267966 1119816804 /nfs/dbraw/zinc/81/68/04/1119816804.db2.gz KUYPBPUBMLUNEW-UKYUDJEDSA-N 1 1 351.450 4.130 20 30 FIEDMO CCc1nc(C)c(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)o1 ZINC000494356363 1119834577 /nfs/dbraw/zinc/83/45/77/1119834577.db2.gz KFCWOJGLJMWVFM-UHFFFAOYSA-N 1 1 361.445 4.286 20 30 FIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000609204358 1119860565 /nfs/dbraw/zinc/86/05/65/1119860565.db2.gz JLVIXZHFFIRZLD-JKSUJKDBSA-N 1 1 361.917 4.486 20 30 FIEDMO C=C1CCC(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127294650 1119972666 /nfs/dbraw/zinc/97/26/66/1119972666.db2.gz VSPIGIWEYJOUGF-HXUWFJFHSA-N 1 1 364.493 4.015 20 30 FIEDMO N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000494608672 1119990320 /nfs/dbraw/zinc/99/03/20/1119990320.db2.gz KYLYRBFUSOVJFD-QGZVFWFLSA-N 1 1 353.853 4.062 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001127308306 1120334762 /nfs/dbraw/zinc/33/47/62/1120334762.db2.gz HUNCGMIATPGKDS-FBBABVLZSA-N 1 1 357.542 4.051 20 30 FIEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001127308306 1120334769 /nfs/dbraw/zinc/33/47/69/1120334769.db2.gz HUNCGMIATPGKDS-FBBABVLZSA-N 1 1 357.542 4.051 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000495148287 1120508455 /nfs/dbraw/zinc/50/84/55/1120508455.db2.gz MZJMWRUAVRIKQG-UHFFFAOYSA-N 1 1 363.383 4.416 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000495148287 1120508462 /nfs/dbraw/zinc/50/84/62/1120508462.db2.gz MZJMWRUAVRIKQG-UHFFFAOYSA-N 1 1 363.383 4.416 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000914785232 1120537077 /nfs/dbraw/zinc/53/70/77/1120537077.db2.gz UKXPYCCSPTXBQW-NVXWUHKLSA-N 1 1 357.527 4.130 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S 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ZINC000917071265 1122079060 /nfs/dbraw/zinc/07/90/60/1122079060.db2.gz PUBSNYLFSFWVQR-MRXNPFEDSA-N 1 1 373.547 4.384 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2cccc3c2C[N@H+](CCC)C3)cc1OC ZINC000066761358 1122093062 /nfs/dbraw/zinc/09/30/62/1122093062.db2.gz YZLCESQJPJKSJO-UHFFFAOYSA-N 1 1 366.461 4.238 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)cc1OC ZINC000066761358 1122093071 /nfs/dbraw/zinc/09/30/71/1122093071.db2.gz YZLCESQJPJKSJO-UHFFFAOYSA-N 1 1 366.461 4.238 20 30 FIEDMO C[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000917400475 1122290002 /nfs/dbraw/zinc/29/00/02/1122290002.db2.gz WNMITERZKLYDFO-LJQANCHMSA-N 1 1 363.505 4.101 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594125 1122303077 /nfs/dbraw/zinc/30/30/77/1122303077.db2.gz QKGINSUQURTSMK-MBSDFSHPSA-N 1 1 363.505 4.455 20 30 FIEDMO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000556205163 1122730183 /nfs/dbraw/zinc/73/01/83/1122730183.db2.gz 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ZINC000072960523 1124587528 /nfs/dbraw/zinc/58/75/28/1124587528.db2.gz VVRGSXKAKIYOGO-UHFFFAOYSA-N 1 1 352.409 4.028 20 30 FIEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198393225 1124715717 /nfs/dbraw/zinc/71/57/17/1124715717.db2.gz VHQARPCIAICYDG-ZDUSSCGKSA-N 1 1 371.481 4.269 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000074022389 1124746289 /nfs/dbraw/zinc/74/62/89/1124746289.db2.gz OSYIVMQRCSMCBF-UHFFFAOYSA-N 1 1 359.520 4.021 20 30 FIEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C(N)=O)cc1 ZINC000161533846 1124884415 /nfs/dbraw/zinc/88/44/15/1124884415.db2.gz CBDUEGIYHKWEKB-NRFANRHFSA-N 1 1 373.481 4.026 20 30 FIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000112374194 1124986271 /nfs/dbraw/zinc/98/62/71/1124986271.db2.gz HMLXNWRFJFPVLD-UHFFFAOYSA-N 1 1 351.494 4.312 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(C#N)c1C ZINC000076812180 1125043790 /nfs/dbraw/zinc/04/37/90/1125043790.db2.gz YKZPAEOZWYCUSM-RVSPLBMKSA-N 1 1 369.440 4.112 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(C#N)c1C ZINC000076812180 1125043800 /nfs/dbraw/zinc/04/38/00/1125043800.db2.gz YKZPAEOZWYCUSM-RVSPLBMKSA-N 1 1 369.440 4.112 20 30 FIEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C ZINC000091376916 1125069473 /nfs/dbraw/zinc/06/94/73/1125069473.db2.gz IWTQLGIHEYMGJH-CQSZACIVSA-N 1 1 357.379 4.294 20 30 FIEDMO Cc1cnc([C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)s1 ZINC000181820249 1125143666 /nfs/dbraw/zinc/14/36/66/1125143666.db2.gz AUKPZHJTTGJDAE-FQEVSTJZSA-N 1 1 366.534 4.029 20 30 FIEDMO Cc1ccc2ncc(C#N)c(N3CCC(c4[nH+]cc5n4CCCC5)CC3)c2c1 ZINC000330179474 1125237539 /nfs/dbraw/zinc/23/75/39/1125237539.db2.gz MLXQBICILCPNIA-UHFFFAOYSA-N 1 1 371.488 4.332 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000618758533 1125271801 /nfs/dbraw/zinc/27/18/01/1125271801.db2.gz MHFCEXIGYHCCTN-SFHVURJKSA-N 1 1 353.441 4.065 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1OCCCC#N ZINC000093324882 1125301474 /nfs/dbraw/zinc/30/14/74/1125301474.db2.gz JMZVUCBPGPHXOR-QGZVFWFLSA-N 1 1 368.477 4.146 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000093388438 1125317841 /nfs/dbraw/zinc/31/78/41/1125317841.db2.gz NVDNLFDIDHFKPE-HSZRJFAPSA-N 1 1 364.489 4.241 20 30 FIEDMO COc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)cc1OCCCC#N ZINC000093438780 1125362713 /nfs/dbraw/zinc/36/27/13/1125362713.db2.gz HLCDNSRRYBMIDO-NRFANRHFSA-N 1 1 364.489 4.367 20 30 FIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000619073740 1125445832 /nfs/dbraw/zinc/44/58/32/1125445832.db2.gz WKOAVPISTJEVEJ-QFIPXVFZSA-N 1 1 371.488 4.368 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000022850413 211366516 /nfs/dbraw/zinc/36/65/16/211366516.db2.gz ZFRMMFAFNIBPFL-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188554579 567939301 /nfs/dbraw/zinc/93/93/01/567939301.db2.gz VJLIRDXXJXYMMF-POZUXBRTSA-N 1 1 352.881 4.190 20 30 FIEDMO C=CCCSCC[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000602709187 568018675 /nfs/dbraw/zinc/01/86/75/568018675.db2.gz HHNYOMXTSFEEIN-UHFFFAOYSA-N 1 1 361.536 4.227 20 30 FIEDMO CN(C)Cc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481669183 568080990 /nfs/dbraw/zinc/08/09/90/568080990.db2.gz MWZANPIDTOAKSF-QFIPXVFZSA-N 1 1 351.469 4.316 20 30 FIEDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000481662315 568081887 /nfs/dbraw/zinc/08/18/87/568081887.db2.gz CWLNFGCSMIGXAB-LEOXJPRUSA-N 1 1 369.553 4.052 20 30 FIEDMO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000481662315 568081888 /nfs/dbraw/zinc/08/18/88/568081888.db2.gz CWLNFGCSMIGXAB-LEOXJPRUSA-N 1 1 369.553 4.052 20 30 FIEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000603840573 568154078 /nfs/dbraw/zinc/15/40/78/568154078.db2.gz MFTDMRAISXBRKY-GMAHTHKFSA-N 1 1 364.489 4.110 20 30 FIEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000603855178 568167739 /nfs/dbraw/zinc/16/77/39/568167739.db2.gz DFPFPFZTSAXBTQ-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000603855178 568167740 /nfs/dbraw/zinc/16/77/40/568167740.db2.gz DFPFPFZTSAXBTQ-SFHVURJKSA-N 1 1 359.901 4.162 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000603882134 568176476 /nfs/dbraw/zinc/17/64/76/568176476.db2.gz LZFUMYVXMDAJKN-VQIMIIECSA-N 1 1 353.491 4.220 20 30 FIEDMO CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nnc2n1CCCCC2 ZINC000481916495 568182612 /nfs/dbraw/zinc/18/26/12/568182612.db2.gz DUTFBJHPZZMIMR-PMACEKPBSA-N 1 1 363.509 4.385 20 30 FIEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000007905489 568264613 /nfs/dbraw/zinc/26/46/13/568264613.db2.gz VKYCHUVACNYTOF-UHFFFAOYSA-N 1 1 367.518 4.496 20 30 FIEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000007905489 568264614 /nfs/dbraw/zinc/26/46/14/568264614.db2.gz VKYCHUVACNYTOF-UHFFFAOYSA-N 1 1 367.518 4.496 20 30 FIEDMO N#Cc1c(C(F)F)cccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569239179 568317283 /nfs/dbraw/zinc/31/72/83/568317283.db2.gz VAYZZNFPCWHOGM-CQSZACIVSA-N 1 1 356.420 4.413 20 30 FIEDMO Cc1c(C#N)c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc12 ZINC000569544554 568403691 /nfs/dbraw/zinc/40/36/91/568403691.db2.gz GUVDJAHOOMZVDI-KRWDZBQOSA-N 1 1 371.488 4.332 20 30 FIEDMO C=CC[NH+]1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC001165031502 721866398 /nfs/dbraw/zinc/86/63/98/721866398.db2.gz MOCXWIMRFMGDMV-UHFFFAOYSA-N 1 1 356.473 4.119 20 30 FIEDMO N#Cc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000312965386 1125519279 /nfs/dbraw/zinc/51/92/79/1125519279.db2.gz UOWOIOPTOLIWFT-GOSISDBHSA-N 1 1 364.449 4.181 20 30 FIEDMO N#CC1(CCC[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCOCC1 ZINC000619620866 1125641782 /nfs/dbraw/zinc/64/17/82/1125641782.db2.gz QOMUKNXANRMMAO-LJQANCHMSA-N 1 1 351.494 4.448 20 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/nfs/dbraw/zinc/67/79/08/1079677908.db2.gz QEGADFMISZKXQM-UHFFFAOYSA-N 1 1 359.967 4.425 20 30 FIEDMO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2F)c(C#N)c1C ZINC000186887706 1079678087 /nfs/dbraw/zinc/67/80/87/1079678087.db2.gz LZMURYMIKVLDOD-UHFFFAOYSA-N 1 1 363.820 4.024 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728196350 1079945757 /nfs/dbraw/zinc/94/57/57/1079945757.db2.gz QAWPGYRDPBLSPK-OAQYLSRUSA-N 1 1 361.489 4.052 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728196350 1079945760 /nfs/dbraw/zinc/94/57/60/1079945760.db2.gz QAWPGYRDPBLSPK-OAQYLSRUSA-N 1 1 361.489 4.052 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430241202 1080066568 /nfs/dbraw/zinc/06/65/68/1080066568.db2.gz GBZNDKSBMNKOOF-UHFFFAOYSA-N 1 1 359.473 4.383 20 30 FIEDMO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208860277 1080191892 /nfs/dbraw/zinc/19/18/92/1080191892.db2.gz JDMATKVGYCDMJO-YLJYHZDGSA-N 1 1 371.525 4.116 20 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1080911229 /nfs/dbraw/zinc/91/12/29/1080911229.db2.gz IEIHOIJHECMTAD-IBGZPJMESA-N 1 1 366.465 4.040 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001167251870 1080911836 /nfs/dbraw/zinc/91/18/36/1080911836.db2.gz MJPLWDJGSCCUAW-QFIPXVFZSA-N 1 1 361.489 4.296 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001167251870 1080911842 /nfs/dbraw/zinc/91/18/42/1080911842.db2.gz MJPLWDJGSCCUAW-QFIPXVFZSA-N 1 1 361.489 4.296 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000579992233 1081378266 /nfs/dbraw/zinc/37/82/66/1081378266.db2.gz ZCTXXVOBDRZHNW-IRXDYDNUSA-N 1 1 369.534 4.065 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2Br)cc1 ZINC000160380688 1081598796 /nfs/dbraw/zinc/59/87/96/1081598796.db2.gz RBNQVAOLELYRRN-AWEZNQCLSA-N 1 1 359.267 4.372 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2Br)cc1 ZINC000160380688 1081598807 /nfs/dbraw/zinc/59/88/07/1081598807.db2.gz RBNQVAOLELYRRN-AWEZNQCLSA-N 1 1 359.267 4.372 20 30 FIEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000728288028 1081747409 /nfs/dbraw/zinc/74/74/09/1081747409.db2.gz VHSSHTIQZFHNSO-AWEZNQCLSA-N 1 1 360.379 4.318 20 30 FIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000728288028 1081747412 /nfs/dbraw/zinc/74/74/12/1081747412.db2.gz VHSSHTIQZFHNSO-AWEZNQCLSA-N 1 1 360.379 4.318 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246571994 1081756520 /nfs/dbraw/zinc/75/65/20/1081756520.db2.gz SPIHSVQJMPMUCF-JQVVWYNYSA-N 1 1 363.505 4.120 20 30 FIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001167386371 1081904154 /nfs/dbraw/zinc/90/41/54/1081904154.db2.gz DARRNXDMESRWFF-GOSISDBHSA-N 1 1 352.478 4.289 20 30 FIEDMO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000064940611 1081950549 /nfs/dbraw/zinc/95/05/49/1081950549.db2.gz MQWBIEMHQVCLDY-IAGOWNOFSA-N 1 1 355.482 4.214 20 30 FIEDMO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1ccc(OC)cc1 ZINC000078390592 1081951304 /nfs/dbraw/zinc/95/13/04/1081951304.db2.gz CSSHGFNLTZTWQH-QGZVFWFLSA-N 1 1 372.538 4.106 20 30 FIEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC001203399389 1082077770 /nfs/dbraw/zinc/07/77/70/1082077770.db2.gz WMDJJFZVALLQDF-LJQANCHMSA-N 1 1 366.864 4.090 20 30 FIEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC001203399389 1082077780 /nfs/dbraw/zinc/07/77/80/1082077780.db2.gz WMDJJFZVALLQDF-LJQANCHMSA-N 1 1 366.864 4.090 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C ZINC001167434833 1082141638 /nfs/dbraw/zinc/14/16/38/1082141638.db2.gz ZMPFWRKQFFEJJX-SVFBPWRDSA-N 1 1 353.510 4.203 20 30 FIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1F ZINC000127985913 1082288407 /nfs/dbraw/zinc/28/84/07/1082288407.db2.gz QEOSAIDVIHSYOL-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001167447477 1082331553 /nfs/dbraw/zinc/33/15/53/1082331553.db2.gz MEEAVBUTLYAVSY-VQTJNVASSA-N 1 1 371.525 4.438 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000177964988 1082445731 /nfs/dbraw/zinc/44/57/31/1082445731.db2.gz YICRENGLWCHKBZ-YXBWYFRISA-N 1 1 365.521 4.075 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(C#N)cs2)c1 ZINC000084109274 1082585579 /nfs/dbraw/zinc/58/55/79/1082585579.db2.gz FYPBRGJDFLXJMB-UHFFFAOYSA-N 1 1 350.447 4.240 20 30 FIEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811740 1082855389 /nfs/dbraw/zinc/85/53/89/1082855389.db2.gz AJUPPTZHPDPRQU-VQIMIIECSA-N 1 1 364.892 4.335 20 30 FIEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000134664708 1082983349 /nfs/dbraw/zinc/98/33/49/1082983349.db2.gz RDVOVIASYSNPNC-CRAIPNDOSA-N 1 1 362.901 4.069 20 30 FIEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000134664708 1082983352 /nfs/dbraw/zinc/98/33/52/1082983352.db2.gz RDVOVIASYSNPNC-CRAIPNDOSA-N 1 1 362.901 4.069 20 30 FIEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000134671492 1082984403 /nfs/dbraw/zinc/98/44/03/1082984403.db2.gz RIQBJHNVEPVKLA-QAPCUYQASA-N 1 1 362.901 4.069 20 30 FIEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000134671492 1082984407 /nfs/dbraw/zinc/98/44/07/1082984407.db2.gz RIQBJHNVEPVKLA-QAPCUYQASA-N 1 1 362.901 4.069 20 30 FIEDMO COc1ccccc1-n1nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000430753489 1083151059 /nfs/dbraw/zinc/15/10/59/1083151059.db2.gz KTPQTDMLFDYIQQ-UHFFFAOYSA-N 1 1 370.456 4.042 20 30 FIEDMO COc1ccccc1-n1nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000430753489 1083151061 /nfs/dbraw/zinc/15/10/61/1083151061.db2.gz KTPQTDMLFDYIQQ-UHFFFAOYSA-N 1 1 370.456 4.042 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(C#N)cs1 ZINC000510557428 1083162987 /nfs/dbraw/zinc/16/29/87/1083162987.db2.gz DXWKPXGMYLPODN-UHFFFAOYSA-N 1 1 354.454 4.214 20 30 FIEDMO COc1ccc(F)c(F)c1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001143412096 1083323453 /nfs/dbraw/zinc/32/34/53/1083323453.db2.gz HFJLVEZBYAPMRO-UHFFFAOYSA-N 1 1 356.416 4.300 20 30 FIEDMO COCC[N@H+](CCCC(C)(C)C#N)Cc1sccc1Br ZINC000191430689 1083372452 /nfs/dbraw/zinc/37/24/52/1083372452.db2.gz DQXAIINJMMIJTA-UHFFFAOYSA-N 1 1 359.333 4.289 20 30 FIEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1sccc1Br ZINC000191430689 1083372476 /nfs/dbraw/zinc/37/24/76/1083372476.db2.gz DQXAIINJMMIJTA-UHFFFAOYSA-N 1 1 359.333 4.289 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320249 1083376940 /nfs/dbraw/zinc/37/69/40/1083376940.db2.gz RSHSKVVUEYHFRD-INIZCTEOSA-N 1 1 353.422 4.296 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c1C#N ZINC000548865346 1083385991 /nfs/dbraw/zinc/38/59/91/1083385991.db2.gz ATUWCEPORRCOPP-RNODOKPDSA-N 1 1 354.837 4.023 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c1C#N ZINC000548865347 1083386354 /nfs/dbraw/zinc/38/63/54/1083386354.db2.gz ATUWCEPORRCOPP-XCLFUZPHSA-N 1 1 354.837 4.023 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)Cc1cccc(C#N)c1 ZINC000092504551 1083413255 /nfs/dbraw/zinc/41/32/55/1083413255.db2.gz ZGXYHMUFHZDPFB-UHFFFAOYSA-N 1 1 374.444 4.017 20 30 FIEDMO Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179414634 1083450405 /nfs/dbraw/zinc/45/04/05/1083450405.db2.gz MWUNEWWHZIXDGH-UHFFFAOYSA-N 1 1 353.853 4.123 20 30 FIEDMO Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179414634 1083450422 /nfs/dbraw/zinc/45/04/22/1083450422.db2.gz MWUNEWWHZIXDGH-UHFFFAOYSA-N 1 1 353.853 4.123 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000610770871 1083473454 /nfs/dbraw/zinc/47/34/54/1083473454.db2.gz PUOVEEBFENZVMU-LJQANCHMSA-N 1 1 374.444 4.255 20 30 FIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093868947 1083502176 /nfs/dbraw/zinc/50/21/76/1083502176.db2.gz NZZFFRTTXZMBOL-ZWKOTPCHSA-N 1 1 362.539 4.484 20 30 FIEDMO COc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cc1C#N ZINC000375830407 1083658945 /nfs/dbraw/zinc/65/89/45/1083658945.db2.gz OCXXCEFGWFZNDX-LJQANCHMSA-N 1 1 350.466 4.046 20 30 FIEDMO CC[C@@H](C)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000612270532 1083670166 /nfs/dbraw/zinc/67/01/66/1083670166.db2.gz IBYHBTFSRHZWFT-LJQANCHMSA-N 1 1 355.526 4.199 20 30 FIEDMO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000612406589 1083774040 /nfs/dbraw/zinc/77/40/40/1083774040.db2.gz PYLRSKKKKQFNAM-QFIPXVFZSA-N 1 1 350.462 4.496 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000612406589 1083774050 /nfs/dbraw/zinc/77/40/50/1083774050.db2.gz PYLRSKKKKQFNAM-QFIPXVFZSA-N 1 1 350.462 4.496 20 30 FIEDMO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000365139920 1083795405 /nfs/dbraw/zinc/79/54/05/1083795405.db2.gz QJJPMKDUNMLOIW-INIZCTEOSA-N 1 1 359.477 4.423 20 30 FIEDMO CCO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000610930462 1083850750 /nfs/dbraw/zinc/85/07/50/1083850750.db2.gz LCUJWNAMEYDPPG-JOCHJYFZSA-N 1 1 350.462 4.138 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179932406 1083904959 /nfs/dbraw/zinc/90/49/59/1083904959.db2.gz AAZWRRLFIUZGNZ-NRFANRHFSA-N 1 1 360.436 4.435 20 30 FIEDMO Cc1cc(C[N@@H+](C)Cc2ccnc(C#N)c2)cc(C)c1OCC(F)(F)F ZINC000610991873 1083937464 /nfs/dbraw/zinc/93/74/64/1083937464.db2.gz VFFUZQHFHJSZSQ-UHFFFAOYSA-N 1 1 363.383 4.143 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000187700246 1084037150 /nfs/dbraw/zinc/03/71/50/1084037150.db2.gz MNZUAERVFJSNCQ-GFCCVEGCSA-N 1 1 360.360 4.081 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000187700246 1084037160 /nfs/dbraw/zinc/03/71/60/1084037160.db2.gz MNZUAERVFJSNCQ-GFCCVEGCSA-N 1 1 360.360 4.081 20 30 FIEDMO CCc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000538955954 1084260560 /nfs/dbraw/zinc/26/05/60/1084260560.db2.gz MKXQGEPOLYSUNB-UHFFFAOYSA-N 1 1 359.473 4.239 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C 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ZNROZYFVZVSTLX-UHFFFAOYSA-N 1 1 354.457 4.248 20 30 FIEDMO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000511475388 1084558273 /nfs/dbraw/zinc/55/82/73/1084558273.db2.gz OLYSCGYRJRQCRR-IBGZPJMESA-N 1 1 367.537 4.199 20 30 FIEDMO Cc1[nH+]c2c(n1CC(=O)Nc1ccccc1S[C@H](C)CC#N)CCCC2 ZINC000582073793 1084570056 /nfs/dbraw/zinc/57/00/56/1084570056.db2.gz PUGLGKDYFOGLQV-CQSZACIVSA-N 1 1 368.506 4.103 20 30 FIEDMO N#CCCC[N@@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472164020 1084631186 /nfs/dbraw/zinc/63/11/86/1084631186.db2.gz RJWXPJWIXOZKCP-UHFFFAOYSA-N 1 1 365.315 4.250 20 30 FIEDMO N#Cc1ccccc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000072073594 1084636351 /nfs/dbraw/zinc/63/63/51/1084636351.db2.gz DULPMBFHKZLSBJ-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511075890 1084642484 /nfs/dbraw/zinc/64/24/84/1084642484.db2.gz UGEBTOUEFRUGQT-OAQYLSRUSA-N 1 1 369.415 4.059 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178533808 1084644401 /nfs/dbraw/zinc/64/44/01/1084644401.db2.gz MENHTRBHIMEKBL-OXQOHEQNSA-N 1 1 362.477 4.041 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1Cl ZINC000174111783 1084729043 /nfs/dbraw/zinc/72/90/43/1084729043.db2.gz NLNMCHVSGGKJBE-CABCVRRESA-N 1 1 373.859 4.465 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000174111794 1084729191 /nfs/dbraw/zinc/72/91/91/1084729191.db2.gz NLNMCHVSGGKJBE-LSDHHAIUSA-N 1 1 373.859 4.465 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C#N)CCCCC2)c1 ZINC000170627603 1084793699 /nfs/dbraw/zinc/79/36/99/1084793699.db2.gz JJYKKFKZBSSLLW-UHFFFAOYSA-N 1 1 361.489 4.275 20 30 FIEDMO C=CCCn1cc(C[NH2+]Cc2ccc(N(CC)c3ccccc3)cc2)nn1 ZINC000657375988 1084804987 /nfs/dbraw/zinc/80/49/87/1084804987.db2.gz HACRGGYNKQUMCI-UHFFFAOYSA-N 1 1 361.493 4.302 20 30 FIEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000472211778 1084855950 /nfs/dbraw/zinc/85/59/50/1084855950.db2.gz GZFUSIBPAYJYEE-UHFFFAOYSA-N 1 1 365.477 4.007 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180208242 1084894228 /nfs/dbraw/zinc/89/42/28/1084894228.db2.gz MRRCXVLROFJZRX-JOCHJYFZSA-N 1 1 371.488 4.035 20 30 FIEDMO O[C@H](c1ccc(F)cc1)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135063500 1084934771 /nfs/dbraw/zinc/93/47/71/1084934771.db2.gz LNNLKHNWLBGWMM-OAQYLSRUSA-N 1 1 357.856 4.276 20 30 FIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nnc1-c1ccc(Cl)cc1 ZINC000511108764 1084935614 /nfs/dbraw/zinc/93/56/14/1084935614.db2.gz ROXUFOCADFOUMD-UHFFFAOYSA-N 1 1 373.913 4.472 20 30 FIEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511126546 1085011079 /nfs/dbraw/zinc/01/10/79/1085011079.db2.gz YOXVTFOVGQFTME-UHFFFAOYSA-N 1 1 364.367 4.010 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093159064 1085378542 /nfs/dbraw/zinc/37/85/42/1085378542.db2.gz NVYXEEBMLKZTJT-UHFFFAOYSA-N 1 1 365.506 4.174 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093159064 1085378555 /nfs/dbraw/zinc/37/85/55/1085378555.db2.gz NVYXEEBMLKZTJT-UHFFFAOYSA-N 1 1 365.506 4.174 20 30 FIEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000661379730 1085542640 /nfs/dbraw/zinc/54/26/40/1085542640.db2.gz HLJWRMGZZAIWKZ-LBPRGKRZSA-N 1 1 351.372 4.142 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000661379730 1085542649 /nfs/dbraw/zinc/54/26/49/1085542649.db2.gz HLJWRMGZZAIWKZ-LBPRGKRZSA-N 1 1 351.372 4.142 20 30 FIEDMO CCc1nc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cs1 ZINC000066906012 1085761895 /nfs/dbraw/zinc/76/18/95/1085761895.db2.gz XGMLNJYLAVOOSG-UHFFFAOYSA-N 1 1 363.486 4.446 20 30 FIEDMO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000198386081 1085867449 /nfs/dbraw/zinc/86/74/49/1085867449.db2.gz MNHDZSLNLHLPKI-UHFFFAOYSA-N 1 1 371.531 4.187 20 30 FIEDMO COC(=O)c1cccc(-c2ccc(NCc3ccccc3C#N)[nH+]c2C)c1 ZINC001167634080 1085879381 /nfs/dbraw/zinc/87/93/81/1085879381.db2.gz SYRFZLLFWYBUHX-UHFFFAOYSA-N 1 1 357.413 4.327 20 30 FIEDMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CCC#N)CC1 ZINC000582962698 1085967570 /nfs/dbraw/zinc/96/75/70/1085967570.db2.gz UAELOQHGBJIZAJ-INIZCTEOSA-N 1 1 374.554 4.213 20 30 FIEDMO C=CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC001126183435 1085993114 /nfs/dbraw/zinc/99/31/14/1085993114.db2.gz QKNVLUZGNYIJHP-FGZHOGPDSA-N 1 1 354.538 4.205 20 30 FIEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000728538378 1086034412 /nfs/dbraw/zinc/03/44/12/1086034412.db2.gz HEBXJSITHSPAQR-FQEVSTJZSA-N 1 1 364.464 4.072 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000093872321 1086237254 /nfs/dbraw/zinc/23/72/54/1086237254.db2.gz YMYZNBPOSPLIMA-TZIWHRDSSA-N 1 1 360.436 4.488 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000093872321 1086237268 /nfs/dbraw/zinc/23/72/68/1086237268.db2.gz YMYZNBPOSPLIMA-TZIWHRDSSA-N 1 1 360.436 4.488 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154103080 1086297958 /nfs/dbraw/zinc/29/79/58/1086297958.db2.gz DKVCYIYLFIIPSY-OPAMFIHVSA-N 1 1 361.420 4.391 20 30 FIEDMO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(C#N)cc1 ZINC000535956689 1086374541 /nfs/dbraw/zinc/37/45/41/1086374541.db2.gz OXGVKBGXEHRCFA-GFCCVEGCSA-N 1 1 372.259 4.297 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728559793 1086514093 /nfs/dbraw/zinc/51/40/93/1086514093.db2.gz JVYXJCLCBLQMSH-GOSISDBHSA-N 1 1 354.523 4.023 20 30 FIEDMO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728559793 1086514105 /nfs/dbraw/zinc/51/41/05/1086514105.db2.gz JVYXJCLCBLQMSH-GOSISDBHSA-N 1 1 354.523 4.023 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000289706322 1086525196 /nfs/dbraw/zinc/52/51/96/1086525196.db2.gz OTDXOMVQLURZRW-AVRDEDQJSA-N 1 1 371.488 4.442 20 30 FIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](Cc4ccsc4)CC3)c2c1 ZINC000536019462 1086675025 /nfs/dbraw/zinc/67/50/25/1086675025.db2.gz ZOTBCYREALHSFI-UHFFFAOYSA-N 1 1 362.502 4.107 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c(Br)c1 ZINC000585755766 1086689100 /nfs/dbraw/zinc/68/91/00/1086689100.db2.gz JYKOSUFBRPIOAM-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1Cl ZINC000329509706 1086998722 /nfs/dbraw/zinc/99/87/22/1086998722.db2.gz BGVNBHLTKAPGIA-CYBMUJFWSA-N 1 1 352.862 4.067 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)cc1Cl ZINC000052803811 1087169581 /nfs/dbraw/zinc/16/95/81/1087169581.db2.gz ZVULNXZIKUCLRP-KRWDZBQOSA-N 1 1 359.882 4.439 20 30 FIEDMO CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201685 1087217471 /nfs/dbraw/zinc/21/74/71/1087217471.db2.gz GHJDPTDNOWERLR-MRXNPFEDSA-N 1 1 353.432 4.035 20 30 FIEDMO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)cc1C#N ZINC000708569660 1087587760 /nfs/dbraw/zinc/58/77/60/1087587760.db2.gz JFBQFEDOWDUZHL-KSSFIOAISA-N 1 1 354.885 4.095 20 30 FIEDMO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Cl)cc1C#N ZINC000708569659 1087587852 /nfs/dbraw/zinc/58/78/52/1087587852.db2.gz JFBQFEDOWDUZHL-KDOFPFPSSA-N 1 1 354.885 4.095 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001125755404 1087613586 /nfs/dbraw/zinc/61/35/86/1087613586.db2.gz JALWPQRDRYXWPF-LJQANCHMSA-N 1 1 350.462 4.102 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000685540529 1087615039 /nfs/dbraw/zinc/61/50/39/1087615039.db2.gz YBGOAFHJXFUGFB-AZUAARDMSA-N 1 1 367.541 4.077 20 30 FIEDMO CO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000611984133 1087680983 /nfs/dbraw/zinc/68/09/83/1087680983.db2.gz KMJSTWDVHLLARF-NRFANRHFSA-N 1 1 350.462 4.138 20 30 FIEDMO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000664373403 1087729221 /nfs/dbraw/zinc/72/92/21/1087729221.db2.gz GNOAPYMSPIVMOG-WMZOPIPTSA-N 1 1 352.482 4.239 20 30 FIEDMO CC(C)C[C@](C)(C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000504567267 1087729759 /nfs/dbraw/zinc/72/97/59/1087729759.db2.gz APBCIOKAWNCDQP-HSZRJFAPSA-N 1 1 363.505 4.377 20 30 FIEDMO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)nn1 ZINC000424294324 1087901792 /nfs/dbraw/zinc/90/17/92/1087901792.db2.gz KOCWYFKRWGWEBD-QGZVFWFLSA-N 1 1 352.404 4.360 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504888787 1087963607 /nfs/dbraw/zinc/96/36/07/1087963607.db2.gz LHYBVMQCSOVQBH-LJQANCHMSA-N 1 1 369.534 4.110 20 30 FIEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177527142 1088349991 /nfs/dbraw/zinc/34/99/91/1088349991.db2.gz BHGFKKQXILPJRL-WMZOPIPTSA-N 1 1 365.502 4.119 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)CC(F)(F)F)cc1 ZINC000189612307 1088536895 /nfs/dbraw/zinc/53/68/95/1088536895.db2.gz JKZJKPVLOGGQDP-SFHVURJKSA-N 1 1 366.358 4.013 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1OCCCC#N ZINC000589192558 1088562557 /nfs/dbraw/zinc/56/25/57/1088562557.db2.gz JUHWSCYQJVPXMW-IBGZPJMESA-N 1 1 351.450 4.110 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189740975 1088617330 /nfs/dbraw/zinc/61/73/30/1088617330.db2.gz YJOYJQNDTALUNF-RBUKOAKNSA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189740975 1088617343 /nfs/dbraw/zinc/61/73/43/1088617343.db2.gz YJOYJQNDTALUNF-RBUKOAKNSA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000189795341 1088642416 /nfs/dbraw/zinc/64/24/16/1088642416.db2.gz SZPUVLADCVHRSY-QGZVFWFLSA-N 1 1 374.897 4.142 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000189885799 1088665486 /nfs/dbraw/zinc/66/54/86/1088665486.db2.gz CWCCJCCYYOYYJE-AUUYWEPGSA-N 1 1 353.853 4.010 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000189885799 1088665493 /nfs/dbraw/zinc/66/54/93/1088665493.db2.gz CWCCJCCYYOYYJE-AUUYWEPGSA-N 1 1 353.853 4.010 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000514128834 1088775128 /nfs/dbraw/zinc/77/51/28/1088775128.db2.gz OODFGIBSSNAINN-NRFANRHFSA-N 1 1 354.519 4.190 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000514120380 1088788834 /nfs/dbraw/zinc/78/88/34/1088788834.db2.gz IRDUPQMNNBUWNZ-QGZVFWFLSA-N 1 1 353.293 4.331 20 30 FIEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000549116946 1088836997 /nfs/dbraw/zinc/83/69/97/1088836997.db2.gz SOUCOPQJVYOBIL-UHFFFAOYSA-N 1 1 354.425 4.036 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000549165334 1089085519 /nfs/dbraw/zinc/08/55/19/1089085519.db2.gz LCBSWVDVFRQOIO-JOCHJYFZSA-N 1 1 350.481 4.068 20 30 FIEDMO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000549165334 1089085537 /nfs/dbraw/zinc/08/55/37/1089085537.db2.gz LCBSWVDVFRQOIO-JOCHJYFZSA-N 1 1 350.481 4.068 20 30 FIEDMO CCOc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C(C)C)cc1 ZINC000434893024 1089097078 /nfs/dbraw/zinc/09/70/78/1089097078.db2.gz XUNFKMAQDVFNCL-UHFFFAOYSA-N 1 1 369.465 4.016 20 30 FIEDMO CCOc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C(C)C)cc1 ZINC000434893024 1089097095 /nfs/dbraw/zinc/09/70/95/1089097095.db2.gz XUNFKMAQDVFNCL-UHFFFAOYSA-N 1 1 369.465 4.016 20 30 FIEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000434902730 1089122711 /nfs/dbraw/zinc/12/27/11/1089122711.db2.gz JGUBJFYEDHQNEE-KDOFPFPSSA-N 1 1 353.853 4.028 20 30 FIEDMO Cc1cc(Cl)c2ncc(C#N)c(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000549200354 1089219587 /nfs/dbraw/zinc/21/95/87/1089219587.db2.gz RKWKDKBVFHCEDD-UHFFFAOYSA-N 1 1 365.868 4.256 20 30 FIEDMO C[C@H](CCC#N)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000472746426 1089268818 /nfs/dbraw/zinc/26/88/18/1089268818.db2.gz FQBDYXSLZNCNMW-QGZVFWFLSA-N 1 1 369.459 4.364 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000480752383 1089279866 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CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000500178170 1091084747 /nfs/dbraw/zinc/08/47/47/1091084747.db2.gz DBYZOZAHRNUTTB-OAQYLSRUSA-N 1 1 369.896 4.157 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(Cl)cc(C(F)(F)F)c1C#N ZINC001167749058 1091099768 /nfs/dbraw/zinc/09/97/68/1091099768.db2.gz WSIUQPZXPQVLHQ-NSHDSACASA-N 1 1 360.811 4.302 20 30 FIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000500240168 1091136026 /nfs/dbraw/zinc/13/60/26/1091136026.db2.gz VKTQXPAZSZAGKQ-UWJYYQICSA-N 1 1 372.896 4.280 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860232 1091345389 /nfs/dbraw/zinc/34/53/89/1091345389.db2.gz ZCTMVNBNGDCPJS-AHRSYUTCSA-N 1 1 358.844 4.284 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860232 1091345398 /nfs/dbraw/zinc/34/53/98/1091345398.db2.gz ZCTMVNBNGDCPJS-AHRSYUTCSA-N 1 1 358.844 4.284 20 30 FIEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(F)c1 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353.853 4.448 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2ccccc2[nH]c1=O ZINC000512561834 1092932258 /nfs/dbraw/zinc/93/22/58/1092932258.db2.gz MPRNMJITARFGPB-UHFFFAOYSA-N 1 1 350.466 4.296 20 30 FIEDMO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000512655857 1093090357 /nfs/dbraw/zinc/09/03/57/1093090357.db2.gz WXUJAGYQJRXWRP-OPAMFIHVSA-N 1 1 369.484 4.440 20 30 FIEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655818 1093091478 /nfs/dbraw/zinc/09/14/78/1093091478.db2.gz WRWOQUCAZGOWNL-UWVAXJGDSA-N 1 1 351.469 4.401 20 30 FIEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655818 1093091485 /nfs/dbraw/zinc/09/14/85/1093091485.db2.gz WRWOQUCAZGOWNL-UWVAXJGDSA-N 1 1 351.469 4.401 20 30 FIEDMO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614185899 1093092745 /nfs/dbraw/zinc/09/27/45/1093092745.db2.gz DXTVHNYAVLTIFK-KRWDZBQOSA-N 1 1 353.535 4.428 20 30 FIEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614185899 1093092754 /nfs/dbraw/zinc/09/27/54/1093092754.db2.gz DXTVHNYAVLTIFK-KRWDZBQOSA-N 1 1 353.535 4.428 20 30 FIEDMO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659624 1093095789 /nfs/dbraw/zinc/09/57/89/1093095789.db2.gz ISXKQVLRUMWGFJ-NVXWUHKLSA-N 1 1 357.498 4.322 20 30 FIEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000522166480 1093133835 /nfs/dbraw/zinc/13/38/35/1093133835.db2.gz ANIPDNFZARTBLN-JOCHJYFZSA-N 1 1 354.469 4.272 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000433032267 1093134397 /nfs/dbraw/zinc/13/43/97/1093134397.db2.gz RICUFHMIAYABBW-UHFFFAOYSA-N 1 1 365.458 4.244 20 30 FIEDMO CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487429294 1093155268 /nfs/dbraw/zinc/15/52/68/1093155268.db2.gz MJMUOAWQVFOYRT-ZDUSSCGKSA-N 1 1 368.387 4.470 20 30 FIEDMO CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487429294 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363.411 4.476 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c(F)c1 ZINC000536683678 1100175185 /nfs/dbraw/zinc/17/51/85/1100175185.db2.gz GLHTVJIETOLIRN-UHFFFAOYSA-N 1 1 363.411 4.476 20 30 FIEDMO Cc1cccc(C2=CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000536719386 1100219138 /nfs/dbraw/zinc/21/91/38/1100219138.db2.gz QGWJCTOEXMVQFF-UHFFFAOYSA-N 1 1 359.473 4.031 20 30 FIEDMO Cc1cccc(C2=CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000536719386 1100219146 /nfs/dbraw/zinc/21/91/46/1100219146.db2.gz QGWJCTOEXMVQFF-UHFFFAOYSA-N 1 1 359.473 4.031 20 30 FIEDMO CC1(C)Cc2ccsc2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000459589944 1100330922 /nfs/dbraw/zinc/33/09/22/1100330922.db2.gz XZQBEIJALYGJKW-UHFFFAOYSA-N 1 1 350.447 4.007 20 30 FIEDMO CC1(C)Cc2ccsc2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000459589944 1100330932 /nfs/dbraw/zinc/33/09/32/1100330932.db2.gz XZQBEIJALYGJKW-UHFFFAOYSA-N 1 1 350.447 4.007 20 30 FIEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459643279 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CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000152330248 1104981241 /nfs/dbraw/zinc/98/12/41/1104981241.db2.gz PBLOAKZLNFWPIS-UHFFFAOYSA-N 1 1 351.475 4.321 20 30 FIEDMO C#CCOc1ccc(Br)cc1CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000121296904 1106895082 /nfs/dbraw/zinc/89/50/82/1106895082.db2.gz UHIXXUMDYDDAKZ-UHFFFAOYSA-N 1 1 371.278 4.019 20 30 FIEDMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 ZINC001271561611 1107091142 /nfs/dbraw/zinc/09/11/42/1107091142.db2.gz HVBUJNOGNNUXGN-QMMLZNLJSA-N 1 1 353.510 4.063 20 30 FIEDMO N#Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000530604797 1107185130 /nfs/dbraw/zinc/18/51/30/1107185130.db2.gz SERODUAJWCGNEW-HSZRJFAPSA-N 1 1 374.488 4.078 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451965610 1107399741 /nfs/dbraw/zinc/39/97/41/1107399741.db2.gz KUUXKXYTHQAWTE-MRXNPFEDSA-N 1 1 361.417 4.064 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451965610 1107399755 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CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000444684258 1108087773 /nfs/dbraw/zinc/08/77/73/1108087773.db2.gz JCAUBZJVRDHLBS-OAHLLOKOSA-N 1 1 355.404 4.274 20 30 FIEDMO C=CC[N@H+](C)Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000428375353 1108121474 /nfs/dbraw/zinc/12/14/74/1108121474.db2.gz CJBPKIXOWSQAJG-UHFFFAOYSA-N 1 1 350.203 4.067 20 30 FIEDMO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1F ZINC000444736117 1108123292 /nfs/dbraw/zinc/12/32/92/1108123292.db2.gz PWQKMGMOFMBFNP-CYBMUJFWSA-N 1 1 371.481 4.015 20 30 FIEDMO Cc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1F ZINC000444736117 1108123297 /nfs/dbraw/zinc/12/32/97/1108123297.db2.gz PWQKMGMOFMBFNP-CYBMUJFWSA-N 1 1 371.481 4.015 20 30 FIEDMO Cc1cc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)ccc1F ZINC000444737569 1108126078 /nfs/dbraw/zinc/12/60/78/1108126078.db2.gz PFHBBDUIBKYNRE-UHFFFAOYSA-N 1 1 363.436 4.317 20 30 FIEDMO Cc1cc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)ccc1F ZINC000444737569 1108126084 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N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)c1ccccn1 ZINC000528918389 1110154199 /nfs/dbraw/zinc/15/41/99/1110154199.db2.gz HZBFZGOQFKWQFC-BHIFYINESA-N 1 1 373.500 4.196 20 30 FIEDMO N#CC(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)c1ccccn1 ZINC000528918389 1110154201 /nfs/dbraw/zinc/15/42/01/1110154201.db2.gz HZBFZGOQFKWQFC-BHIFYINESA-N 1 1 373.500 4.196 20 30 FIEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(C#N)c1 ZINC000026329115 1110168477 /nfs/dbraw/zinc/16/84/77/1110168477.db2.gz NTJRISALXKGSAZ-UHFFFAOYSA-N 1 1 355.441 4.443 20 30 FIEDMO CCS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000450313707 1110280607 /nfs/dbraw/zinc/28/06/07/1110280607.db2.gz ROECQKVGHFZOGH-UHFFFAOYSA-N 1 1 370.518 4.010 20 30 FIEDMO CCS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000450313707 1110280608 /nfs/dbraw/zinc/28/06/08/1110280608.db2.gz ROECQKVGHFZOGH-UHFFFAOYSA-N 1 1 370.518 4.010 20 30 FIEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)CC1CC1 ZINC000529527979 1110281396 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CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1)CC(C)C ZINC000539128299 1111448414 /nfs/dbraw/zinc/44/84/14/1111448414.db2.gz ZBQFWLNFZCDZAB-UHFFFAOYSA-N 1 1 374.504 4.309 20 30 FIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1F ZINC000539250418 1111486861 /nfs/dbraw/zinc/48/68/61/1111486861.db2.gz VQEPHXPINCJFFA-INIZCTEOSA-N 1 1 355.482 4.412 20 30 FIEDMO N#CC(=C(O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000041495807 1111517269 /nfs/dbraw/zinc/51/72/69/1111517269.db2.gz MYVJALVCGSQNIU-GOSISDBHSA-N 1 1 358.445 4.039 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl ZINC000478043213 1111661696 /nfs/dbraw/zinc/66/16/96/1111661696.db2.gz BXLRSYJKOGEVDT-UHFFFAOYSA-N 1 1 359.882 4.270 20 30 FIEDMO N#Cc1ccnc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000552939266 1111856965 /nfs/dbraw/zinc/85/69/65/1111856965.db2.gz DXBKYJATRPRWBV-LJQANCHMSA-N 1 1 360.486 4.226 20 30 FIEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000479088224 1111942345 /nfs/dbraw/zinc/94/23/45/1111942345.db2.gz DJDBEERMXJBZTK-QGZVFWFLSA-N 1 1 366.427 4.142 20 30 FIEDMO C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)cc1F ZINC000479502553 1112048701 /nfs/dbraw/zinc/04/87/01/1112048701.db2.gz ZVHKNNZIQXYVHE-JQRITLKVSA-N 1 1 369.406 4.153 20 30 FIEDMO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(OC(F)F)cc1C ZINC000554558874 1112399944 /nfs/dbraw/zinc/39/99/44/1112399944.db2.gz IOCKCDQIXNEIBI-UHFFFAOYSA-N 1 1 371.431 4.357 20 30 FIEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000554841130 1112517733 /nfs/dbraw/zinc/51/77/33/1112517733.db2.gz RZBFFFIAMOZIEH-VQTJNVASSA-N 1 1 373.928 4.014 20 30 FIEDMO C[C@@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000554849104 1112528724 /nfs/dbraw/zinc/52/87/24/1112528724.db2.gz USOPBNLQZWLEOV-JPYJTQIMSA-N 1 1 369.468 4.267 20 30 FIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000554991589 1112603448 /nfs/dbraw/zinc/60/34/48/1112603448.db2.gz VWEFRLFSAUPUSP-WMZOPIPTSA-N 1 1 363.461 4.328 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1C ZINC000555723379 1112975331 /nfs/dbraw/zinc/97/53/31/1112975331.db2.gz VZEVIDMEACRTRF-ICSRJNTNSA-N 1 1 353.510 4.061 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481584271 1112989648 /nfs/dbraw/zinc/98/96/48/1112989648.db2.gz DYRVLFRVRAYJDR-ZUOKHONESA-N 1 1 362.395 4.188 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)c(F)c1 ZINC000481600173 1112993585 /nfs/dbraw/zinc/99/35/85/1112993585.db2.gz YHCCPVUXQLJXDG-MJGOQNOKSA-N 1 1 360.379 4.116 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481617298 1112997993 /nfs/dbraw/zinc/99/79/93/1112997993.db2.gz QNEOPWCBXHLYPW-YADHBBJMSA-N 1 1 370.443 4.439 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1C ZINC000481726198 1113056621 /nfs/dbraw/zinc/05/66/21/1113056621.db2.gz QPYWHENJXGIBPX-UHFFFAOYSA-N 1 1 373.500 4.098 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c1C ZINC000481726198 1113056626 /nfs/dbraw/zinc/05/66/26/1113056626.db2.gz QPYWHENJXGIBPX-UHFFFAOYSA-N 1 1 373.500 4.098 20 30 FIEDMO CCOC(=O)C[N@H+](CCCCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000159581954 1113203577 /nfs/dbraw/zinc/20/35/77/1113203577.db2.gz QSBUSACAARNYCN-AWEZNQCLSA-N 1 1 367.287 4.069 20 30 FIEDMO CCOC(=O)C[N@@H+](CCCCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000159581954 1113203581 /nfs/dbraw/zinc/20/35/81/1113203581.db2.gz QSBUSACAARNYCN-AWEZNQCLSA-N 1 1 367.287 4.069 20 30 FIEDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1)C1CC1 ZINC000159896328 1113258712 /nfs/dbraw/zinc/25/87/12/1113258712.db2.gz GLNTYDGFHUQNGY-UHFFFAOYSA-N 1 1 353.853 4.101 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483108878 1113444884 /nfs/dbraw/zinc/44/48/84/1113444884.db2.gz IHGBRIVIGNBTKW-CVEARBPZSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483108882 1113445042 /nfs/dbraw/zinc/44/50/42/1113445042.db2.gz IHGBRIVIGNBTKW-JKSUJKDBSA-N 1 1 359.539 4.387 20 30 FIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160740218 1113445097 /nfs/dbraw/zinc/44/50/97/1113445097.db2.gz NPJGKWRVXNHJPN-OAQYLSRUSA-N 1 1 370.541 4.185 20 30 FIEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483145422 1113452876 /nfs/dbraw/zinc/45/28/76/1113452876.db2.gz FNGGAVIPUAHFCX-OAQYLSRUSA-N 1 1 367.537 4.197 20 30 FIEDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](c1ccccc1)C2 ZINC000483268381 1113477416 /nfs/dbraw/zinc/47/74/16/1113477416.db2.gz OXOFMBZYEWFYOU-QHCPKHFHSA-N 1 1 357.457 4.205 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)n(C)c1)[C@H](c1ccccc1)C2 ZINC000483268381 1113477419 /nfs/dbraw/zinc/47/74/19/1113477419.db2.gz OXOFMBZYEWFYOU-QHCPKHFHSA-N 1 1 357.457 4.205 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000483316791 1113481556 /nfs/dbraw/zinc/48/15/56/1113481556.db2.gz VWIHUUDXEYXFPN-HNNXBMFYSA-N 1 1 357.523 4.284 20 30 FIEDMO Cn1cc(C[N@H+](Cc2ccccc2Br)C(C)(C)C)cc1C#N ZINC000483298264 1113482842 /nfs/dbraw/zinc/48/28/42/1113482842.db2.gz QROPLMGYRAFVKB-UHFFFAOYSA-N 1 1 360.299 4.460 20 30 FIEDMO Cn1cc(C[N@@H+](Cc2ccccc2Br)C(C)(C)C)cc1C#N ZINC000483298264 1113482845 /nfs/dbraw/zinc/48/28/45/1113482845.db2.gz QROPLMGYRAFVKB-UHFFFAOYSA-N 1 1 360.299 4.460 20 30 FIEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 ZINC000486428923 1113562785 /nfs/dbraw/zinc/56/27/85/1113562785.db2.gz FBHFSRNYAXPIHI-NFBKMPQASA-N 1 1 370.456 4.162 20 30 FIEDMO C[C@@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)[N@@H+](C)Cc1ccccc1 ZINC000488208656 1113878398 /nfs/dbraw/zinc/87/83/98/1113878398.db2.gz GMWQIISXOBDHAK-AWEZNQCLSA-N 1 1 366.415 4.317 20 30 FIEDMO COc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)ccc1C#N ZINC000589344326 1113881490 /nfs/dbraw/zinc/88/14/90/1113881490.db2.gz CEQLJFICIARCAA-GFCCVEGCSA-N 1 1 356.376 4.162 20 30 FIEDMO CC[C@H](C)[N@H+](Cc1ccc(C#N)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000488226912 1113884388 /nfs/dbraw/zinc/88/43/88/1113884388.db2.gz FQXIPWPCKNNPED-INIZCTEOSA-N 1 1 360.461 4.316 20 30 FIEDMO CC[C@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000488226912 1113884390 /nfs/dbraw/zinc/88/43/90/1113884390.db2.gz FQXIPWPCKNNPED-INIZCTEOSA-N 1 1 360.461 4.316 20 30 FIEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 ZINC000028323384 1113915685 /nfs/dbraw/zinc/91/56/85/1113915685.db2.gz OHVXHXHVGAVMPI-VAWYXSNFSA-N 1 1 373.500 4.039 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000488494052 1113940011 /nfs/dbraw/zinc/94/00/11/1113940011.db2.gz MPCHYLHLAOUEHP-CQSZACIVSA-N 1 1 364.461 4.061 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000488494052 1113940022 /nfs/dbraw/zinc/94/00/22/1113940022.db2.gz MPCHYLHLAOUEHP-CQSZACIVSA-N 1 1 364.461 4.061 20 30 FIEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746410 1114048626 /nfs/dbraw/zinc/04/86/26/1114048626.db2.gz CHZWOGKLTVOYAD-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746410 1114048631 /nfs/dbraw/zinc/04/86/31/1114048631.db2.gz CHZWOGKLTVOYAD-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO CCN(Cc1ccc(F)cc1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000489599832 1114141971 /nfs/dbraw/zinc/14/19/71/1114141971.db2.gz URIMRLODDHJDEA-JTSKRJEESA-N 1 1 351.469 4.355 20 30 FIEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000489709495 1114159707 /nfs/dbraw/zinc/15/97/07/1114159707.db2.gz XRWBGTOGRVJHTE-AJSBUHFISA-N 1 1 362.517 4.373 20 30 FIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000490166492 1114228459 /nfs/dbraw/zinc/22/84/59/1114228459.db2.gz YBELKHLWQGWUPZ-OAQYLSRUSA-N 1 1 360.461 4.144 20 30 FIEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000490222902 1114238488 /nfs/dbraw/zinc/23/84/88/1114238488.db2.gz QJLUQQWOTAIHCW-INIZCTEOSA-N 1 1 366.465 4.202 20 30 FIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490340678 1114270135 /nfs/dbraw/zinc/27/01/35/1114270135.db2.gz NVWQUGBKDYXPBK-GCJKJVERSA-N 1 1 370.500 4.412 20 30 FIEDMO Cn1cc(C[N@H+]2CCSC3(CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490567719 1114304155 /nfs/dbraw/zinc/30/41/55/1114304155.db2.gz MOTJWZAFKRZUDL-UHFFFAOYSA-N 1 1 366.534 4.210 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491095232 1114372478 /nfs/dbraw/zinc/37/24/78/1114372478.db2.gz YESHUFKGGMXRPS-OAQYLSRUSA-N 1 1 360.436 4.435 20 30 FIEDMO Cn1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491133873 1114376836 /nfs/dbraw/zinc/37/68/36/1114376836.db2.gz KXSHJRMFHMBFIB-UHFFFAOYSA-N 1 1 364.880 4.287 20 30 FIEDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c2nccn21 ZINC000571254487 1114450376 /nfs/dbraw/zinc/45/03/76/1114450376.db2.gz WRGZWVJCWZNKJI-IERDGZPVSA-N 1 1 358.445 4.129 20 30 FIEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000588004340 1114509458 /nfs/dbraw/zinc/50/94/58/1114509458.db2.gz SQKRCCPUJFZRCH-JTQLQIEISA-N 1 1 365.662 4.160 20 30 FIEDMO N#CCc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000055855388 1114535457 /nfs/dbraw/zinc/53/54/57/1114535457.db2.gz AQBIIOZXQNDOQS-HSZRJFAPSA-N 1 1 373.431 4.209 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000589744775 1114832004 /nfs/dbraw/zinc/83/20/04/1114832004.db2.gz SFTYIYLEDIAWSF-XMMPIXPASA-N 1 1 362.517 4.305 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)CC2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000590321532 1114922910 /nfs/dbraw/zinc/92/29/10/1114922910.db2.gz CUOFXNAKAOAACR-HXUWFJFHSA-N 1 1 369.509 4.098 20 30 FIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1OC ZINC000573403349 1115104866 /nfs/dbraw/zinc/10/48/66/1115104866.db2.gz YEQJBCPOGJPBPC-KRWDZBQOSA-N 1 1 363.461 4.297 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2cc(Br)ccc2o1 ZINC000783292889 1115196090 /nfs/dbraw/zinc/19/60/90/1115196090.db2.gz CVUDCNOYSLNCSO-LLVKDONJSA-N 1 1 356.223 4.313 20 30 FIEDMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592122664 1115203779 /nfs/dbraw/zinc/20/37/79/1115203779.db2.gz OYUBMBICSWZSND-KRWDZBQOSA-N 1 1 356.267 4.129 20 30 FIEDMO CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CC[N@@H+](C)C1 ZINC000592229084 1115210039 /nfs/dbraw/zinc/21/00/39/1115210039.db2.gz IUSXDDNXOKBZIU-JKSUJKDBSA-N 1 1 360.527 4.029 20 30 FIEDMO CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CC[N@@H+](C)C1 ZINC000592229082 1115210129 /nfs/dbraw/zinc/21/01/29/1115210129.db2.gz IUSXDDNXOKBZIU-HOTGVXAUSA-N 1 1 360.527 4.029 20 30 FIEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000592505488 1115238410 /nfs/dbraw/zinc/23/84/10/1115238410.db2.gz VWGMLBFSLGKBOQ-VQTJNVASSA-N 1 1 360.461 4.260 20 30 FIEDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000592505488 1115238412 /nfs/dbraw/zinc/23/84/12/1115238412.db2.gz VWGMLBFSLGKBOQ-VQTJNVASSA-N 1 1 360.461 4.260 20 30 FIEDMO N#CC[C@]1(O)CC[N@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000592521979 1115240571 /nfs/dbraw/zinc/24/05/71/1115240571.db2.gz GBPZKHNGRZMFID-IBGZPJMESA-N 1 1 360.816 4.122 20 30 FIEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000592521979 1115240574 /nfs/dbraw/zinc/24/05/74/1115240574.db2.gz GBPZKHNGRZMFID-IBGZPJMESA-N 1 1 360.816 4.122 20 30 FIEDMO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000593047228 1115282257 /nfs/dbraw/zinc/28/22/57/1115282257.db2.gz WWMGZNZTOPGANM-HNNXBMFYSA-N 1 1 364.474 4.221 20 30 FIEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000593047228 1115282259 /nfs/dbraw/zinc/28/22/59/1115282259.db2.gz WWMGZNZTOPGANM-HNNXBMFYSA-N 1 1 364.474 4.221 20 30 FIEDMO C=CCc1cc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc(OC)c1O ZINC000574201854 1115293999 /nfs/dbraw/zinc/29/39/99/1115293999.db2.gz VCEMYKAEWGIIIX-MSOLQXFVSA-N 1 1 369.505 4.116 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCc2ccccc21 ZINC000593679096 1115338722 /nfs/dbraw/zinc/33/87/22/1115338722.db2.gz IDHRJSKJXFQYCB-SFHVURJKSA-N 1 1 371.488 4.021 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594070682 1115389993 /nfs/dbraw/zinc/38/99/93/1115389993.db2.gz MUFFKOIRHGPSSV-SOLBZPMBSA-N 1 1 372.538 4.077 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(O)ccc3Br)CCC2)cc1 ZINC000594521915 1115459449 /nfs/dbraw/zinc/45/94/49/1115459449.db2.gz VUMMLYUHCPOKOG-UHFFFAOYSA-N 1 1 357.251 4.195 20 30 FIEDMO Cc1[nH+]cn(CCCCc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1C ZINC000594534068 1115461145 /nfs/dbraw/zinc/46/11/45/1115461145.db2.gz GUOOYTOBPSOMMF-UHFFFAOYSA-N 1 1 363.465 4.374 20 30 FIEDMO COc1ccc(Br)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000594968640 1115499481 /nfs/dbraw/zinc/49/94/81/1115499481.db2.gz LPYXDSGBGPYVHI-UHFFFAOYSA-N 1 1 359.267 4.354 20 30 FIEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000059423118 1115510961 /nfs/dbraw/zinc/51/09/61/1115510961.db2.gz ITQODQIATBTLSM-JOCHJYFZSA-N 1 1 364.489 4.133 20 30 FIEDMO CC(C)[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccc(C#N)cc1 ZINC000595296393 1115521716 /nfs/dbraw/zinc/52/17/16/1115521716.db2.gz CMNZYYAUYFNHIF-HXUWFJFHSA-N 1 1 365.502 4.272 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297441 1115521992 /nfs/dbraw/zinc/52/19/92/1115521992.db2.gz ULANSHJIJPOMFK-HXUWFJFHSA-N 1 1 355.526 4.053 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)cc2)C1 ZINC000574956828 1115525750 /nfs/dbraw/zinc/52/57/50/1115525750.db2.gz GUSVIACIWHCJGX-WZONZLPQSA-N 1 1 365.521 4.009 20 30 FIEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000595470042 1115538073 /nfs/dbraw/zinc/53/80/73/1115538073.db2.gz ZMCXGVRFHIRZSV-IBGZPJMESA-N 1 1 354.885 4.317 20 30 FIEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)nn1 ZINC000595527655 1115540417 /nfs/dbraw/zinc/54/04/17/1115540417.db2.gz WHSHVIVDSUUZAO-UHFFFAOYSA-N 1 1 355.873 4.063 20 30 FIEDMO N#CC[C@H]1CCCN(Cc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2F)C1 ZINC000595623905 1115551737 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FIEDMO N#Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)sc1Cl ZINC000596152120 1115575911 /nfs/dbraw/zinc/57/59/11/1115575911.db2.gz LVCRKAKRKFFGMT-IBGZPJMESA-N 1 1 372.925 4.161 20 30 FIEDMO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c(C#N)c(N[C@H]2CCOC(C)(C)C2)[nH+]1 ZINC000596171449 1115578227 /nfs/dbraw/zinc/57/82/27/1115578227.db2.gz AOSLJBSXIMOVHH-CVEARBPZSA-N 1 1 372.513 4.001 20 30 FIEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212885 1115578706 /nfs/dbraw/zinc/57/87/06/1115578706.db2.gz YMEDUIYMESAPRQ-SFTDATJTSA-N 1 1 362.473 4.148 20 30 FIEDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212885 1115578709 /nfs/dbraw/zinc/57/87/09/1115578709.db2.gz YMEDUIYMESAPRQ-SFTDATJTSA-N 1 1 362.473 4.148 20 30 FIEDMO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595975 1115600590 /nfs/dbraw/zinc/60/05/90/1115600590.db2.gz XIJUVBYQIIUPCU-HSZRJFAPSA-N 1 1 374.532 4.076 20 30 FIEDMO CC1(C)CN(Cc2ccnc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595975 1115600594 /nfs/dbraw/zinc/60/05/94/1115600594.db2.gz XIJUVBYQIIUPCU-HSZRJFAPSA-N 1 1 374.532 4.076 20 30 FIEDMO CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000596652149 1115606739 /nfs/dbraw/zinc/60/67/39/1115606739.db2.gz YNMQHWROBRSAQK-DUXKGJEZSA-N 1 1 355.432 4.023 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000596827570 1115620738 /nfs/dbraw/zinc/62/07/38/1115620738.db2.gz OXHFYFHZFHWHSZ-HDICACEKSA-N 1 1 369.509 4.098 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000596827570 1115620739 /nfs/dbraw/zinc/62/07/39/1115620739.db2.gz OXHFYFHZFHWHSZ-HDICACEKSA-N 1 1 369.509 4.098 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000596984878 1115631978 /nfs/dbraw/zinc/63/19/78/1115631978.db2.gz WOHZDCWLHKPXNK-VGOFRKELSA-N 1 1 350.462 4.309 20 30 FIEDMO Cc1cc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)ccc1F 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NTKZOPVDZFSIAA-GOSISDBHSA-N 1 1 357.461 4.060 20 30 FIEDMO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177446 1115646705 /nfs/dbraw/zinc/64/67/05/1115646705.db2.gz MJDCCRBZUJFWIN-OAHLLOKOSA-N 1 1 373.298 4.069 20 30 FIEDMO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000598219986 1115715553 /nfs/dbraw/zinc/71/55/53/1115715553.db2.gz MZYXQRRGGJZJPX-CYBMUJFWSA-N 1 1 366.292 4.002 20 30 FIEDMO COCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000598589785 1115738518 /nfs/dbraw/zinc/73/85/18/1115738518.db2.gz JNDMAYSTQUYWHG-YOEHRIQHSA-N 1 1 372.431 4.016 20 30 FIEDMO CCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000061001760 1115747498 /nfs/dbraw/zinc/74/74/98/1115747498.db2.gz MWBAYUNGUHQSLW-QGZVFWFLSA-N 1 1 367.468 4.129 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1)C(C)C ZINC000598854066 1115763030 /nfs/dbraw/zinc/76/30/30/1115763030.db2.gz PSMIQDPCFAOQTC-UHFFFAOYSA-N 1 1 350.466 4.053 20 30 FIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CCO2)c1 ZINC000761303165 1115769492 /nfs/dbraw/zinc/76/94/92/1115769492.db2.gz XDTSPCNTNIMSDS-FQEVSTJZSA-N 1 1 361.470 4.273 20 30 FIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273253 1115803841 /nfs/dbraw/zinc/80/38/41/1115803841.db2.gz BBHCSZLPLMMEBN-ZFWWWQNUSA-N 1 1 371.308 4.058 20 30 FIEDMO CC[C@@H](C)[N@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000599326213 1115807783 /nfs/dbraw/zinc/80/77/83/1115807783.db2.gz SNIMHBJTXGZNBM-MRXNPFEDSA-N 1 1 360.461 4.316 20 30 FIEDMO CC[C@@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000599326213 1115807785 /nfs/dbraw/zinc/80/77/85/1115807785.db2.gz SNIMHBJTXGZNBM-MRXNPFEDSA-N 1 1 360.461 4.316 20 30 FIEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCOCC1 ZINC000599439089 1115816196 /nfs/dbraw/zinc/81/61/96/1115816196.db2.gz XDVVEWZQEZZIPB-NHCUHLMSSA-N 1 1 368.521 4.065 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599553301 1115825909 /nfs/dbraw/zinc/82/59/09/1115825909.db2.gz ZAEUDIIWTJMXEP-QGZVFWFLSA-N 1 1 363.452 4.060 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890215 1115826693 /nfs/dbraw/zinc/82/66/93/1115826693.db2.gz UBLWMRSMHIJMHR-APWZRJJASA-N 1 1 372.472 4.246 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000599653324 1115835915 /nfs/dbraw/zinc/83/59/15/1115835915.db2.gz UPPHNCHLFREEKW-CZUORRHYSA-N 1 1 356.267 4.094 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000593994618 1115951233 /nfs/dbraw/zinc/95/12/33/1115951233.db2.gz WSUZTQQAWZQAFK-IAGOWNOFSA-N 1 1 372.472 4.108 20 30 FIEDMO COc1ccc(-c2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)co2)cc1 ZINC000594033331 1115966579 /nfs/dbraw/zinc/96/65/79/1115966579.db2.gz ZVSLIMFOXBRTSZ-UHFFFAOYSA-N 1 1 359.429 4.391 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594034753 1115970505 /nfs/dbraw/zinc/97/05/05/1115970505.db2.gz GTSPIGKXGJCHQF-UHFFFAOYSA-N 1 1 362.351 4.244 20 30 FIEDMO C=CCCCCCN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000606968232 1115987259 /nfs/dbraw/zinc/98/72/59/1115987259.db2.gz UHPXVFANNOKEFN-GOSISDBHSA-N 1 1 351.922 4.331 20 30 FIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075750727 1116078269 /nfs/dbraw/zinc/07/82/69/1116078269.db2.gz FEEFTJBHEVBIPN-QFBILLFUSA-N 1 1 358.445 4.295 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063751043 1116105487 /nfs/dbraw/zinc/10/54/87/1116105487.db2.gz WJOZHCVJYWALNV-MRXNPFEDSA-N 1 1 369.896 4.299 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000534644979 1116220060 /nfs/dbraw/zinc/22/00/60/1116220060.db2.gz FOAIWPODACUEOK-OAQYLSRUSA-N 1 1 354.538 4.461 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000508842441 1116262361 /nfs/dbraw/zinc/26/23/61/1116262361.db2.gz XVMFDMWQPAPHOF-INIZCTEOSA-N 1 1 373.932 4.124 20 30 FIEDMO C=C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000535372066 1116300013 /nfs/dbraw/zinc/30/00/13/1116300013.db2.gz UKDJQWKIESSQSY-JXFKEZNVSA-N 1 1 356.897 4.419 20 30 FIEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539700982 1116369261 /nfs/dbraw/zinc/36/92/61/1116369261.db2.gz WHSRCWZQSNQJDM-IEBWSBKVSA-N 1 1 352.881 4.475 20 30 FIEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539700982 1116369263 /nfs/dbraw/zinc/36/92/63/1116369263.db2.gz WHSRCWZQSNQJDM-IEBWSBKVSA-N 1 1 352.881 4.475 20 30 FIEDMO COc1ccc2c(c1)CCC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000539839166 1116391141 /nfs/dbraw/zinc/39/11/41/1116391141.db2.gz MDRUFTFVCNZNNC-UHFFFAOYSA-N 1 1 350.462 4.326 20 30 FIEDMO CCC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000462833654 1117803325 /nfs/dbraw/zinc/80/33/25/1117803325.db2.gz LWYJUAOFUHWEOI-LVIWNVNYSA-N 1 1 356.510 4.491 20 30 FIEDMO CC(C)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCOC1 ZINC000462869564 1117827638 /nfs/dbraw/zinc/82/76/38/1117827638.db2.gz GUXQQULNHHMNOO-NRFANRHFSA-N 1 1 350.462 4.137 20 30 FIEDMO C=CC[N@H+](C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000540058654 1117847894 /nfs/dbraw/zinc/84/78/94/1117847894.db2.gz URDPJIWFCHKWEH-DHIUTWEWSA-N 1 1 351.490 4.112 20 30 FIEDMO N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462946679 1117877129 /nfs/dbraw/zinc/87/71/29/1117877129.db2.gz PLGYTPDKLNCCBB-MRXNPFEDSA-N 1 1 356.420 4.061 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000540366139 1118017017 /nfs/dbraw/zinc/01/70/17/1118017017.db2.gz NZYFANMHPPFEBS-CQSZACIVSA-N 1 1 374.481 4.402 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1C#N ZINC000540520797 1118105907 /nfs/dbraw/zinc/10/59/07/1118105907.db2.gz SWGSMDITRSZYGC-CFSSXQINSA-N 1 1 368.864 4.485 20 30 FIEDMO Cc1cc([C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)ccc1F ZINC000540523371 1118106326 /nfs/dbraw/zinc/10/63/26/1118106326.db2.gz PWUMBDPMLSVGPH-HXUWFJFHSA-N 1 1 362.408 4.297 20 30 FIEDMO OC[C@]1(Cc2ccccc2)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000463437001 1118156172 /nfs/dbraw/zinc/15/61/72/1118156172.db2.gz NVZAZZNDVRNZLU-QFIPXVFZSA-N 1 1 353.893 4.009 20 30 FIEDMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000463437001 1118156173 /nfs/dbraw/zinc/15/61/73/1118156173.db2.gz NVZAZZNDVRNZLU-QFIPXVFZSA-N 1 1 353.893 4.009 20 30 FIEDMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000463442725 1118165509 /nfs/dbraw/zinc/16/55/09/1118165509.db2.gz VSAXPRYNCDZCOE-JOCHJYFZSA-N 1 1 353.893 4.009 20 30 FIEDMO COc1cc(Br)ccc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000541350997 1118483102 /nfs/dbraw/zinc/48/31/02/1118483102.db2.gz RVPDQRJUOVBDHN-UHFFFAOYSA-N 1 1 351.288 4.016 20 30 FIEDMO Cc1nn(-c2ccncc2)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000541534575 1118553309 /nfs/dbraw/zinc/55/33/09/1118553309.db2.gz UADIALSERPZLPB-UHFFFAOYSA-N 1 1 359.477 4.106 20 30 FIEDMO Cc1nn(-c2ccncc2)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000541534575 1118553312 /nfs/dbraw/zinc/55/33/12/1118553312.db2.gz UADIALSERPZLPB-UHFFFAOYSA-N 1 1 359.477 4.106 20 30 FIEDMO CC#CCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000464437647 1118557678 /nfs/dbraw/zinc/55/76/78/1118557678.db2.gz IWYAOORJXNAASL-HXUWFJFHSA-N 1 1 366.530 4.157 20 30 FIEDMO CC#CCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000464437647 1118557682 /nfs/dbraw/zinc/55/76/82/1118557682.db2.gz IWYAOORJXNAASL-HXUWFJFHSA-N 1 1 366.530 4.157 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1Br ZINC000541554277 1118560700 /nfs/dbraw/zinc/56/07/00/1118560700.db2.gz YIBGASVNEFZREA-UHFFFAOYSA-N 1 1 371.278 4.494 20 30 FIEDMO N#Cc1cccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c1F ZINC000464597243 1118614381 /nfs/dbraw/zinc/61/43/81/1118614381.db2.gz VSIDQRTXTDDUSL-UHFFFAOYSA-N 1 1 368.452 4.147 20 30 FIEDMO N#Cc1cccc(C2([NH2+]Cc3cc(-c4ccccc4)on3)CCOCC2)c1 ZINC000595775805 1118627531 /nfs/dbraw/zinc/62/75/31/1118627531.db2.gz YXVYERYYHCXIPS-UHFFFAOYSA-N 1 1 359.429 4.009 20 30 FIEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000464766731 1118686891 /nfs/dbraw/zinc/68/68/91/1118686891.db2.gz DNTWTRDVGDLGPY-UZUQRXQVSA-N 1 1 361.489 4.155 20 30 FIEDMO Cc1ccc(CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]2CCCO2)cc1 ZINC000464768451 1118688179 /nfs/dbraw/zinc/68/81/79/1118688179.db2.gz APBBNUHZVVWHLA-JOCHJYFZSA-N 1 1 352.453 4.230 20 30 FIEDMO Cc1cccc([C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000464781889 1118692972 /nfs/dbraw/zinc/69/29/72/1118692972.db2.gz WOWPWINSMNAQTH-SFHVURJKSA-N 1 1 353.491 4.402 20 30 FIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000464781889 1118692973 /nfs/dbraw/zinc/69/29/73/1118692973.db2.gz WOWPWINSMNAQTH-SFHVURJKSA-N 1 1 353.491 4.402 20 30 FIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)o1 ZINC000464833765 1118708924 /nfs/dbraw/zinc/70/89/24/1118708924.db2.gz FZPMGMOGODFQAW-KBXCAEBGSA-N 1 1 362.433 4.483 20 30 FIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)o1 ZINC000464833765 1118708926 /nfs/dbraw/zinc/70/89/26/1118708926.db2.gz FZPMGMOGODFQAW-KBXCAEBGSA-N 1 1 362.433 4.483 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464830358 1118715260 /nfs/dbraw/zinc/71/52/60/1118715260.db2.gz ABLXNCZXPQMEOX-QAPCUYQASA-N 1 1 354.450 4.320 20 30 FIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000443655996 1118751494 /nfs/dbraw/zinc/75/14/94/1118751494.db2.gz KVPAOHDACFQUSU-AWEZNQCLSA-N 1 1 353.372 4.357 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000609144137 1118765758 /nfs/dbraw/zinc/76/57/58/1118765758.db2.gz OBQOMGJSYLAYCE-IBGZPJMESA-N 1 1 372.472 4.248 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000491394225 1118944322 /nfs/dbraw/zinc/94/43/22/1118944322.db2.gz GOTGSZUHMNVWCK-UHFFFAOYSA-N 1 1 357.841 4.256 20 30 FIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000491806363 1118984818 /nfs/dbraw/zinc/98/48/18/1118984818.db2.gz GYKQEPJYBCWESX-UHFFFAOYSA-N 1 1 351.406 4.030 20 30 FIEDMO COc1ccccc1CC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492771247 1119190201 /nfs/dbraw/zinc/19/02/01/1119190201.db2.gz LYWRRQXLBHJRIC-UHFFFAOYSA-N 1 1 359.267 4.004 20 30 FIEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492771247 1119190205 /nfs/dbraw/zinc/19/02/05/1119190205.db2.gz LYWRRQXLBHJRIC-UHFFFAOYSA-N 1 1 359.267 4.004 20 30 FIEDMO Cn1cc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1C#N ZINC000191723165 1119992582 /nfs/dbraw/zinc/99/25/82/1119992582.db2.gz KUEJFSJYPFECAR-UHFFFAOYSA-N 1 1 353.775 4.348 20 30 FIEDMO FC(F)(F)c1csc([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC000192120473 1120022169 /nfs/dbraw/zinc/02/21/69/1120022169.db2.gz ILPZYSNUBBPUTP-HNNXBMFYSA-N 1 1 350.409 4.393 20 30 FIEDMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000192120473 1120022173 /nfs/dbraw/zinc/02/21/73/1120022173.db2.gz ILPZYSNUBBPUTP-HNNXBMFYSA-N 1 1 350.409 4.393 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000542508419 1120283439 /nfs/dbraw/zinc/28/34/39/1120283439.db2.gz SBWVGWBIOVKBGJ-DEOSSOPVSA-N 1 1 373.500 4.253 20 30 FIEDMO CC[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000914701244 1120478386 /nfs/dbraw/zinc/47/83/86/1120478386.db2.gz CAWIGIAMKIGFJP-JHXRPTDYSA-N 1 1 359.473 4.196 20 30 FIEDMO C=C[C@H](CC)CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127337310 1120714700 /nfs/dbraw/zinc/71/47/00/1120714700.db2.gz LFILVUIWWHFNPS-UYAOXDASSA-N 1 1 366.509 4.179 20 30 FIEDMO CC(C)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000495378685 1120763037 /nfs/dbraw/zinc/76/30/37/1120763037.db2.gz DSQWYNPHQXIDAD-SFHVURJKSA-N 1 1 372.394 4.087 20 30 FIEDMO CC(C)[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(C#N)cc1 ZINC000487906200 1120815272 /nfs/dbraw/zinc/81/52/72/1120815272.db2.gz GFQDQTLPVDBYDT-UHFFFAOYSA-N 1 1 366.415 4.433 20 30 FIEDMO CC(C)[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(C#N)cc1 ZINC000487906200 1120815285 /nfs/dbraw/zinc/81/52/85/1120815285.db2.gz GFQDQTLPVDBYDT-UHFFFAOYSA-N 1 1 366.415 4.433 20 30 FIEDMO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915207555 1120872826 /nfs/dbraw/zinc/87/28/26/1120872826.db2.gz BXKKJUPRIKHKFO-UHFFFAOYSA-N 1 1 372.538 4.354 20 30 FIEDMO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915207555 1120872831 /nfs/dbraw/zinc/87/28/31/1120872831.db2.gz BXKKJUPRIKHKFO-UHFFFAOYSA-N 1 1 372.538 4.354 20 30 FIEDMO N#Cc1c(Cl)nsc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762559414 1120928627 /nfs/dbraw/zinc/92/86/27/1120928627.db2.gz OFCUSDMWWOGQBE-UHFFFAOYSA-N 1 1 372.925 4.161 20 30 FIEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000487973718 1120946636 /nfs/dbraw/zinc/94/66/36/1120946636.db2.gz IIMQMDJKQZULSW-UHFFFAOYSA-N 1 1 373.441 4.223 20 30 FIEDMO CC(C)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCC(C)CC1 ZINC000236728603 1120968970 /nfs/dbraw/zinc/96/89/70/1120968970.db2.gz YHQIKGIANVNFIJ-JOCHJYFZSA-N 1 1 357.542 4.215 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000915602773 1121008599 /nfs/dbraw/zinc/00/85/99/1121008599.db2.gz KZYVDIUMHGPVIU-QQBSYFJQSA-N 1 1 373.500 4.262 20 30 FIEDMO CCOc1ccc(C=Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000915983080 1121363160 /nfs/dbraw/zinc/36/31/60/1121363160.db2.gz PDDPJHZKUXSPKV-IAGOWNOFSA-N 1 1 368.477 4.151 20 30 FIEDMO Clc1ccc(N[NH+]=Cc2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000916246575 1121456151 /nfs/dbraw/zinc/45/61/51/1121456151.db2.gz DOMZEFCSFLDDDT-UHFFFAOYSA-N 1 1 366.852 4.171 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000032800381 1121466396 /nfs/dbraw/zinc/46/63/96/1121466396.db2.gz NEXLPZXIQXGSOE-CHWSQXEVSA-N 1 1 368.308 4.375 20 30 FIEDMO C#CCOc1ccccc1C[NH2+]Cc1cccnc1Oc1cccc(OC)c1 ZINC000154071833 1121557207 /nfs/dbraw/zinc/55/72/07/1121557207.db2.gz NRMLQOXKDDCIKB-UHFFFAOYSA-N 1 1 374.440 4.184 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)cc1 ZINC000763406921 1121576019 /nfs/dbraw/zinc/57/60/19/1121576019.db2.gz IOEMKKCPRWCPBG-QFIPXVFZSA-N 1 1 352.453 4.218 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000763412518 1121582689 /nfs/dbraw/zinc/58/26/89/1121582689.db2.gz GHJBLGJNJQAJDH-CTNGQTDRSA-N 1 1 368.477 4.288 20 30 FIEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000112543018 1121966276 /nfs/dbraw/zinc/96/62/76/1121966276.db2.gz HMBBGJVMHHABCE-WMZOPIPTSA-N 1 1 351.425 4.499 20 30 FIEDMO N#Cc1ccc(OCCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000917013166 1122004368 /nfs/dbraw/zinc/00/43/68/1122004368.db2.gz PIRPTOPWMARSOY-IBGZPJMESA-N 1 1 356.491 4.070 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000497509835 1122260638 /nfs/dbraw/zinc/26/06/38/1122260638.db2.gz RCXOMJJJQYRQGO-JOCHJYFZSA-N 1 1 352.453 4.048 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000917407656 1122298581 /nfs/dbraw/zinc/29/85/81/1122298581.db2.gz HYUOXFHMDBHCHN-IBGZPJMESA-N 1 1 365.395 4.436 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594081 1122302348 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364.489 4.378 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000498641979 1122927199 /nfs/dbraw/zinc/92/71/99/1122927199.db2.gz HNEDFLLDVAQOHF-OAHLLOKOSA-N 1 1 359.901 4.208 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000498641979 1122927202 /nfs/dbraw/zinc/92/72/02/1122927202.db2.gz HNEDFLLDVAQOHF-OAHLLOKOSA-N 1 1 359.901 4.208 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000556531325 1122945524 /nfs/dbraw/zinc/94/55/24/1122945524.db2.gz TUSNJDJBPMMITB-UHFFFAOYSA-N 1 1 361.823 4.202 20 30 FIEDMO C=CCCOCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498806438 1123022856 /nfs/dbraw/zinc/02/28/56/1123022856.db2.gz QCIUIVHPXJKQMS-QGZVFWFLSA-N 1 1 350.256 4.314 20 30 FIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963071 1123054493 /nfs/dbraw/zinc/05/44/93/1123054493.db2.gz ZIGRFOXJYVMGNK-UHFFFAOYSA-N 1 1 353.853 4.123 20 30 FIEDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963071 1123054501 /nfs/dbraw/zinc/05/45/01/1123054501.db2.gz ZIGRFOXJYVMGNK-UHFFFAOYSA-N 1 1 353.853 4.123 20 30 FIEDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000072492085 1123069244 /nfs/dbraw/zinc/06/92/44/1123069244.db2.gz PNEKBQGSAHTSAZ-IRXDYDNUSA-N 1 1 359.539 4.245 20 30 FIEDMO C=C(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000498907860 1123072590 /nfs/dbraw/zinc/07/25/90/1123072590.db2.gz GPDLERNMENWAOD-DENIHFKCSA-N 1 1 363.505 4.052 20 30 FIEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000072578053 1123093765 /nfs/dbraw/zinc/09/37/65/1123093765.db2.gz VIUQTMFOMWZGKP-MRXNPFEDSA-N 1 1 353.491 4.242 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1)C1CC1 ZINC000557065598 1123355499 /nfs/dbraw/zinc/35/54/99/1123355499.db2.gz XVNGBMRWBIBMHA-UHFFFAOYSA-N 1 1 374.488 4.369 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2cc(Br)ccc2O)C1 ZINC000920173660 1123403299 /nfs/dbraw/zinc/40/32/99/1123403299.db2.gz 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C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1ccco1 ZINC000195583789 1123770877 /nfs/dbraw/zinc/77/08/77/1123770877.db2.gz MKMDUKNUZKWRHT-OAQYLSRUSA-N 1 1 373.456 4.104 20 30 FIEDMO C=CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000610078240 1123934490 /nfs/dbraw/zinc/93/44/90/1123934490.db2.gz RBHOENZEUXYQQW-UHFFFAOYSA-N 1 1 357.479 4.017 20 30 FIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000610091443 1123937326 /nfs/dbraw/zinc/93/73/26/1123937326.db2.gz XEMBRDDXYPONEO-PXNSSMCTSA-N 1 1 355.526 4.451 20 30 FIEDMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000615347005 1123991556 /nfs/dbraw/zinc/99/15/56/1123991556.db2.gz SKLJGNXPJUJBKS-UHFFFAOYSA-N 1 1 366.505 4.120 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)Cc1ccc(OC)cc1 ZINC000615347005 1123991557 /nfs/dbraw/zinc/99/15/57/1123991557.db2.gz SKLJGNXPJUJBKS-UHFFFAOYSA-N 1 1 366.505 4.120 20 30 FIEDMO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179797075 1124079771 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374.803 4.116 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302837501 1124358292 /nfs/dbraw/zinc/35/82/92/1124358292.db2.gz XOWMFCQMBCSDGU-WMZOPIPTSA-N 1 1 374.803 4.116 20 30 FIEDMO N#Cc1cc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)ccn1 ZINC000616867000 1124400259 /nfs/dbraw/zinc/40/02/59/1124400259.db2.gz ZAJRUCDBBUPOLX-UHFFFAOYSA-N 1 1 351.759 4.404 20 30 FIEDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(O[C@@H]2CCOC2)c1 ZINC000542834729 1124421929 /nfs/dbraw/zinc/42/19/29/1124421929.db2.gz WOTAGBFFOWWQCA-MAUKXSAKSA-N 1 1 354.425 4.024 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(F)(F)F ZINC000108981421 1124426273 /nfs/dbraw/zinc/42/62/73/1124426273.db2.gz HSABLTBYPFCICX-UHFFFAOYSA-N 1 1 373.444 4.101 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000072798654 1124573125 /nfs/dbraw/zinc/57/31/25/1124573125.db2.gz PIMHWOHVUXVFSU-KRWDZBQOSA-N 1 1 365.502 4.001 20 30 FIEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 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/nfs/dbraw/zinc/80/73/23/1124807323.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 1 1 373.544 4.302 20 30 FIEDMO C[N@H+]1CCC[C@@H]2CN(CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737094 1124807335 /nfs/dbraw/zinc/80/73/35/1124807335.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 1 1 373.544 4.302 20 30 FIEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000617781778 1124872706 /nfs/dbraw/zinc/87/27/06/1124872706.db2.gz UHPAQIJPZPKYSG-HKUYNNGSSA-N 1 1 355.526 4.308 20 30 FIEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000111218129 1124876567 /nfs/dbraw/zinc/87/65/67/1124876567.db2.gz VDADNZYEXYLWGT-UHFFFAOYSA-N 1 1 359.395 4.289 20 30 FIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075743351 1124919103 /nfs/dbraw/zinc/91/91/03/1124919103.db2.gz FQGGVYALSQFGBC-UHFFFAOYSA-N 1 1 364.424 4.202 20 30 FIEDMO C[C@@H](NC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000181784258 1125134796 /nfs/dbraw/zinc/13/47/96/1125134796.db2.gz MYCJYQZPHFEOQV-RBUKOAKNSA-N 1 1 363.505 4.109 20 30 FIEDMO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000182099615 1125235771 /nfs/dbraw/zinc/23/57/71/1125235771.db2.gz YHSQYFRQPXLBSO-OAHLLOKOSA-N 1 1 355.432 4.152 20 30 FIEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000466006918 1125288756 /nfs/dbraw/zinc/28/87/56/1125288756.db2.gz HCHFENXRNYSOJW-UHFFFAOYSA-N 1 1 372.472 4.193 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000132161876 1125300350 /nfs/dbraw/zinc/30/03/50/1125300350.db2.gz RYZGBQFAPNXCIA-INIZCTEOSA-N 1 1 373.928 4.328 20 30 FIEDMO C[C@]1(c2ccccc2)C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093341815 1125309716 /nfs/dbraw/zinc/30/97/16/1125309716.db2.gz NYMQPLMONALOAW-JOCHJYFZSA-N 1 1 350.462 4.117 20 30 FIEDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093341815 1125309721 /nfs/dbraw/zinc/30/97/21/1125309721.db2.gz NYMQPLMONALOAW-JOCHJYFZSA-N 1 1 350.462 4.117 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCCC2)C1 ZINC000057388568 210071302 /nfs/dbraw/zinc/07/13/02/210071302.db2.gz YSIMTDSGLQZGFC-SFHVURJKSA-N 1 1 353.510 4.009 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2cccs2)sc2c1CCC2 ZINC000022199375 211339446 /nfs/dbraw/zinc/33/94/46/211339446.db2.gz QZWFNGULCPNNRN-HNNXBMFYSA-N 1 1 371.531 4.336 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000071954812 221390278 /nfs/dbraw/zinc/39/02/78/221390278.db2.gz UXIWOUOGQNEPGW-INIZCTEOSA-N 1 1 364.449 4.310 20 30 FIEDMO C=CCCC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000463295044 567863243 /nfs/dbraw/zinc/86/32/43/567863243.db2.gz XXGFOTGUPZCDMR-UHFFFAOYSA-N 1 1 362.109 4.192 20 30 FIEDMO CN(C)Cc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481669181 568080978 /nfs/dbraw/zinc/08/09/78/568080978.db2.gz MWZANPIDTOAKSF-JOCHJYFZSA-N 1 1 351.469 4.316 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(C)C)c1C#N ZINC000063618797 568104926 /nfs/dbraw/zinc/10/49/26/568104926.db2.gz ZNIHBJLDPZFICL-IBGZPJMESA-N 1 1 356.514 4.151 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481839153 568144208 /nfs/dbraw/zinc/14/42/08/568144208.db2.gz LTIVWJZMIPKTFY-HNNXBMFYSA-N 1 1 367.880 4.418 20 30 FIEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc2ccccc21 ZINC000603850428 568164764 /nfs/dbraw/zinc/16/47/64/568164764.db2.gz CLYKRSRXXAFNAQ-UHFFFAOYSA-N 1 1 357.457 4.218 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000603882133 568176427 /nfs/dbraw/zinc/17/64/27/568176427.db2.gz LZFUMYVXMDAJKN-QFBILLFUSA-N 1 1 353.491 4.220 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C2CC2)cc1 ZINC000584683768 568184979 /nfs/dbraw/zinc/18/49/79/568184979.db2.gz DHXAYSJHOURISF-UHFFFAOYSA-N 1 1 354.837 4.147 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2cc3c(cc2Cl)OCCO3)C2CC2)cc1 ZINC000584683768 568184980 /nfs/dbraw/zinc/18/49/80/568184980.db2.gz DHXAYSJHOURISF-UHFFFAOYSA-N 1 1 354.837 4.147 20 30 FIEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OCC ZINC000569107000 568277733 /nfs/dbraw/zinc/27/77/33/568277733.db2.gz SELUXYSRFQLLHC-CQSZACIVSA-N 1 1 369.421 4.115 20 30 FIEDMO C[NH+](C)[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000569738298 568415233 /nfs/dbraw/zinc/41/52/33/568415233.db2.gz IRACMJXPNGZZFV-KRWDZBQOSA-N 1 1 358.873 4.010 20 30 FIEDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182029136 568559487 /nfs/dbraw/zinc/55/94/87/568559487.db2.gz VXHGEZPRHUFGTN-UHFFFAOYSA-N 1 1 374.444 4.066 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(CC)o1 ZINC000605187458 568615047 /nfs/dbraw/zinc/61/50/47/568615047.db2.gz YYOHHKCQTPCOKH-QUCCMNQESA-N 1 1 355.478 4.147 20 30 FIEDMO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164621474 719057326 /nfs/dbraw/zinc/05/73/26/719057326.db2.gz JKIBKQHLIAYBJJ-MJGOQNOKSA-N 1 1 366.896 4.016 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1Cl ZINC000093710745 1125500878 /nfs/dbraw/zinc/50/08/78/1125500878.db2.gz NJZGSHBCWFUNLO-DEOSSOPVSA-N 1 1 363.910 4.274 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1Cl ZINC000093710745 1125500883 /nfs/dbraw/zinc/50/08/83/1125500883.db2.gz NJZGSHBCWFUNLO-DEOSSOPVSA-N 1 1 363.910 4.274 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619535713 1125614788 /nfs/dbraw/zinc/61/47/88/1125614788.db2.gz AXKGLTBEKSSYQW-LJQANCHMSA-N 1 1 354.519 4.175 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619535712 1125615387 /nfs/dbraw/zinc/61/53/87/1125615387.db2.gz AXKGLTBEKSSYQW-IBGZPJMESA-N 1 1 354.519 4.175 20 30 FIEDMO Cc1ccsc1C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000070754520 1125639617 /nfs/dbraw/zinc/63/96/17/1125639617.db2.gz SIGIXLBLMLADFT-UHFFFAOYSA-N 1 1 351.475 4.240 20 30 FIEDMO Cc1ccsc1C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000070754520 1125639629 /nfs/dbraw/zinc/63/96/29/1125639629.db2.gz SIGIXLBLMLADFT-UHFFFAOYSA-N 1 1 351.475 4.240 20 30 FIEDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000619674410 1125651719 /nfs/dbraw/zinc/65/17/19/1125651719.db2.gz HRZSIQKPABKTKQ-UNMCSNQZSA-N 1 1 350.462 4.167 20 30 FIEDMO COc1cc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000619674408 1125652116 /nfs/dbraw/zinc/65/21/16/1125652116.db2.gz HRZSIQKPABKTKQ-IRLDBZIGSA-N 1 1 350.462 4.167 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274563311 1079560849 /nfs/dbraw/zinc/56/08/49/1079560849.db2.gz GJDAEAXVUTWWNL-WDEREUQCSA-N 1 1 355.385 4.476 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274563309 1079561000 /nfs/dbraw/zinc/56/10/00/1079561000.db2.gz GJDAEAXVUTWWNL-QWRGUYRKSA-N 1 1 355.385 4.476 20 30 FIEDMO Cc1ccccc1[C@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000728199776 1079948945 /nfs/dbraw/zinc/94/89/45/1079948945.db2.gz WVYADBVMMVYMFC-NRFANRHFSA-N 1 1 361.489 4.051 20 30 FIEDMO Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000728199776 1079948947 /nfs/dbraw/zinc/94/89/47/1079948947.db2.gz WVYADBVMMVYMFC-NRFANRHFSA-N 1 1 361.489 4.051 20 30 FIEDMO N#Cc1ccc(CCC[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1 ZINC001208863118 1080196014 /nfs/dbraw/zinc/19/60/14/1080196014.db2.gz XJBUYZZPIZXNBF-KDURUIRLSA-N 1 1 354.457 4.021 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000165189051 1080360543 /nfs/dbraw/zinc/36/05/43/1080360543.db2.gz IQDSKZQYPWZJOI-UHFFFAOYSA-N 1 1 353.853 4.205 20 30 FIEDMO C[C@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510165148 1080543053 /nfs/dbraw/zinc/54/30/53/1080543053.db2.gz WHBYSTUKKJPINS-LJQANCHMSA-N 1 1 367.537 4.199 20 30 FIEDMO C[C@H](CC1CCCCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510165148 1080543038 /nfs/dbraw/zinc/54/30/38/1080543038.db2.gz WHBYSTUKKJPINS-LJQANCHMSA-N 1 1 367.537 4.199 20 30 FIEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001209439529 1080694407 /nfs/dbraw/zinc/69/44/07/1080694407.db2.gz RUPDUDLUBWZQGR-MSOLQXFVSA-N 1 1 361.555 4.064 20 30 FIEDMO C=CCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC001209442218 1080702830 /nfs/dbraw/zinc/70/28/30/1080702830.db2.gz BVBJNJQCQNGHIO-FCHUYYIVSA-N 1 1 369.553 4.482 20 30 FIEDMO C=CCCCCCCCC[N@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001209444002 1080705741 /nfs/dbraw/zinc/70/57/41/1080705741.db2.gz JRGYDJJJVMJDHS-UHFFFAOYSA-N 1 1 355.530 4.250 20 30 FIEDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001167157704 1080763098 /nfs/dbraw/zinc/76/30/98/1080763098.db2.gz OSGAEIFCQZLFKD-SFHVURJKSA-N 1 1 364.493 4.169 20 30 FIEDMO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1Cl)CC2 ZINC001203388796 1080779051 /nfs/dbraw/zinc/77/90/51/1080779051.db2.gz OPOZYAIGCMXCFQ-UHFFFAOYSA-N 1 1 369.292 4.214 20 30 FIEDMO C#CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCc2ccccc21 ZINC001167179101 1080798341 /nfs/dbraw/zinc/79/83/41/1080798341.db2.gz VRKGVLVMAWJJJF-NOZRDPDXSA-N 1 1 372.512 4.185 20 30 FIEDMO C#CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCc2ccccc21 ZINC001167179101 1080798346 /nfs/dbraw/zinc/79/83/46/1080798346.db2.gz VRKGVLVMAWJJJF-NOZRDPDXSA-N 1 1 372.512 4.185 20 30 FIEDMO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204463728 1080846347 /nfs/dbraw/zinc/84/63/47/1080846347.db2.gz RZCAKGQMHAETJN-ZDUSSCGKSA-N 1 1 359.285 4.124 20 30 FIEDMO O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204463728 1080846350 /nfs/dbraw/zinc/84/63/50/1080846350.db2.gz RZCAKGQMHAETJN-ZDUSSCGKSA-N 1 1 359.285 4.124 20 30 FIEDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001167240315 1080895811 /nfs/dbraw/zinc/89/58/11/1080895811.db2.gz BXEQZJHTWOQSLU-UHFFFAOYSA-N 1 1 353.422 4.133 20 30 FIEDMO CC(=NNc1nc2ccccc2s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134716 1081489040 /nfs/dbraw/zinc/48/90/40/1081489040.db2.gz SKBVJSVSSFYBMP-UHFFFAOYSA-N 1 1 354.479 4.073 20 30 FIEDMO CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134716 1081489042 /nfs/dbraw/zinc/48/90/42/1081489042.db2.gz SKBVJSVSSFYBMP-UHFFFAOYSA-N 1 1 354.479 4.073 20 30 FIEDMO C[C@H](Nc1cc[nH+]c2ccc(Br)cc12)c1cccc(C#N)c1 ZINC000610340233 1081494504 /nfs/dbraw/zinc/49/45/04/1081494504.db2.gz GJABKIDTHMBPBT-LBPRGKRZSA-N 1 1 352.235 4.464 20 30 FIEDMO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000610346587 1081506201 /nfs/dbraw/zinc/50/62/01/1081506201.db2.gz XVDWVSGOQBTVDS-NWDGAFQWSA-N 1 1 352.463 4.297 20 30 FIEDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)ccc1OCc1cccc(C#N)c1 ZINC000121150264 1081538000 /nfs/dbraw/zinc/53/80/00/1081538000.db2.gz ULJYTXFQSFIUDI-LJQANCHMSA-N 1 1 368.502 4.083 20 30 FIEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000561002818 1081611352 /nfs/dbraw/zinc/61/13/52/1081611352.db2.gz DZXLEJQCQRXDIB-AWEZNQCLSA-N 1 1 353.853 4.160 20 30 FIEDMO N#Cc1c(C(F)F)cccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000579613367 1081920778 /nfs/dbraw/zinc/92/07/78/1081920778.db2.gz NFYNFJGYMALFTI-UHFFFAOYSA-N 1 1 356.420 4.413 20 30 FIEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001167412721 1081981673 /nfs/dbraw/zinc/98/16/73/1081981673.db2.gz QGNNFCPWOXPQNX-OAHLLOKOSA-N 1 1 358.530 4.398 20 30 FIEDMO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312928913 1082044561 /nfs/dbraw/zinc/04/45/61/1082044561.db2.gz DTPKHKFZBGKTPJ-WMLDXEAASA-N 1 1 374.410 4.295 20 30 FIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]2CC ZINC001143380777 1082072963 /nfs/dbraw/zinc/07/29/63/1082072963.db2.gz VCNRSTDYKCNROK-KNQAVFIVSA-N 1 1 358.501 4.364 20 30 FIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]2CCCC[C@H]12 ZINC000580971392 1082261737 /nfs/dbraw/zinc/26/17/37/1082261737.db2.gz BHGCJPIJBSWTHO-IIDMSEBBSA-N 1 1 371.550 4.338 20 30 FIEDMO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2o1)c1ccc(C#N)cc1 ZINC000463157300 1082299268 /nfs/dbraw/zinc/29/92/68/1082299268.db2.gz ATJXOVDCDUUSGE-NSHDSACASA-N 1 1 356.223 4.313 20 30 FIEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OCc1cccnc1 ZINC000093101230 1082516151 /nfs/dbraw/zinc/51/61/51/1082516151.db2.gz PQFMKYZGTQGHQF-UHFFFAOYSA-N 1 1 367.493 4.431 20 30 FIEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OCc1cccnc1 ZINC000093101230 1082516153 /nfs/dbraw/zinc/51/61/53/1082516153.db2.gz PQFMKYZGTQGHQF-UHFFFAOYSA-N 1 1 367.493 4.431 20 30 FIEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001167458486 1082531961 /nfs/dbraw/zinc/53/19/61/1082531961.db2.gz VBYMWLDOWAMCNY-UTKZUKDTSA-N 1 1 355.526 4.451 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167463785 1082584261 /nfs/dbraw/zinc/58/42/61/1082584261.db2.gz BIZWDGXDSNEKDZ-AABGKKOBSA-N 1 1 369.509 4.158 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167463785 1082584265 /nfs/dbraw/zinc/58/42/65/1082584265.db2.gz BIZWDGXDSNEKDZ-AABGKKOBSA-N 1 1 369.509 4.158 20 30 FIEDMO CCCC[N@@H+](C)CC1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000610515111 1082714907 /nfs/dbraw/zinc/71/49/07/1082714907.db2.gz LCZXVBVKEYWMDZ-UHFFFAOYSA-N 1 1 372.463 4.333 20 30 FIEDMO Cn1nc(CCC[N@@H+](C)Cc2ccc(C#N)s2)cc1-c1ccc(F)cc1 ZINC000510445171 1082769764 /nfs/dbraw/zinc/76/97/64/1082769764.db2.gz DKVNZOCVFYRGAL-UHFFFAOYSA-N 1 1 368.481 4.224 20 30 FIEDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Cl)cc3C#N)ccc2NC1=O ZINC000187434807 1082942188 /nfs/dbraw/zinc/94/21/88/1082942188.db2.gz HGMNDUHKVDZWBX-KZULUSFZSA-N 1 1 369.852 4.172 20 30 FIEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187489712 1083003040 /nfs/dbraw/zinc/00/30/40/1083003040.db2.gz ROCQMOQEKSLMPE-SNVBAGLBSA-N 1 1 370.806 4.438 20 30 FIEDMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000074989891 1083090809 /nfs/dbraw/zinc/09/08/09/1083090809.db2.gz FPNJQIQONLTYKN-HNNXBMFYSA-N 1 1 369.328 4.241 20 30 FIEDMO COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000510499757 1083092779 /nfs/dbraw/zinc/09/27/79/1083092779.db2.gz AQCVRSWYYYJAOD-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510674310 1083231120 /nfs/dbraw/zinc/23/11/20/1083231120.db2.gz ILQRXNDQTHICTJ-YLJYHZDGSA-N 1 1 365.477 4.208 20 30 FIEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000610613347 1083263290 /nfs/dbraw/zinc/26/32/90/1083263290.db2.gz AKZWRPPUIJYQLY-LBPRGKRZSA-N 1 1 362.376 4.028 20 30 FIEDMO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000562983647 1083277753 /nfs/dbraw/zinc/27/77/53/1083277753.db2.gz BFGNHRSEMPBSFE-WQGACYEGSA-N 1 1 364.312 4.265 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(OCc2noc(C)n2)cc1)Cc1ccccc1F ZINC000092404665 1083396247 /nfs/dbraw/zinc/39/62/47/1083396247.db2.gz NVVWMRFFDKFWTQ-UHFFFAOYSA-N 1 1 367.424 4.284 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)Cc1ccccc1F ZINC000092404665 1083396256 /nfs/dbraw/zinc/39/62/56/1083396256.db2.gz NVVWMRFFDKFWTQ-UHFFFAOYSA-N 1 1 367.424 4.284 20 30 FIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247535656 1083455686 /nfs/dbraw/zinc/45/56/86/1083455686.db2.gz OQCJGGRKKLIZIA-QZTJIDSGSA-N 1 1 368.481 4.024 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000548879296 1083495711 /nfs/dbraw/zinc/49/57/11/1083495711.db2.gz OUWJWOQUHGIPIX-SFHVURJKSA-N 1 1 352.482 4.261 20 30 FIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093870879 1083502238 /nfs/dbraw/zinc/50/22/38/1083502238.db2.gz WYRPDRABMJXENP-KRWDZBQOSA-N 1 1 356.539 4.427 20 30 FIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093868948 1083502439 /nfs/dbraw/zinc/50/24/39/1083502439.db2.gz NZZFFRTTXZMBOL-ROUUACIJSA-N 1 1 362.539 4.484 20 30 FIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000610787152 1083509226 /nfs/dbraw/zinc/50/92/26/1083509226.db2.gz XBEFDVXLZPSAPQ-GOSISDBHSA-N 1 1 361.445 4.348 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000586778947 1083513227 /nfs/dbraw/zinc/51/32/27/1083513227.db2.gz JDVZROQZTPBTFX-VJBWXMMDSA-N 1 1 360.501 4.492 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)s1 ZINC000127417395 1083608095 /nfs/dbraw/zinc/60/80/95/1083608095.db2.gz CNMOJJOVLXFPST-AWEZNQCLSA-N 1 1 368.437 4.188 20 30 FIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000535792211 1083665639 /nfs/dbraw/zinc/66/56/39/1083665639.db2.gz OTRSSVZWTSEZJS-QWHCGFSZSA-N 1 1 357.454 4.095 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000535814929 1083688692 /nfs/dbraw/zinc/68/86/92/1083688692.db2.gz MWDCFHRTFROZCK-INIZCTEOSA-N 1 1 368.481 4.427 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000535814929 1083688695 /nfs/dbraw/zinc/68/86/95/1083688695.db2.gz MWDCFHRTFROZCK-INIZCTEOSA-N 1 1 368.481 4.427 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612300628 1083701796 /nfs/dbraw/zinc/70/17/96/1083701796.db2.gz VGDIIRNBLJUBSH-OAQYLSRUSA-N 1 1 365.481 4.212 20 30 FIEDMO Cn1cc(C[N@H+](Cc2ccccc2F)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179889421 1083829239 /nfs/dbraw/zinc/82/92/39/1083829239.db2.gz MLCNBRGMTDFMRA-UHFFFAOYSA-N 1 1 360.436 4.262 20 30 FIEDMO Cn1cc(C[N@@H+](Cc2ccccc2F)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179889421 1083829248 /nfs/dbraw/zinc/82/92/48/1083829248.db2.gz MLCNBRGMTDFMRA-UHFFFAOYSA-N 1 1 360.436 4.262 20 30 FIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000628265756 1083847648 /nfs/dbraw/zinc/84/76/48/1083847648.db2.gz PLNDUGVJUJYBAK-SJORKVTESA-N 1 1 351.874 4.057 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000065959603 1083889096 /nfs/dbraw/zinc/88/90/96/1083889096.db2.gz OODFKWOZKIPXLU-GOSISDBHSA-N 1 1 354.469 4.076 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000065959603 1083889102 /nfs/dbraw/zinc/88/91/02/1083889102.db2.gz OODFKWOZKIPXLU-GOSISDBHSA-N 1 1 354.469 4.076 20 30 FIEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000236690688 1083922586 /nfs/dbraw/zinc/92/25/86/1083922586.db2.gz IBZVEWSZDUEWGX-UHFFFAOYSA-N 1 1 350.506 4.396 20 30 FIEDMO CCCOc1c(Br)cc(C[NH2+]CC(C)(C)C#N)cc1OCC ZINC000612585651 1083927724 /nfs/dbraw/zinc/92/77/24/1083927724.db2.gz NPTIOFRPFKGKQT-UHFFFAOYSA-N 1 1 369.303 4.276 20 30 FIEDMO COc1ccc(CC[N@@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)cc1 ZINC000610992534 1083942652 /nfs/dbraw/zinc/94/26/52/1083942652.db2.gz NZYZJHUKIMAPQY-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO COc1ccc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1C#N ZINC000610995066 1083948172 /nfs/dbraw/zinc/94/81/72/1083948172.db2.gz YQAFVQBMHIRBNB-UHFFFAOYSA-N 1 1 357.457 4.473 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cc1C#N ZINC000610995066 1083948176 /nfs/dbraw/zinc/94/81/76/1083948176.db2.gz YQAFVQBMHIRBNB-UHFFFAOYSA-N 1 1 357.457 4.473 20 30 FIEDMO C=CC[NH+]1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000236663953 1083967590 /nfs/dbraw/zinc/96/75/90/1083967590.db2.gz KVEPWVVXJYINDC-UHFFFAOYSA-N 1 1 353.491 4.296 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673683 1084011435 /nfs/dbraw/zinc/01/14/35/1084011435.db2.gz AYSRSQYZYUDLCU-PZJWPPBQSA-N 1 1 357.542 4.427 20 30 FIEDMO Cn1cc(C[NH2+]Cc2c(F)cccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000376163421 1084272657 /nfs/dbraw/zinc/27/26/57/1084272657.db2.gz BIQNPAMQJDKSOJ-UHFFFAOYSA-N 1 1 354.816 4.041 20 30 FIEDMO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)cc1 ZINC000539242782 1084422503 /nfs/dbraw/zinc/42/25/03/1084422503.db2.gz BHEJCPLHBWHLGD-FQEVSTJZSA-N 1 1 362.433 4.104 20 30 FIEDMO N#CCCC[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000458805866 1084437004 /nfs/dbraw/zinc/43/70/04/1084437004.db2.gz VNJJIKJCGAVKDG-OAQYLSRUSA-N 1 1 368.525 4.081 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccc(C#N)c3F)C2)s1 ZINC000581073384 1084504738 /nfs/dbraw/zinc/50/47/38/1084504738.db2.gz HABWJWDBTKGNCW-MRXNPFEDSA-N 1 1 357.498 4.021 20 30 FIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000581733887 1084576293 /nfs/dbraw/zinc/57/62/93/1084576293.db2.gz LIYUTAXQBFQZDQ-KRWDZBQOSA-N 1 1 358.283 4.169 20 30 FIEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178533822 1084644743 /nfs/dbraw/zinc/64/47/43/1084644743.db2.gz MENHTRBHIMEKBL-UZLBHIALSA-N 1 1 362.477 4.041 20 30 FIEDMO C=CC[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1 ZINC000613367025 1084650204 /nfs/dbraw/zinc/65/02/04/1084650204.db2.gz WGBSTGPXDZYBTA-UHFFFAOYSA-N 1 1 356.267 4.285 20 30 FIEDMO C=CC[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1 ZINC000613367025 1084650208 /nfs/dbraw/zinc/65/02/08/1084650208.db2.gz WGBSTGPXDZYBTA-UHFFFAOYSA-N 1 1 356.267 4.285 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000613383669 1084677939 /nfs/dbraw/zinc/67/79/39/1084677939.db2.gz CKSDLLODNHQZLZ-RTWAWAEBSA-N 1 1 355.453 4.131 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000613383666 1084678582 /nfs/dbraw/zinc/67/85/82/1084678582.db2.gz CKSDLLODNHQZLZ-LEWJYISDSA-N 1 1 355.453 4.131 20 30 FIEDMO COc1c(Br)cccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551577473 1084681033 /nfs/dbraw/zinc/68/10/33/1084681033.db2.gz ZXTZYCCDOCPPSY-UHFFFAOYSA-N 1 1 357.251 4.108 20 30 FIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173774394 1084695474 /nfs/dbraw/zinc/69/54/74/1084695474.db2.gz DCMOKSYZHJNRGR-LPHOPBHVSA-N 1 1 358.445 4.295 20 30 FIEDMO C[C@H]([NH2+]Cc1ccsc1Br)c1ccc(OCC#N)cc1 ZINC000282423629 1084704952 /nfs/dbraw/zinc/70/49/52/1084704952.db2.gz LYTJAOTVWSDXAV-NSHDSACASA-N 1 1 351.269 4.264 20 30 FIEDMO CCC(CC)C[N@@H+](CCC#N)CCOc1ccccc1Br ZINC001167558934 1084805450 /nfs/dbraw/zinc/80/54/50/1084805450.db2.gz UOFCEWIJRZZZGM-UHFFFAOYSA-N 1 1 353.304 4.480 20 30 FIEDMO CCC(CC)C[N@H+](CCC#N)CCOc1ccccc1Br ZINC001167558934 1084805458 /nfs/dbraw/zinc/80/54/58/1084805458.db2.gz UOFCEWIJRZZZGM-UHFFFAOYSA-N 1 1 353.304 4.480 20 30 FIEDMO CCC[N@@H+](CC)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000472207867 1084819998 /nfs/dbraw/zinc/81/99/98/1084819998.db2.gz PTQQRONOBYPSAP-UHFFFAOYSA-N 1 1 367.518 4.171 20 30 FIEDMO C=CC[N@@H+](Cc1ccc2occc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000563313852 1084917268 /nfs/dbraw/zinc/91/72/68/1084917268.db2.gz BCTJQGVDLIUKII-MRXNPFEDSA-N 1 1 359.433 4.158 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511108766 1084936577 /nfs/dbraw/zinc/93/65/77/1084936577.db2.gz RPLHWBMQYWEZMI-NRFANRHFSA-N 1 1 369.415 4.059 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511108768 1084936709 /nfs/dbraw/zinc/93/67/09/1084936709.db2.gz RPLHWBMQYWEZMI-OAQYLSRUSA-N 1 1 369.415 4.059 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091840883 1084953982 /nfs/dbraw/zinc/95/39/82/1084953982.db2.gz XNWMEIDHHOVXMR-UHFFFAOYSA-N 1 1 371.893 4.391 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c1C ZINC000051650423 1084954938 /nfs/dbraw/zinc/95/49/38/1084954938.db2.gz YKBAMFVKXIYJMP-QFIPXVFZSA-N 1 1 361.489 4.169 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1SC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000511116915 1084962035 /nfs/dbraw/zinc/96/20/35/1084962035.db2.gz UJYDPJAEHMQUDT-INIZCTEOSA-N 1 1 365.506 4.133 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(F)c(F)c1 ZINC000187794606 1084963606 /nfs/dbraw/zinc/96/36/06/1084963606.db2.gz MYDWCTYFCMXFCE-HXUWFJFHSA-N 1 1 374.435 4.122 20 30 FIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CSc3ccc(C#N)cc3)c2C1 ZINC000158368369 1085052373 /nfs/dbraw/zinc/05/23/73/1085052373.db2.gz PHSWQTHGBZZOEX-UHFFFAOYSA-N 1 1 365.502 4.261 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000180335534 1085065829 /nfs/dbraw/zinc/06/58/29/1085065829.db2.gz LCDNIBHLQATXRE-UHFFFAOYSA-N 1 1 370.378 4.274 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000661381464 1085539650 /nfs/dbraw/zinc/53/96/50/1085539650.db2.gz LOKUPFFDDNVYBI-IBGZPJMESA-N 1 1 366.509 4.106 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@@H]1c1ccccc1 ZINC000075768402 1085545388 /nfs/dbraw/zinc/54/53/88/1085545388.db2.gz SFABBKDSRGIVMC-JXFKEZNVSA-N 1 1 358.445 4.234 20 30 FIEDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000582861436 1085843394 /nfs/dbraw/zinc/84/33/94/1085843394.db2.gz BGQXMPKKUNHLNB-MSOLQXFVSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000582861436 1085843404 /nfs/dbraw/zinc/84/34/04/1085843404.db2.gz BGQXMPKKUNHLNB-MSOLQXFVSA-N 1 1 374.271 4.040 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000187772800 1085928554 /nfs/dbraw/zinc/92/85/54/1085928554.db2.gz QVRAPAYQVWBBPM-ORAYPTAESA-N 1 1 355.388 4.070 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000662082948 1086115685 /nfs/dbraw/zinc/11/56/85/1086115685.db2.gz YPTPFBRESWONKF-UEXGIBASSA-N 1 1 352.503 4.137 20 30 FIEDMO C=CCOc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278102349 1086295163 /nfs/dbraw/zinc/29/51/63/1086295163.db2.gz ZMBVMGSCGSQWPV-UHFFFAOYSA-N 1 1 367.449 4.030 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154102953 1086296313 /nfs/dbraw/zinc/29/63/13/1086296313.db2.gz DKVCYIYLFIIPSY-KSFYIVLOSA-N 1 1 361.420 4.391 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187778352 1086370523 /nfs/dbraw/zinc/37/05/23/1086370523.db2.gz ULFKGJBNGOAXFM-ZUOKHONESA-N 1 1 372.415 4.401 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000583190402 1086376165 /nfs/dbraw/zinc/37/61/65/1086376165.db2.gz RAMWTFFHQNQOFP-HXUWFJFHSA-N 1 1 370.456 4.378 20 30 FIEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000278126431 1086386492 /nfs/dbraw/zinc/38/64/92/1086386492.db2.gz BNYWITNOFCFHPF-OAHLLOKOSA-N 1 1 362.399 4.238 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000066955191 1086478196 /nfs/dbraw/zinc/47/81/96/1086478196.db2.gz IIHWLJIORQHGOM-MRXNPFEDSA-N 1 1 374.554 4.419 20 30 FIEDMO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc(C#N)cc1 ZINC000278266598 1086715367 /nfs/dbraw/zinc/71/53/67/1086715367.db2.gz OPIDTCYGLBNDNT-ROUUACIJSA-N 1 1 365.506 4.136 20 30 FIEDMO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc(C#N)cc1 ZINC000278266603 1086715738 /nfs/dbraw/zinc/71/57/38/1086715738.db2.gz OPIDTCYGLBNDNT-ZWKOTPCHSA-N 1 1 365.506 4.136 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCc1ccccc1 ZINC000536083469 1086843497 /nfs/dbraw/zinc/84/34/97/1086843497.db2.gz FVAALZGWAVVGGF-GOSISDBHSA-N 1 1 367.468 4.025 20 30 FIEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000329349184 1086920884 /nfs/dbraw/zinc/92/08/84/1086920884.db2.gz CYKBKYJBBCAMKC-HMXCVIKNSA-N 1 1 366.509 4.236 20 30 FIEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000583721447 1086936214 /nfs/dbraw/zinc/93/62/14/1086936214.db2.gz ZCCIHRDIDZWBCO-INIZCTEOSA-N 1 1 366.465 4.201 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246712234 1086948361 /nfs/dbraw/zinc/94/83/61/1086948361.db2.gz KKUKJPGNXGYBAA-ARFHVFGLSA-N 1 1 360.527 4.027 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000583900867 1087022020 /nfs/dbraw/zinc/02/20/20/1087022020.db2.gz ZTWIBPMHECDLFQ-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329576587 1087054152 /nfs/dbraw/zinc/05/41/52/1087054152.db2.gz SHSYCHIYHBAYSH-GDBMZVCRSA-N 1 1 351.878 4.080 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187787237 1087311288 /nfs/dbraw/zinc/31/12/88/1087311288.db2.gz YVOKHGGNTRNHBD-VOJFVSQTSA-N 1 1 366.358 4.477 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc3ccccc32)c(C#N)c1C ZINC000053017269 1087315280 /nfs/dbraw/zinc/31/52/80/1087315280.db2.gz SAJRMUHHJUUBID-HNNXBMFYSA-N 1 1 361.445 4.380 20 30 FIEDMO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Cl)cc1C#N ZINC000708569661 1087587831 /nfs/dbraw/zinc/58/78/31/1087587831.db2.gz JFBQFEDOWDUZHL-RDTXWAMCSA-N 1 1 354.885 4.095 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187789047 1087649237 /nfs/dbraw/zinc/64/92/37/1087649237.db2.gz ZJXMPPRAJYDCPB-HXUWFJFHSA-N 1 1 358.388 4.013 20 30 FIEDMO Cc1c(Cl)cnc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1C#N ZINC000612087675 1087751040 /nfs/dbraw/zinc/75/10/40/1087751040.db2.gz VCEUZPIBGJBSFF-OAHLLOKOSA-N 1 1 354.885 4.016 20 30 FIEDMO COc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1OCCCC#N ZINC000424188737 1087834693 /nfs/dbraw/zinc/83/46/93/1087834693.db2.gz CCPYXHNLHJHNQL-RTWAWAEBSA-N 1 1 354.425 4.105 20 30 FIEDMO COc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001143473043 1087957285 /nfs/dbraw/zinc/95/72/85/1087957285.db2.gz KUSBQDVLBXTJJM-CYBMUJFWSA-N 1 1 359.285 4.438 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001143473043 1087957290 /nfs/dbraw/zinc/95/72/90/1087957290.db2.gz KUSBQDVLBXTJJM-CYBMUJFWSA-N 1 1 359.285 4.438 20 30 FIEDMO C=CCCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000505001434 1088030522 /nfs/dbraw/zinc/03/05/22/1088030522.db2.gz TTXCPBAXGQZTAA-GHTZIAJQSA-N 1 1 353.510 4.286 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000505006030 1088044602 /nfs/dbraw/zinc/04/46/02/1088044602.db2.gz QACYZYQWHGNODT-UHFFFAOYSA-N 1 1 355.457 4.198 20 30 FIEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000180735897 1088049771 /nfs/dbraw/zinc/04/97/71/1088049771.db2.gz OYTWFJJELYLRIF-NQIIRXRSSA-N 1 1 351.519 4.106 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000505029452 1088070811 /nfs/dbraw/zinc/07/08/11/1088070811.db2.gz NLEKAIIEPCPCPJ-INIZCTEOSA-N 1 1 369.534 4.435 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000505029452 1088070825 /nfs/dbraw/zinc/07/08/25/1088070825.db2.gz NLEKAIIEPCPCPJ-INIZCTEOSA-N 1 1 369.534 4.435 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434348313 1088522149 /nfs/dbraw/zinc/52/21/49/1088522149.db2.gz BXFSFIBFWKQCBM-OAHLLOKOSA-N 1 1 367.946 4.116 20 30 FIEDMO C=CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425073188 1088536873 /nfs/dbraw/zinc/53/68/73/1088536873.db2.gz ANZJMESLYTZUQZ-UHFFFAOYSA-N 1 1 371.506 4.117 20 30 FIEDMO C=CCOC(=O)[C@@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1)[C@@H](C)CC ZINC001167955201 1088557437 /nfs/dbraw/zinc/55/74/37/1088557437.db2.gz KKZMESWSRKCJFR-ZWOKBUDYSA-N 1 1 359.514 4.012 20 30 FIEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472646566 1088884684 /nfs/dbraw/zinc/88/46/84/1088884684.db2.gz AOHXPVVHHIXTRH-DZGCQCFKSA-N 1 1 356.329 4.245 20 30 FIEDMO O=C(c1ccc(F)cc1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000434679272 1088929143 /nfs/dbraw/zinc/92/91/43/1088929143.db2.gz BNQBHOMDVYWNPZ-UHFFFAOYSA-N 1 1 355.840 4.426 20 30 FIEDMO N#Cc1cc(Cl)ccc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690837 1088948941 /nfs/dbraw/zinc/94/89/41/1088948941.db2.gz KSBMDUZZGXPAMV-UHFFFAOYSA-N 1 1 354.885 4.124 20 30 FIEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000472673808 1089050525 /nfs/dbraw/zinc/05/05/25/1089050525.db2.gz YZZDWTQRGXSFNG-WMLDXEAASA-N 1 1 371.308 4.114 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000472673808 1089050541 /nfs/dbraw/zinc/05/05/41/1089050541.db2.gz YZZDWTQRGXSFNG-WMLDXEAASA-N 1 1 371.308 4.114 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCc2ccccc21 ZINC000434841815 1089069802 /nfs/dbraw/zinc/06/98/02/1089069802.db2.gz ZWFNQSKFWIXGCV-LJQANCHMSA-N 1 1 351.450 4.106 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)c3ccccc32)c1C#N ZINC000514630767 1089270086 /nfs/dbraw/zinc/27/00/86/1089270086.db2.gz MZSWNXFPRXIUHA-CQSZACIVSA-N 1 1 362.404 4.488 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000514683876 1089336431 /nfs/dbraw/zinc/33/64/31/1089336431.db2.gz KRQSUZZEWAPJBY-NJYVYQBISA-N 1 1 354.881 4.015 20 30 FIEDMO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000514695775 1089381252 /nfs/dbraw/zinc/38/12/52/1089381252.db2.gz BSLCKMGOCWOHGX-UHFFFAOYSA-N 1 1 353.432 4.131 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC[C@H]1Sc2ccccc2NC1=O ZINC000659857061 1089657769 /nfs/dbraw/zinc/65/77/69/1089657769.db2.gz JUSWCPPVWPQGFC-HXUWFJFHSA-N 1 1 352.503 4.220 20 30 FIEDMO C=CCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472837988 1089712150 /nfs/dbraw/zinc/71/21/50/1089712150.db2.gz XYFGVTKAUMJPPG-RTWAWAEBSA-N 1 1 355.526 4.039 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000515135163 1089816957 /nfs/dbraw/zinc/81/69/57/1089816957.db2.gz UWWIQXFYNZBQBT-HSZRJFAPSA-N 1 1 374.484 4.363 20 30 FIEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472879062 1089867248 /nfs/dbraw/zinc/86/72/48/1089867248.db2.gz VIHBMXDYBSGTTA-RXVVDRJESA-N 1 1 361.489 4.033 20 30 FIEDMO C=CCC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000435758445 1089932823 /nfs/dbraw/zinc/93/28/23/1089932823.db2.gz DQLRJUVDKPLLPZ-TZIWHRDSSA-N 1 1 355.526 4.067 20 30 FIEDMO COc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1OCCCC#N ZINC000363956646 1090567678 /nfs/dbraw/zinc/56/76/78/1090567678.db2.gz ALDOFNUMPFOCNV-QGZVFWFLSA-N 1 1 372.852 4.254 20 30 FIEDMO N#Cc1csc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC001125896412 1090631673 /nfs/dbraw/zinc/63/16/73/1090631673.db2.gz PHMJJKDHINXTNQ-KRWDZBQOSA-N 1 1 373.909 4.058 20 30 FIEDMO N#Cc1csc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC001125896412 1090631681 /nfs/dbraw/zinc/63/16/81/1090631681.db2.gz PHMJJKDHINXTNQ-KRWDZBQOSA-N 1 1 373.909 4.058 20 30 FIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000500185706 1091090084 /nfs/dbraw/zinc/09/00/84/1091090084.db2.gz KODJFZXSESQKFI-NRFANRHFSA-N 1 1 369.896 4.157 20 30 FIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000500185706 1091090090 /nfs/dbraw/zinc/09/00/90/1091090090.db2.gz KODJFZXSESQKFI-NRFANRHFSA-N 1 1 369.896 4.157 20 30 FIEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1c(C#N)cnc2c(Br)cccc21 ZINC000566651530 1091259360 /nfs/dbraw/zinc/25/93/60/1091259360.db2.gz CAUHOLWZRSWPRV-GFCCVEGCSA-N 1 1 361.287 4.010 20 30 FIEDMO COc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1OCCCC#N ZINC000511664958 1091518862 /nfs/dbraw/zinc/51/88/62/1091518862.db2.gz QBVWBLLHJRJYAP-VCWRXUFXSA-N 1 1 354.494 4.388 20 30 FIEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1OC ZINC001167767297 1091675617 /nfs/dbraw/zinc/67/56/17/1091675617.db2.gz TYWSNULBLXCNHX-SJORKVTESA-N 1 1 352.425 4.185 20 30 FIEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000279356363 1091884301 /nfs/dbraw/zinc/88/43/01/1091884301.db2.gz GUENIIMBANJPLM-OAQYLSRUSA-N 1 1 371.488 4.157 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)cs1 ZINC000512213880 1091917834 /nfs/dbraw/zinc/91/78/34/1091917834.db2.gz PQBPTIHTFIPKLN-UHFFFAOYSA-N 1 1 356.285 4.174 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)cs1 ZINC000512213880 1091917838 /nfs/dbraw/zinc/91/78/38/1091917838.db2.gz PQBPTIHTFIPKLN-UHFFFAOYSA-N 1 1 356.285 4.174 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000728912742 1092157059 /nfs/dbraw/zinc/15/70/59/1092157059.db2.gz WCDAKFDCKOAUNF-UHFFFAOYSA-N 1 1 370.456 4.157 20 30 FIEDMO C=CCc1cc(C[N@H+](CC=C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000512379936 1092193370 /nfs/dbraw/zinc/19/33/70/1092193370.db2.gz SBACRVMSFJGMTO-UHFFFAOYSA-N 1 1 368.433 4.226 20 30 FIEDMO C=CCc1cc(C[N@@H+](CC=C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000512379936 1092193374 /nfs/dbraw/zinc/19/33/74/1092193374.db2.gz SBACRVMSFJGMTO-UHFFFAOYSA-N 1 1 368.433 4.226 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432742662 1092238144 /nfs/dbraw/zinc/23/81/44/1092238144.db2.gz PGELBAKEBVSKEI-UHFFFAOYSA-N 1 1 365.424 4.351 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432742662 1092238156 /nfs/dbraw/zinc/23/81/56/1092238156.db2.gz PGELBAKEBVSKEI-UHFFFAOYSA-N 1 1 365.424 4.351 20 30 FIEDMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCC3)cc1 ZINC000520798678 1092241410 /nfs/dbraw/zinc/24/14/10/1092241410.db2.gz ZOXNCNFSDXSFLS-YOEHRIQHSA-N 1 1 366.490 4.229 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)c1C#N ZINC000429579943 1092336264 /nfs/dbraw/zinc/33/62/64/1092336264.db2.gz XXIVAIXZQWXCMQ-KSSFIOAISA-N 1 1 356.514 4.151 20 30 FIEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000438898718 1092465482 /nfs/dbraw/zinc/46/54/82/1092465482.db2.gz XKLDTBNSPMINEK-QGZVFWFLSA-N 1 1 361.489 4.029 20 30 FIEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000438895229 1092473286 /nfs/dbraw/zinc/47/32/86/1092473286.db2.gz IZDOKDJCZKWLHX-SFHVURJKSA-N 1 1 361.489 4.171 20 30 FIEDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000500844320 1092636114 /nfs/dbraw/zinc/63/61/14/1092636114.db2.gz YTGKUWMSILKOEC-QWRGUYRKSA-N 1 1 363.795 4.168 20 30 FIEDMO C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432874079 1092656764 /nfs/dbraw/zinc/65/67/64/1092656764.db2.gz TWRIOBWYNDEJKM-HNNXBMFYSA-N 1 1 359.477 4.492 20 30 FIEDMO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432874079 1092656775 /nfs/dbraw/zinc/65/67/75/1092656775.db2.gz TWRIOBWYNDEJKM-HNNXBMFYSA-N 1 1 359.477 4.492 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccc1C#N ZINC000442883318 1092837986 /nfs/dbraw/zinc/83/79/86/1092837986.db2.gz UQSNFGRUIMNNOY-QGZVFWFLSA-N 1 1 367.518 4.282 20 30 FIEDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839813 /nfs/dbraw/zinc/83/98/13/1092839813.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 1 1 363.505 4.052 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC001167911754 1092867313 /nfs/dbraw/zinc/86/73/13/1092867313.db2.gz JWQVBJGJJBKBDO-OAHLLOKOSA-N 1 1 363.486 4.299 20 30 FIEDMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000443069463 1092926743 /nfs/dbraw/zinc/92/67/43/1092926743.db2.gz OWXFFRUDZHVOIJ-UTKZUKDTSA-N 1 1 350.462 4.137 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@@H](C)C1 ZINC000246022175 1092977306 /nfs/dbraw/zinc/97/73/06/1092977306.db2.gz MLVCIZWKHUOMMU-BQFCYCMXSA-N 1 1 374.554 4.275 20 30 FIEDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(C#N)cc1F ZINC000512621464 1092998953 /nfs/dbraw/zinc/99/89/53/1092998953.db2.gz YFSWENJCVAAGNR-CQSZACIVSA-N 1 1 351.425 4.287 20 30 FIEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614161029 1093015720 /nfs/dbraw/zinc/01/57/20/1093015720.db2.gz PFOLTADMAFTUGR-PKOBYXMFSA-N 1 1 355.526 4.005 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000614168915 1093039944 /nfs/dbraw/zinc/03/99/44/1093039944.db2.gz HCVGYYAYRPNRCB-KRWDZBQOSA-N 1 1 350.466 4.128 20 30 FIEDMO COc1ccc([C@H](CN[C@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000512655335 1093083940 /nfs/dbraw/zinc/08/39/40/1093083940.db2.gz TUPAYHNBGNBGAG-ZHRRBRCNSA-N 1 1 367.468 4.194 20 30 FIEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000433009867 1093097716 /nfs/dbraw/zinc/09/77/16/1093097716.db2.gz ACIILUXOHCXPJQ-OAQYLSRUSA-N 1 1 363.461 4.123 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433059573 1093179389 /nfs/dbraw/zinc/17/93/89/1093179389.db2.gz ULJXFVXNYDNXLG-TZIWHRDSSA-N 1 1 361.489 4.201 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000051231020 1093182154 /nfs/dbraw/zinc/18/21/54/1093182154.db2.gz VOTWYNANOXWXTP-LJQANCHMSA-N 1 1 367.518 4.449 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000051231020 1093182160 /nfs/dbraw/zinc/18/21/60/1093182160.db2.gz VOTWYNANOXWXTP-LJQANCHMSA-N 1 1 367.518 4.449 20 30 FIEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCc2ccccc21 ZINC000008126334 1093279799 /nfs/dbraw/zinc/27/97/99/1093279799.db2.gz VYTINQYGXZMLQO-IBGZPJMESA-N 1 1 365.502 4.250 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443593372 1093294583 /nfs/dbraw/zinc/29/45/83/1093294583.db2.gz ORNOUKTWAHCDPH-INIZCTEOSA-N 1 1 374.554 4.467 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411486422 1093330951 /nfs/dbraw/zinc/33/09/51/1093330951.db2.gz KSUPURKOEXBAAL-FUHWJXTLSA-N 1 1 358.507 4.124 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411486422 1093330963 /nfs/dbraw/zinc/33/09/63/1093330963.db2.gz KSUPURKOEXBAAL-FUHWJXTLSA-N 1 1 358.507 4.124 20 30 FIEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000443636212 1093358346 /nfs/dbraw/zinc/35/83/46/1093358346.db2.gz AHYKKBHWJCBOAM-MRXNPFEDSA-N 1 1 365.408 4.097 20 30 FIEDMO C[C@H]1CC([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168023498 1093361648 /nfs/dbraw/zinc/36/16/48/1093361648.db2.gz XBLFDBUQCPOTOM-IRXDYDNUSA-N 1 1 351.469 4.229 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c(F)c1 ZINC000512805948 1093367318 /nfs/dbraw/zinc/36/73/18/1093367318.db2.gz OEHQFTUHINLNRA-UHFFFAOYSA-N 1 1 369.827 4.266 20 30 FIEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000113570673 1093415221 /nfs/dbraw/zinc/41/52/21/1093415221.db2.gz XWKALQNRNWJOFY-DLBZAZTESA-N 1 1 374.554 4.467 20 30 FIEDMO CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000474149180 1093460589 /nfs/dbraw/zinc/46/05/89/1093460589.db2.gz ZWWJYTVDEGLQOM-HNNXBMFYSA-N 1 1 365.868 4.375 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433312737 1093565599 /nfs/dbraw/zinc/56/55/99/1093565599.db2.gz NECGPJUIGPIOKL-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)C#N ZINC000433307556 1093573377 /nfs/dbraw/zinc/57/33/77/1093573377.db2.gz VEIHJPDPOODWDL-UHFFFAOYSA-N 1 1 351.450 4.289 20 30 FIEDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1Cl ZINC000474210389 1093585608 /nfs/dbraw/zinc/58/56/08/1093585608.db2.gz KLCAQJJORUHBEV-IBGZPJMESA-N 1 1 369.896 4.174 20 30 FIEDMO Cc1ccccc1-n1nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000474389833 1093732112 /nfs/dbraw/zinc/73/21/12/1093732112.db2.gz IXXCFANMDKDMER-UHFFFAOYSA-N 1 1 354.457 4.342 20 30 FIEDMO Cc1ccccc1-n1nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000474389833 1093732115 /nfs/dbraw/zinc/73/21/15/1093732115.db2.gz IXXCFANMDKDMER-UHFFFAOYSA-N 1 1 354.457 4.342 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000513068832 1093755805 /nfs/dbraw/zinc/75/58/05/1093755805.db2.gz KXPAOMYNIVBHNQ-HKKHYUGTSA-N 1 1 367.537 4.242 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000398053724 1093807016 /nfs/dbraw/zinc/80/70/16/1093807016.db2.gz YQGYYZPPVFNNBZ-HRAATJIYSA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000398053724 1093807019 /nfs/dbraw/zinc/80/70/19/1093807019.db2.gz YQGYYZPPVFNNBZ-HRAATJIYSA-N 1 1 353.897 4.212 20 30 FIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]2CCCO2)c1 ZINC000614396672 1093813480 /nfs/dbraw/zinc/81/34/80/1093813480.db2.gz CNGYUDZJMVETGK-QFIPXVFZSA-N 1 1 350.462 4.057 20 30 FIEDMO Cc1cc(C#N)ccc1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000614397521 1093814668 /nfs/dbraw/zinc/81/46/68/1093814668.db2.gz BQKJWJBNVOKITH-KBPBESRZSA-N 1 1 350.306 4.429 20 30 FIEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1C)C[C@H]1CCCO1 ZINC000614397709 1093814812 /nfs/dbraw/zinc/81/48/12/1093814812.db2.gz SSOAASIQVCSHAV-OAQYLSRUSA-N 1 1 350.462 4.057 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000513091225 1093828333 /nfs/dbraw/zinc/82/83/33/1093828333.db2.gz YTYRRNFMQVDHMY-HKKHYUGTSA-N 1 1 367.537 4.242 20 30 FIEDMO Cc1[nH+]ccn1CCCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000729375251 1093976915 /nfs/dbraw/zinc/97/69/15/1093976915.db2.gz AVKMSFUUSMQKNF-UHFFFAOYSA-N 1 1 360.417 4.274 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247621 1094027932 /nfs/dbraw/zinc/02/79/32/1094027932.db2.gz SZSOTMLMUCJOSM-LPHOPBHVSA-N 1 1 365.502 4.324 20 30 FIEDMO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000513391550 1094093795 /nfs/dbraw/zinc/09/37/95/1094093795.db2.gz DDJZFPZZWZKPEO-MRXNPFEDSA-N 1 1 361.445 4.004 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000513383683 1094097688 /nfs/dbraw/zinc/09/76/88/1094097688.db2.gz KWOSYEHRIJNYFC-HXUWFJFHSA-N 1 1 360.461 4.166 20 30 FIEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000513515774 1094177058 /nfs/dbraw/zinc/17/70/58/1094177058.db2.gz QMEZQIIAFHHZLG-HYBUGGRVSA-N 1 1 372.468 4.288 20 30 FIEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000664213843 1094237219 /nfs/dbraw/zinc/23/72/19/1094237219.db2.gz RKJLLLITLLVSJF-IMBTUZDBSA-N 1 1 359.539 4.024 20 30 FIEDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280217732 1094308548 /nfs/dbraw/zinc/30/85/48/1094308548.db2.gz GCYUWWYPVMNWHL-AWEZNQCLSA-N 1 1 357.454 4.073 20 30 FIEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280217732 1094308564 /nfs/dbraw/zinc/30/85/64/1094308564.db2.gz GCYUWWYPVMNWHL-AWEZNQCLSA-N 1 1 357.454 4.073 20 30 FIEDMO C[N@@H+](CCC1CCOCC1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000129677083 1094443644 /nfs/dbraw/zinc/44/36/44/1094443644.db2.gz PEGCXQCPWOMJFK-UHFFFAOYSA-N 1 1 364.489 4.386 20 30 FIEDMO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)ccc1OCc1cccc(C#N)c1 ZINC000501421140 1094702377 /nfs/dbraw/zinc/70/23/77/1094702377.db2.gz VKZOONZVFVNKDL-NRFANRHFSA-N 1 1 354.425 4.080 20 30 FIEDMO COc1cc(C[N@H+]2CC[C@](C)(F)C2)ccc1OCc1cccc(C#N)c1 ZINC000501421140 1094702395 /nfs/dbraw/zinc/70/23/95/1094702395.db2.gz VKZOONZVFVNKDL-NRFANRHFSA-N 1 1 354.425 4.080 20 30 FIEDMO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329004050 1094710048 /nfs/dbraw/zinc/71/00/48/1094710048.db2.gz WUZCMKOIMMEQSV-IBGZPJMESA-N 1 1 371.525 4.147 20 30 FIEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC12CCC2 ZINC000329139091 1094754125 /nfs/dbraw/zinc/75/41/25/1094754125.db2.gz IUMQVBISIODIAX-AWEZNQCLSA-N 1 1 373.888 4.021 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCCCO1)C1CCCCC1 ZINC000329144097 1094755656 /nfs/dbraw/zinc/75/56/56/1094755656.db2.gz MRRVENMACQLAFQ-IBGZPJMESA-N 1 1 359.514 4.346 20 30 FIEDMO N#Cc1cccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1F ZINC000501546666 1094758713 /nfs/dbraw/zinc/75/87/13/1094758713.db2.gz PYXNZNIFMMCKJC-HNNXBMFYSA-N 1 1 361.214 4.073 20 30 FIEDMO C[N@@H+]1CC=C(CNC(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1 ZINC000329177654 1094766918 /nfs/dbraw/zinc/76/69/18/1094766918.db2.gz CGOWRGWSLLHJMB-UHFFFAOYSA-N 1 1 366.509 4.302 20 30 FIEDMO O=C(Nc1cccc(COC2CCCCC2)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329211557 1094784262 /nfs/dbraw/zinc/78/42/62/1094784262.db2.gz HEFDHUHTWCZYAR-RTWAWAEBSA-N 1 1 371.525 4.298 20 30 FIEDMO Cc1cc(C2CCN([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)[nH]n1 ZINC000329285844 1094818427 /nfs/dbraw/zinc/81/84/27/1094818427.db2.gz LUZOITQSPJAKMJ-CYBMUJFWSA-N 1 1 369.494 4.184 20 30 FIEDMO COc1ccc([C@@H]2CC[N@H+](Cc3cc(Br)ccc3C#N)C2)cc1 ZINC001141905042 1094864488 /nfs/dbraw/zinc/86/44/88/1094864488.db2.gz NRUUDKRDDJQMQP-MRXNPFEDSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3C#N)C2)cc1 ZINC001141905042 1094864509 /nfs/dbraw/zinc/86/45/09/1094864509.db2.gz NRUUDKRDDJQMQP-MRXNPFEDSA-N 1 1 371.278 4.319 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001141905082 1094866885 /nfs/dbraw/zinc/86/68/85/1094866885.db2.gz PPOTVDLTNKDQBL-IYBDPMFKSA-N 1 1 353.263 4.407 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001141905082 1094866903 /nfs/dbraw/zinc/86/69/03/1094866903.db2.gz PPOTVDLTNKDQBL-IYBDPMFKSA-N 1 1 353.263 4.407 20 30 FIEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1C#N ZINC001141907851 1094928309 /nfs/dbraw/zinc/92/83/09/1094928309.db2.gz QYXCIXFMZJEVQH-UHFFFAOYSA-N 1 1 373.250 4.072 20 30 FIEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1C#N ZINC001141907851 1094928310 /nfs/dbraw/zinc/92/83/10/1094928310.db2.gz QYXCIXFMZJEVQH-UHFFFAOYSA-N 1 1 373.250 4.072 20 30 FIEDMO CCn1cc(C2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000329520309 1094951634 /nfs/dbraw/zinc/95/16/34/1094951634.db2.gz QIGNKVWOHOECPL-UHFFFAOYSA-N 1 1 370.541 4.008 20 30 FIEDMO CC(C)c1nc2ccc(NC(=O)NC[C@H]3CCc4[nH+]ccn4C3)cc2s1 ZINC000329809949 1095271804 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C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449884452 1110191984 /nfs/dbraw/zinc/19/19/84/1110191984.db2.gz FEAQHLUSDSYQFE-NVXWUHKLSA-N 1 1 368.443 4.417 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1)CC(C)C ZINC000450383948 1110291560 /nfs/dbraw/zinc/29/15/60/1110291560.db2.gz ACBXJNNLYSMGOU-QFIPXVFZSA-N 1 1 359.558 4.067 20 30 FIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[C@@H](CC#N)C3)c2c1C ZINC000450671841 1110328400 /nfs/dbraw/zinc/32/84/00/1110328400.db2.gz IZAABCOSSUDXSS-HOTGVXAUSA-N 1 1 369.538 4.398 20 30 FIEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000538467328 1111154598 /nfs/dbraw/zinc/15/45/98/1111154598.db2.gz CXUHZIPGBANAGC-HNNXBMFYSA-N 1 1 368.262 4.368 20 30 FIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000538467328 1111154602 /nfs/dbraw/zinc/15/46/02/1111154602.db2.gz CXUHZIPGBANAGC-HNNXBMFYSA-N 1 1 368.262 4.368 20 30 FIEDMO C=CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461443085 1111216250 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C=CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000490823055 1114339140 /nfs/dbraw/zinc/33/91/40/1114339140.db2.gz KNLPUHSICOGVRC-UHFFFAOYSA-N 1 1 361.445 4.007 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(F)cc1C#N ZINC000491072708 1114365641 /nfs/dbraw/zinc/36/56/41/1114365641.db2.gz AEJWWCAJRBHGHP-UHFFFAOYSA-N 1 1 366.415 4.291 20 30 FIEDMO COc1c(C)cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1C ZINC000491182165 1114377692 /nfs/dbraw/zinc/37/76/92/1114377692.db2.gz IFLFLFVSGMEQAJ-UHFFFAOYSA-N 1 1 374.488 4.216 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783078 1114392431 /nfs/dbraw/zinc/39/24/31/1114392431.db2.gz TYGQRCYKPTZKSB-MRXNPFEDSA-N 1 1 357.523 4.285 20 30 FIEDMO N#Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccc2n1 ZINC000588072565 1114518911 /nfs/dbraw/zinc/51/89/11/1114518911.db2.gz KYUFUKMQWDWVFG-DEOSSOPVSA-N 1 1 368.484 4.209 20 30 FIEDMO N#CCCCCCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000588162070 1114530745 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ZINC000173416308 1119039504 /nfs/dbraw/zinc/03/95/04/1119039504.db2.gz FBJSTIAEJRCQDL-UHFFFAOYSA-N 1 1 367.493 4.019 20 30 FIEDMO C=CC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000173416308 1119039509 /nfs/dbraw/zinc/03/95/09/1119039509.db2.gz FBJSTIAEJRCQDL-UHFFFAOYSA-N 1 1 367.493 4.019 20 30 FIEDMO CC[NH+](CC)[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000609159588 1119169660 /nfs/dbraw/zinc/16/96/60/1119169660.db2.gz SNSKNSFKRDLBNB-OAHLLOKOSA-N 1 1 374.535 4.089 20 30 FIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000177905045 1119360932 /nfs/dbraw/zinc/36/09/32/1119360932.db2.gz FYCSMAOQQLAWLA-GOSISDBHSA-N 1 1 352.526 4.099 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182914964 1119563312 /nfs/dbraw/zinc/56/33/12/1119563312.db2.gz BWYQPYDMMXLVRG-PZJWPPBQSA-N 1 1 369.553 4.080 20 30 FIEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000184255462 1119600231 /nfs/dbraw/zinc/60/02/31/1119600231.db2.gz QGZSCGJVMACCSB-UHFFFAOYSA-N 1 1 374.423 4.102 20 30 FIEDMO C=CCC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)c1ccccc1 ZINC000186050451 1119702679 /nfs/dbraw/zinc/70/26/79/1119702679.db2.gz SJEXTYWNQPHFBW-INIZCTEOSA-N 1 1 355.507 4.210 20 30 FIEDMO C=CCC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)c1ccccc1 ZINC000186050451 1119702683 /nfs/dbraw/zinc/70/26/83/1119702683.db2.gz SJEXTYWNQPHFBW-INIZCTEOSA-N 1 1 355.507 4.210 20 30 FIEDMO COc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1OCCCC#N ZINC000187676997 1119794593 /nfs/dbraw/zinc/79/45/93/1119794593.db2.gz VWUSOQKWBANCBD-UHFFFAOYSA-N 1 1 362.473 4.425 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267794 1119816718 /nfs/dbraw/zinc/81/67/18/1119816718.db2.gz JQDGALCJNIPPOL-XJZVHDHVSA-N 1 1 361.489 4.357 20 30 FIEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193178894 1120108324 /nfs/dbraw/zinc/10/83/24/1120108324.db2.gz XRACCIJYWQOYAA-KRWDZBQOSA-N 1 1 356.514 4.121 20 30 FIEDMO Cc1cnc(C2CC[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)s1 ZINC000762169156 1120753960 /nfs/dbraw/zinc/75/39/60/1120753960.db2.gz JPYKOIZLJNAJBB-UHFFFAOYSA-N 1 1 363.490 4.024 20 30 FIEDMO CC(=NNc1cccc(Cl)c1C)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000915051371 1120763746 /nfs/dbraw/zinc/76/37/46/1120763746.db2.gz QVWUJCSUVSFHJF-UHFFFAOYSA-N 1 1 373.884 4.022 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c(O)c(OC)c1 ZINC000915836425 1121123417 /nfs/dbraw/zinc/12/34/17/1121123417.db2.gz MDPXINUDMBHQNP-FQEVSTJZSA-N 1 1 353.462 4.475 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000107073010 1121286409 /nfs/dbraw/zinc/28/64/09/1121286409.db2.gz VCICCMATAHQJMI-CVEARBPZSA-N 1 1 355.507 4.050 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000763242689 1121302069 /nfs/dbraw/zinc/30/20/69/1121302069.db2.gz VYYIQOIDMMEMLS-ZEQRLZLVSA-N 1 1 354.453 4.239 20 30 FIEDMO N#Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1Cl ZINC000553147755 1121662333 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GPDLERNMENWAOD-SIKLNZKXSA-N 1 1 363.505 4.052 20 30 FIEDMO N#CCSCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000072515166 1123074081 /nfs/dbraw/zinc/07/40/81/1123074081.db2.gz HPVWZEWOESCUKM-UHFFFAOYSA-N 1 1 353.466 4.346 20 30 FIEDMO CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000921089560 1123562447 /nfs/dbraw/zinc/56/24/47/1123562447.db2.gz XTSRYUPCCPALPY-DRPZRUTHSA-N 1 1 373.500 4.255 20 30 FIEDMO Cc1ccc([C@@H](CNc2ccc(C#N)c(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000609502473 1123729259 /nfs/dbraw/zinc/72/92/59/1123729259.db2.gz VQTAQFMGSPUCEA-HXUWFJFHSA-N 1 1 355.869 4.006 20 30 FIEDMO C=CCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1-c1ccccc1F ZINC000195568990 1123737983 /nfs/dbraw/zinc/73/79/83/1123737983.db2.gz LCIJMYTYYFIFDQ-HNNXBMFYSA-N 1 1 360.502 4.237 20 30 FIEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609991151 1123917066 /nfs/dbraw/zinc/91/70/66/1123917066.db2.gz FWLZDAPWHLRRCS-ICSRJNTNSA-N 1 1 367.880 4.418 20 30 FIEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609991151 1123917067 /nfs/dbraw/zinc/91/70/67/1123917067.db2.gz FWLZDAPWHLRRCS-ICSRJNTNSA-N 1 1 367.880 4.418 20 30 FIEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000237596665 1123993800 /nfs/dbraw/zinc/99/38/00/1123993800.db2.gz XYGVBWZSAGXGFI-WIYYLYMNSA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)cc1 ZINC000237596665 1123993803 /nfs/dbraw/zinc/99/38/03/1123993803.db2.gz XYGVBWZSAGXGFI-WIYYLYMNSA-N 1 1 355.526 4.112 20 30 FIEDMO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1F ZINC000179627058 1124014982 /nfs/dbraw/zinc/01/49/82/1124014982.db2.gz PYCWVZZBBWZBAC-INIZCTEOSA-N 1 1 363.795 4.169 20 30 FIEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1F ZINC000615463611 1124017768 /nfs/dbraw/zinc/01/77/68/1124017768.db2.gz AFEVPVOUYPQVNT-UHFFFAOYSA-N 1 1 360.860 4.174 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)c1 ZINC000237825908 1124118724 /nfs/dbraw/zinc/11/87/24/1124118724.db2.gz LXSYROGJALSLGN-HSZRJFAPSA-N 1 1 363.505 4.296 20 30 FIEDMO N#Cc1cc(F)c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000301073795 1124189391 /nfs/dbraw/zinc/18/93/91/1124189391.db2.gz CNCCJZBKZAWLJG-UHFFFAOYSA-N 1 1 363.358 4.191 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ncccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301253351 1124207125 /nfs/dbraw/zinc/20/71/25/1124207125.db2.gz AQLFRPLVJPXDLD-WMZOPIPTSA-N 1 1 374.410 4.467 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ncccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301253347 1124207668 /nfs/dbraw/zinc/20/76/68/1124207668.db2.gz AQLFRPLVJPXDLD-FUHWJXTLSA-N 1 1 374.410 4.467 20 30 FIEDMO Cc1nc(C[NH+]2CCC(CNc3cc(Cl)ccc3C#N)CC2)oc1C ZINC000301291369 1124212365 /nfs/dbraw/zinc/21/23/65/1124212365.db2.gz UPWLBANYZNMONR-UHFFFAOYSA-N 1 1 358.873 4.141 20 30 FIEDMO N#Cc1ccc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cn1 ZINC000301530883 1124240245 /nfs/dbraw/zinc/24/02/45/1124240245.db2.gz RWKUBAAJFXTCKE-FQEVSTJZSA-N 1 1 360.486 4.226 20 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365.502 4.274 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(Cl)c(C#N)n2)C1 ZINC000111218867 1124877517 /nfs/dbraw/zinc/87/75/17/1124877517.db2.gz MQMMLBYBZAKYAO-OAHLLOKOSA-N 1 1 354.885 4.451 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252734238 1124885201 /nfs/dbraw/zinc/88/52/01/1124885201.db2.gz HVTQBBIITKBONP-CVEARBPZSA-N 1 1 353.274 4.017 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252734238 1124885212 /nfs/dbraw/zinc/88/52/12/1124885212.db2.gz HVTQBBIITKBONP-CVEARBPZSA-N 1 1 353.274 4.017 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)cc1Cl ZINC000008064685 1124953657 /nfs/dbraw/zinc/95/36/57/1124953657.db2.gz QHWUUBHAGNQECK-UHFFFAOYSA-N 1 1 368.289 4.387 20 30 FIEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000113171109 1125104216 /nfs/dbraw/zinc/10/42/16/1125104216.db2.gz GBRFYAGGHFUYKP-CQSZACIVSA-N 1 1 371.868 4.242 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000113171109 1125104223 /nfs/dbraw/zinc/10/42/23/1125104223.db2.gz GBRFYAGGHFUYKP-CQSZACIVSA-N 1 1 371.868 4.242 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC/C=C\c3ccccc3)CC2)cc1 ZINC000255047515 1125138399 /nfs/dbraw/zinc/13/83/99/1125138399.db2.gz YIJHBHCKHCZRFV-WTKPLQERSA-N 1 1 373.500 4.086 20 30 FIEDMO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2ccccc2n1 ZINC000672580031 1125183023 /nfs/dbraw/zinc/18/30/23/1125183023.db2.gz VRNVZQXWKHYNJT-HXUWFJFHSA-N 1 1 355.441 4.321 20 30 FIEDMO Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000618593462 1125212033 /nfs/dbraw/zinc/21/20/33/1125212033.db2.gz DQAYVBABRITJGO-ZIAGYGMSSA-N 1 1 350.306 4.429 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499617935 1125308008 /nfs/dbraw/zinc/30/80/08/1125308008.db2.gz GRQZBIDFMXKYKU-KSZLIROESA-N 1 1 366.427 4.060 20 30 FIEDMO CC(C)(C)c1ccc(C#N)c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000618980864 1125402891 /nfs/dbraw/zinc/40/28/91/1125402891.db2.gz JFEINDUKSAKZFN-UHFFFAOYSA-N 1 1 363.509 4.168 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602734121 568025780 /nfs/dbraw/zinc/02/57/80/568025780.db2.gz ZWYQPQGLQDGRPZ-RBBKRZOGSA-N 1 1 350.462 4.067 20 30 FIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517631 568045801 /nfs/dbraw/zinc/04/58/01/568045801.db2.gz TXVOACXCLICRMC-KUHUBIRLSA-N 1 1 351.406 4.058 20 30 FIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000603831045 568146251 /nfs/dbraw/zinc/14/62/51/568146251.db2.gz HREVHKRSRMHHMQ-UHFFFAOYSA-N 1 1 356.514 4.072 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000603855264 568167812 /nfs/dbraw/zinc/16/78/12/568167812.db2.gz LYZSPODWXZNNIS-FQEVSTJZSA-N 1 1 367.880 4.424 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000603855264 568167813 /nfs/dbraw/zinc/16/78/13/568167813.db2.gz LYZSPODWXZNNIS-FQEVSTJZSA-N 1 1 367.880 4.424 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000603893328 568177658 /nfs/dbraw/zinc/17/76/58/568177658.db2.gz FUTNVXQJNHPNOV-UHFFFAOYSA-N 1 1 361.367 4.038 20 30 FIEDMO Cc1cc(C)c(C#N)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000481990085 568215900 /nfs/dbraw/zinc/21/59/00/568215900.db2.gz IBHGLCUEJNUNDQ-RBBKRZOGSA-N 1 1 360.505 4.061 20 30 FIEDMO COc1cccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)CC(C)C)c1 ZINC000604494595 568304207 /nfs/dbraw/zinc/30/42/07/568304207.db2.gz CBHUPVWVVARMQZ-UHFFFAOYSA-N 1 1 371.506 4.115 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000570525443 568484268 /nfs/dbraw/zinc/48/42/68/568484268.db2.gz NLNUQRSOEAEZBI-GOSISDBHSA-N 1 1 359.477 4.263 20 30 FIEDMO Cc1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164621470 719057374 /nfs/dbraw/zinc/05/73/74/719057374.db2.gz JKIBKQHLIAYBJJ-HKUYNNGSSA-N 1 1 366.896 4.016 20 30 FIEDMO N#CC1(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)CCC1 ZINC001164618556 719078135 /nfs/dbraw/zinc/07/81/35/719078135.db2.gz BBLZUTLFQVNXAC-IFMALSPDSA-N 1 1 372.516 4.128 20 30 FIEDMO C=CC[NH+]1CCN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001165031303 721867881 /nfs/dbraw/zinc/86/78/81/721867881.db2.gz CICNPNZIMCUYDH-UHFFFAOYSA-N 1 1 360.486 4.143 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000619755821 1125682305 /nfs/dbraw/zinc/68/23/05/1125682305.db2.gz UYWDTEIDJUTTTF-MZADTFQBSA-N 1 1 365.908 4.497 20 30 FIEDMO CC(C)[N@H+]1CC[C@@H](CNc2c(Br)cc(Cl)cc2C#N)C1 ZINC000557545889 1079527221 /nfs/dbraw/zinc/52/72/21/1079527221.db2.gz LCRWINYIQHECIA-NSHDSACASA-N 1 1 356.695 4.116 20 30 FIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000535792207 1079575843 /nfs/dbraw/zinc/57/58/43/1079575843.db2.gz OTRSSVZWTSEZJS-OLZOCXBDSA-N 1 1 357.454 4.095 20 30 FIEDMO COc1ccc(OC2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC001167054361 1079708260 /nfs/dbraw/zinc/70/82/60/1079708260.db2.gz LAPFAVAUHIFBIS-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO N#CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000153407189 1125789425 /nfs/dbraw/zinc/78/94/25/1125789425.db2.gz GWGAJUXMFLXNBW-YADHBBJMSA-N 1 1 361.489 4.060 20 30 FIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000510104004 1080023865 /nfs/dbraw/zinc/02/38/65/1080023865.db2.gz WJJKJLXTJREVIX-OAQYLSRUSA-N 1 1 367.518 4.392 20 30 FIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000510104003 1080024000 /nfs/dbraw/zinc/02/40/00/1080024000.db2.gz WJJKJLXTJREVIX-NRFANRHFSA-N 1 1 367.518 4.392 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000118793951 1080179972 /nfs/dbraw/zinc/17/99/72/1080179972.db2.gz XSSGKCSBPBGZOB-CVEARBPZSA-N 1 1 374.916 4.330 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300288 1080242141 /nfs/dbraw/zinc/24/21/41/1080242141.db2.gz XLBPZBVTCTURBE-UHFFFAOYSA-N 1 1 353.853 4.228 20 30 FIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000032888314 1080402809 /nfs/dbraw/zinc/40/28/09/1080402809.db2.gz NWLSPLREFAGOHY-HXUWFJFHSA-N 1 1 361.445 4.165 20 30 FIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000032888314 1080402813 /nfs/dbraw/zinc/40/28/13/1080402813.db2.gz NWLSPLREFAGOHY-HXUWFJFHSA-N 1 1 361.445 4.165 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246211314 1080417737 /nfs/dbraw/zinc/41/77/37/1080417737.db2.gz XSSGKCSBPBGZOB-JKSUJKDBSA-N 1 1 374.916 4.330 20 30 FIEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016334052 1080484407 /nfs/dbraw/zinc/48/44/07/1080484407.db2.gz IWOJNACWCCEVHN-OAHLLOKOSA-N 1 1 359.539 4.482 20 30 FIEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001209444134 1080703009 /nfs/dbraw/zinc/70/30/09/1080703009.db2.gz MPQUOJQZCWFKFM-OYRHEFFESA-N 1 1 355.526 4.002 20 30 FIEDMO FC(F)(F)c1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000255056027 1080724568 /nfs/dbraw/zinc/72/45/68/1080724568.db2.gz RHHXLUJGKNOEOJ-UHFFFAOYSA-N 1 1 364.367 4.093 20 30 FIEDMO C=C(C)c1cccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000890891176 1081045075 /nfs/dbraw/zinc/04/50/75/1081045075.db2.gz OSWMXNVZBSFJQJ-UHFFFAOYSA-N 1 1 355.507 4.335 20 30 FIEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CCC2)ccc1Cl ZINC001167306025 1081241259 /nfs/dbraw/zinc/24/12/59/1081241259.db2.gz BSRGJLBRHFTLSD-IBGZPJMESA-N 1 1 359.901 4.160 20 30 FIEDMO C[C@@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cccc(C#N)c1 ZINC000610346022 1081501164 /nfs/dbraw/zinc/50/11/64/1081501164.db2.gz HPTQUOHQHYVENX-JPYJTQIMSA-N 1 1 369.468 4.267 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471529909 1081555607 /nfs/dbraw/zinc/55/56/07/1081555607.db2.gz JKYXSAOWABQNQD-JOCHJYFZSA-N 1 1 363.505 4.049 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000610390856 1081717695 /nfs/dbraw/zinc/71/76/95/1081717695.db2.gz HYLUIJKGSPFFRU-FQEVSTJZSA-N 1 1 363.461 4.123 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610395048 1081733886 /nfs/dbraw/zinc/73/38/86/1081733886.db2.gz RTPFQMKOEXSBIE-KLAILNCOSA-N 1 1 357.523 4.426 20 30 FIEDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177740006 1081784995 /nfs/dbraw/zinc/78/49/95/1081784995.db2.gz OYCDLKLVDHISOU-ROUUACIJSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177740006 1081784999 /nfs/dbraw/zinc/78/49/99/1081784999.db2.gz OYCDLKLVDHISOU-ROUUACIJSA-N 1 1 368.481 4.024 20 30 FIEDMO C=CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCCCC1 ZINC001167387184 1081910504 /nfs/dbraw/zinc/91/05/04/1081910504.db2.gz PNDHWRPJHANXRH-FQEVSTJZSA-N 1 1 355.526 4.082 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000580384290 1081914632 /nfs/dbraw/zinc/91/46/32/1081914632.db2.gz ORXRQILUTIQIQF-UHFFFAOYSA-N 1 1 364.367 4.241 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000580384290 1081914634 /nfs/dbraw/zinc/91/46/34/1081914634.db2.gz ORXRQILUTIQIQF-UHFFFAOYSA-N 1 1 364.367 4.241 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579608431 1081919546 /nfs/dbraw/zinc/91/95/46/1081919546.db2.gz TVJGOHXIDGVMHD-AUUYWEPGSA-N 1 1 355.869 4.034 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579608434 1081919934 /nfs/dbraw/zinc/91/99/34/1081919934.db2.gz TVJGOHXIDGVMHD-LIRRHRJNSA-N 1 1 355.869 4.034 20 30 FIEDMO CC[N@@H+](CCC1CCN(c2ccc3cc(C#N)ccc3n2)CC1)CC1CC1 ZINC000536766514 1081930442 /nfs/dbraw/zinc/93/04/42/1081930442.db2.gz HFNSMPFJAYSWFL-UHFFFAOYSA-N 1 1 362.521 4.445 20 30 FIEDMO COCC[N@@H+](C)CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537406343 1082063614 /nfs/dbraw/zinc/06/36/14/1082063614.db2.gz GODDHUKZSKWNDT-VGOFRKELSA-N 1 1 369.484 4.058 20 30 FIEDMO COc1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1OCCCC#N ZINC000580742862 1082115153 /nfs/dbraw/zinc/11/51/53/1082115153.db2.gz GKKSTADCVDSUBX-JOCHJYFZSA-N 1 1 372.509 4.159 20 30 FIEDMO COc1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1OCCCC#N ZINC000580742862 1082115156 /nfs/dbraw/zinc/11/51/56/1082115156.db2.gz GKKSTADCVDSUBX-JOCHJYFZSA-N 1 1 372.509 4.159 20 30 FIEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(F)cccc1Cl)C2 ZINC001203400260 1082135105 /nfs/dbraw/zinc/13/51/05/1082135105.db2.gz VWWJHICIAWEPKX-OALUTQOASA-N 1 1 353.865 4.053 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1C ZINC001167434831 1082141396 /nfs/dbraw/zinc/14/13/96/1082141396.db2.gz ZMPFWRKQFFEJJX-SBHAEUEKSA-N 1 1 353.510 4.203 20 30 FIEDMO C=CC[N@H+](Cc1ccc(SC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000580805859 1082147891 /nfs/dbraw/zinc/14/78/91/1082147891.db2.gz KKTZYRUJPORQLK-AWEZNQCLSA-N 1 1 371.535 4.195 20 30 FIEDMO CC(C)C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1 ZINC001167437492 1082205281 /nfs/dbraw/zinc/20/52/81/1082205281.db2.gz HEAKYLNEMDDSIH-JOCHJYFZSA-N 1 1 370.468 4.158 20 30 FIEDMO CCC[C@]1(CO)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000581154848 1082349412 /nfs/dbraw/zinc/34/94/12/1082349412.db2.gz PKOCGZXPFZUSKG-QHCPKHFHSA-N 1 1 362.517 4.371 20 30 FIEDMO C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000581203386 1082367302 /nfs/dbraw/zinc/36/73/02/1082367302.db2.gz QXLPNXDFNOOBOV-MRXNPFEDSA-N 1 1 371.554 4.066 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000156930669 1082390129 /nfs/dbraw/zinc/39/01/29/1082390129.db2.gz CIQQVVITZVHPMA-UTKZUKDTSA-N 1 1 351.469 4.182 20 30 FIEDMO C=C(C)[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000548185975 1082629968 /nfs/dbraw/zinc/62/99/68/1082629968.db2.gz JFXSGURRAUYRLR-GOSISDBHSA-N 1 1 365.468 4.098 20 30 FIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC001167474574 1082723234 /nfs/dbraw/zinc/72/32/34/1082723234.db2.gz SBPAOQHGRIZUNQ-LJQANCHMSA-N 1 1 351.450 4.406 20 30 FIEDMO C[NH+](C)[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000581674949 1082789885 /nfs/dbraw/zinc/78/98/85/1082789885.db2.gz DNICGXXGCHWOFL-MOPGFXCFSA-N 1 1 355.869 4.104 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430662883 1082922960 /nfs/dbraw/zinc/92/29/60/1082922960.db2.gz KWUSKBYRYMYFNE-ICSRJNTNSA-N 1 1 364.489 4.034 20 30 FIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000187448947 1082976346 /nfs/dbraw/zinc/97/63/46/1082976346.db2.gz CARFHEQQXKSMFV-FQEVSTJZSA-N 1 1 354.837 4.224 20 30 FIEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000134671449 1082983369 /nfs/dbraw/zinc/98/33/69/1082983369.db2.gz RIQBJHNVEPVKLA-CRAIPNDOSA-N 1 1 362.901 4.069 20 30 FIEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000134671449 1082983371 /nfs/dbraw/zinc/98/33/71/1082983371.db2.gz RIQBJHNVEPVKLA-CRAIPNDOSA-N 1 1 362.901 4.069 20 30 FIEDMO N#CCC1(C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000430749141 1083147298 /nfs/dbraw/zinc/14/72/98/1083147298.db2.gz UCZXHJDXVYPJNV-HXUWFJFHSA-N 1 1 368.864 4.484 20 30 FIEDMO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000092361822 1083388255 /nfs/dbraw/zinc/38/82/55/1083388255.db2.gz NTSPTYRMCRCKDG-UHFFFAOYSA-N 1 1 368.308 4.081 20 30 FIEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247535662 1083456400 /nfs/dbraw/zinc/45/64/00/1083456400.db2.gz OQCJGGRKKLIZIA-ZWKOTPCHSA-N 1 1 368.481 4.024 20 30 FIEDMO COc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1OCCCC#N ZINC000093666162 1083487770 /nfs/dbraw/zinc/48/77/70/1083487770.db2.gz XYDFDXOHJQALCB-HXUWFJFHSA-N 1 1 372.509 4.301 20 30 FIEDMO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000612406586 1083774419 /nfs/dbraw/zinc/77/44/19/1083774419.db2.gz PYLRSKKKKQFNAM-JOCHJYFZSA-N 1 1 350.462 4.496 20 30 FIEDMO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccccc2)cc1OC ZINC000612406586 1083774434 /nfs/dbraw/zinc/77/44/34/1083774434.db2.gz PYLRSKKKKQFNAM-JOCHJYFZSA-N 1 1 350.462 4.496 20 30 FIEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000535848753 1083791120 /nfs/dbraw/zinc/79/11/20/1083791120.db2.gz 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ZINC000514119973 1088787469 /nfs/dbraw/zinc/78/74/69/1088787469.db2.gz CHMGBCODSFYXPH-OAQYLSRUSA-N 1 1 373.500 4.090 20 30 FIEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 ZINC000027776991 1088834231 /nfs/dbraw/zinc/83/42/31/1088834231.db2.gz NMRNPZCYVDFYTD-QHCPKHFHSA-N 1 1 366.505 4.197 20 30 FIEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 ZINC000027776991 1088834258 /nfs/dbraw/zinc/83/42/58/1088834258.db2.gz NMRNPZCYVDFYTD-QHCPKHFHSA-N 1 1 366.505 4.197 20 30 FIEDMO Cc1ccc([C@]2(C)CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000434741824 1089010509 /nfs/dbraw/zinc/01/05/09/1089010509.db2.gz JIGFYYKVHBQVEP-JOCHJYFZSA-N 1 1 358.445 4.080 20 30 FIEDMO CC1=C(c2ccco2)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000549159975 1089072377 /nfs/dbraw/zinc/07/23/77/1089072377.db2.gz YUUKFEUDWHSPQS-SFHVURJKSA-N 1 1 363.461 4.094 20 30 FIEDMO CC1=C(c2ccco2)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000549159975 1089072391 /nfs/dbraw/zinc/07/23/91/1089072391.db2.gz YUUKFEUDWHSPQS-SFHVURJKSA-N 1 1 363.461 4.094 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000425229749 1089097967 /nfs/dbraw/zinc/09/79/67/1089097967.db2.gz LNQDUBUFTKAYTG-KDOFPFPSSA-N 1 1 356.451 4.023 20 30 FIEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435130009 1089310995 /nfs/dbraw/zinc/31/09/95/1089310995.db2.gz PGRREMQDFDKCHM-SFHVURJKSA-N 1 1 351.498 4.117 20 30 FIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435127860 1089311354 /nfs/dbraw/zinc/31/13/54/1089311354.db2.gz APKMELXKNOKUBU-LJQANCHMSA-N 1 1 351.498 4.259 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000549243111 1089356649 /nfs/dbraw/zinc/35/66/49/1089356649.db2.gz UMDKOXMHQRRCOU-UHFFFAOYSA-N 1 1 374.271 4.252 20 30 FIEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000549243111 1089356670 /nfs/dbraw/zinc/35/66/70/1089356670.db2.gz UMDKOXMHQRRCOU-UHFFFAOYSA-N 1 1 374.271 4.252 20 30 FIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C)cc1 ZINC000514711006 1089401478 /nfs/dbraw/zinc/40/14/78/1089401478.db2.gz FXYAEELVGXDMRA-OAHLLOKOSA-N 1 1 351.899 4.138 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C)cc1 ZINC000514711006 1089401487 /nfs/dbraw/zinc/40/14/87/1089401487.db2.gz FXYAEELVGXDMRA-OAHLLOKOSA-N 1 1 351.899 4.138 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000514715222 1089407810 /nfs/dbraw/zinc/40/78/10/1089407810.db2.gz WBBWBPVJZINLQT-LJQANCHMSA-N 1 1 353.487 4.329 20 30 FIEDMO CCOc1c(OC)cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425364938 1089590922 /nfs/dbraw/zinc/59/09/22/1089590922.db2.gz HXROWAQSMDWSPP-OAHLLOKOSA-N 1 1 354.450 4.167 20 30 FIEDMO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000505701717 1089715976 /nfs/dbraw/zinc/71/59/76/1089715976.db2.gz YYOWRUSSFWMVFZ-UHFFFAOYSA-N 1 1 354.450 4.018 20 30 FIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328674136 1089789319 /nfs/dbraw/zinc/78/93/19/1089789319.db2.gz JPCKVFCYMMJZPI-JKSUJKDBSA-N 1 1 374.481 4.063 20 30 FIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCOC[C@@H](C)C1 ZINC000328674136 1089789336 /nfs/dbraw/zinc/78/93/36/1089789336.db2.gz JPCKVFCYMMJZPI-JKSUJKDBSA-N 1 1 374.481 4.063 20 30 FIEDMO N#CCCCOc1cccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435748649 1089912137 /nfs/dbraw/zinc/91/21/37/1089912137.db2.gz PAJKMZITMJGENW-NRFANRHFSA-N 1 1 355.526 4.256 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c1 ZINC000435748649 1089912142 /nfs/dbraw/zinc/91/21/42/1089912142.db2.gz PAJKMZITMJGENW-NRFANRHFSA-N 1 1 355.526 4.256 20 30 FIEDMO C=CCC[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000435758444 1089932369 /nfs/dbraw/zinc/93/23/69/1089932369.db2.gz DQLRJUVDKPLLPZ-PZJWPPBQSA-N 1 1 355.526 4.067 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000435758442 1089932747 /nfs/dbraw/zinc/93/27/47/1089932747.db2.gz DQLRJUVDKPLLPZ-FPOVZHCZSA-N 1 1 355.526 4.067 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000128431056 1090131992 /nfs/dbraw/zinc/13/19/92/1090131992.db2.gz IIYQRZZUHKZXQR-LJQANCHMSA-N 1 1 365.502 4.490 20 30 FIEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431858189 1090148215 /nfs/dbraw/zinc/14/82/15/1090148215.db2.gz NJYXIUJQHZDSCD-QUCCMNQESA-N 1 1 370.541 4.231 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000473016873 1090603624 /nfs/dbraw/zinc/60/36/24/1090603624.db2.gz XTTFMINKFRERBD-SFHVURJKSA-N 1 1 371.550 4.356 20 30 FIEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431919238 1090646879 /nfs/dbraw/zinc/64/68/79/1090646879.db2.gz PFWJAILBSIOMOR-SFTDATJTSA-N 1 1 370.541 4.375 20 30 FIEDMO C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409437 1090705018 /nfs/dbraw/zinc/70/50/18/1090705018.db2.gz FRGLGAABSBWAMF-CVDCTZTESA-N 1 1 363.505 4.152 20 30 FIEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H]1CCCCO1 ZINC000511633128 1090912165 /nfs/dbraw/zinc/91/21/65/1090912165.db2.gz ZXPHCYRRJWKMRL-JOCHJYFZSA-N 1 1 350.462 4.138 20 30 FIEDMO COC1(C(F)(F)F)CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000418104703 1091065583 /nfs/dbraw/zinc/06/55/83/1091065583.db2.gz YJSCGVCYUWWFBH-UHFFFAOYSA-N 1 1 366.305 4.120 20 30 FIEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000418144375 1091078156 /nfs/dbraw/zinc/07/81/56/1091078156.db2.gz SZNCDTNOOAPEHC-FQEVSTJZSA-N 1 1 365.477 4.116 20 30 FIEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)cc(OC)c1OCc1ccccc1 ZINC000418140020 1091079443 /nfs/dbraw/zinc/07/94/43/1091079443.db2.gz ILPAGRYHAJASCH-UHFFFAOYSA-N 1 1 366.461 4.066 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(Cl)cc(C(F)(F)F)c1C#N ZINC001167749051 1091099903 /nfs/dbraw/zinc/09/99/03/1091099903.db2.gz WSIUQPZXPQVLHQ-LLVKDONJSA-N 1 1 360.811 4.302 20 30 FIEDMO C=C(C)Cn1c(-c2ccncc2)nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1=S ZINC000162613888 1091137394 /nfs/dbraw/zinc/13/73/94/1091137394.db2.gz ZQAQUQVZOFXDAK-ROUUACIJSA-N 1 1 369.538 4.132 20 30 FIEDMO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000436368818 1091189902 /nfs/dbraw/zinc/18/99/02/1091189902.db2.gz NLXVYYLOHZJICH-MRXNPFEDSA-N 1 1 360.889 4.130 20 30 FIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000123624698 1091194734 /nfs/dbraw/zinc/19/47/34/1091194734.db2.gz WVKRQTRAUSPRGG-SPEDKVCISA-N 1 1 370.541 4.229 20 30 FIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000123624698 1091194743 /nfs/dbraw/zinc/19/47/43/1091194743.db2.gz WVKRQTRAUSPRGG-SPEDKVCISA-N 1 1 370.541 4.229 20 30 FIEDMO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000429799696 1091285911 /nfs/dbraw/zinc/28/59/11/1091285911.db2.gz PJPMPUKQIYWIHA-HXUWFJFHSA-N 1 1 363.461 4.049 20 30 FIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000566740788 1091382877 /nfs/dbraw/zinc/38/28/77/1091382877.db2.gz NPJMFJJNVMKFBL-HNNXBMFYSA-N 1 1 361.348 4.309 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029853 1091554926 /nfs/dbraw/zinc/55/49/26/1091554926.db2.gz DRJAFYXXICGQQY-FQEVSTJZSA-N 1 1 369.415 4.392 20 30 FIEDMO C=CCc1cc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc(OC)c1O ZINC000511831348 1091766013 /nfs/dbraw/zinc/76/60/13/1091766013.db2.gz XLITXZLPWHHCMA-KKSFZXQISA-N 1 1 353.462 4.091 20 30 FIEDMO C=CCc1cc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc(OC)c1O ZINC000511831348 1091766015 /nfs/dbraw/zinc/76/60/15/1091766015.db2.gz XLITXZLPWHHCMA-KKSFZXQISA-N 1 1 353.462 4.091 20 30 FIEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279342062 1091880831 /nfs/dbraw/zinc/88/08/31/1091880831.db2.gz FEOFKALNAIALRT-UHFFFAOYSA-N 1 1 365.506 4.331 20 30 FIEDMO C[C@@H](C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000279351586 1091883059 /nfs/dbraw/zinc/88/30/59/1091883059.db2.gz GDFHXHBFKSQCNW-SFHVURJKSA-N 1 1 359.477 4.094 20 30 FIEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc21 ZINC000428167633 1092219917 /nfs/dbraw/zinc/21/99/17/1092219917.db2.gz XBQMBFSFTWUBET-PXNSSMCTSA-N 1 1 364.537 4.020 20 30 FIEDMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CCC3)cc1 ZINC000520798675 1092240516 /nfs/dbraw/zinc/24/05/16/1092240516.db2.gz ZOXNCNFSDXSFLS-PBHICJAKSA-N 1 1 366.490 4.229 20 30 FIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000432762572 1092295969 /nfs/dbraw/zinc/29/59/69/1092295969.db2.gz HYDDAJDYLJUVMN-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cc1 ZINC000432762572 1092295985 /nfs/dbraw/zinc/29/59/85/1092295985.db2.gz HYDDAJDYLJUVMN-IBGZPJMESA-N 1 1 365.502 4.386 20 30 FIEDMO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccc(F)c1 ZINC000015368396 1092436493 /nfs/dbraw/zinc/43/64/93/1092436493.db2.gz VKGHVZGNUKCFPF-UHFFFAOYSA-N 1 1 367.468 4.211 20 30 FIEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccc(F)c1 ZINC000015368396 1092436500 /nfs/dbraw/zinc/43/65/00/1092436500.db2.gz VKGHVZGNUKCFPF-UHFFFAOYSA-N 1 1 367.468 4.211 20 30 FIEDMO C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1OC ZINC000500781210 1092564885 /nfs/dbraw/zinc/56/48/85/1092564885.db2.gz QHUDCKGBXHLRMP-UHFFFAOYSA-N 1 1 374.868 4.227 20 30 FIEDMO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521228922 1092578994 /nfs/dbraw/zinc/57/89/94/1092578994.db2.gz HOOOEKNIIQETSV-OAQYLSRUSA-N 1 1 366.480 4.253 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000549746691 1092740322 /nfs/dbraw/zinc/74/03/22/1092740322.db2.gz JYAQNWFGMMNLJF-GXTWGEPZSA-N 1 1 354.281 4.336 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000549746694 1092741102 /nfs/dbraw/zinc/74/11/02/1092741102.db2.gz JYAQNWFGMMNLJF-TZMCWYRMSA-N 1 1 354.281 4.336 20 30 FIEDMO N#CCCC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000521621420 1092790251 /nfs/dbraw/zinc/79/02/51/1092790251.db2.gz XRZUADJARHWCTG-JOCHJYFZSA-N 1 1 359.322 4.117 20 30 FIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000521814293 1092928765 /nfs/dbraw/zinc/92/87/65/1092928765.db2.gz SPUMNNFMQYOPQC-CQSZACIVSA-N 1 1 367.415 4.041 20 30 FIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000521814293 1092928767 /nfs/dbraw/zinc/92/87/67/1092928767.db2.gz SPUMNNFMQYOPQC-CQSZACIVSA-N 1 1 367.415 4.041 20 30 FIEDMO N#Cc1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C(F)(F)F)c1 ZINC000432939630 1092975670 /nfs/dbraw/zinc/97/56/70/1092975670.db2.gz RFYICQXNGLMUAV-UHFFFAOYSA-N 1 1 374.410 4.494 20 30 FIEDMO C=CCc1cc(C[N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc(OC)c1O ZINC000563481233 1092995265 /nfs/dbraw/zinc/99/52/65/1092995265.db2.gz BYLOLBMBTJZHEU-UHFFFAOYSA-N 1 1 369.509 4.485 20 30 FIEDMO C=CCc1cc(C[N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc(OC)c1O ZINC000563481233 1092995270 /nfs/dbraw/zinc/99/52/70/1092995270.db2.gz BYLOLBMBTJZHEU-UHFFFAOYSA-N 1 1 369.509 4.485 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000614159940 1093013629 /nfs/dbraw/zinc/01/36/29/1093013629.db2.gz ZDDPVRRLSFDKSL-UHFFFAOYSA-N 1 1 367.537 4.102 20 30 FIEDMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F)O[C@H](C)C2 ZINC000512628614 1093030829 /nfs/dbraw/zinc/03/08/29/1093030829.db2.gz FPGGLFLFYZJMCH-ZIAGYGMSSA-N 1 1 354.425 4.270 20 30 FIEDMO Cc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000512655220 1093083230 /nfs/dbraw/zinc/08/32/30/1093083230.db2.gz SGQOBTYHZZERBG-VGOFRKELSA-N 1 1 351.469 4.494 20 30 FIEDMO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(C#N)cc3F)cc2)CC1 ZINC000512654760 1093084651 /nfs/dbraw/zinc/08/46/51/1093084651.db2.gz ONBAXEGPEHOLQU-QGZVFWFLSA-N 1 1 366.484 4.008 20 30 FIEDMO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512667849 1093111667 /nfs/dbraw/zinc/11/16/67/1093111667.db2.gz RHGGCLGEIHSHJN-KRWDZBQOSA-N 1 1 369.484 4.269 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000512674565 1093122544 /nfs/dbraw/zinc/12/25/44/1093122544.db2.gz XRMHBDOBQXEPAC-CABCVRRESA-N 1 1 351.425 4.236 20 30 FIEDMO C[C@@H]1CC([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168017486 1093151075 /nfs/dbraw/zinc/15/10/75/1093151075.db2.gz ARPHGACTKRXDHC-IAGOWNOFSA-N 1 1 351.469 4.229 20 30 FIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000113570226 1093412820 /nfs/dbraw/zinc/41/28/20/1093412820.db2.gz PMYZGVILXUIRTR-IRXDYDNUSA-N 1 1 374.554 4.324 20 30 FIEDMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1C#N ZINC000015504512 1093422050 /nfs/dbraw/zinc/42/20/50/1093422050.db2.gz BSQWOUWXVOTHHD-QGZVFWFLSA-N 1 1 362.477 4.234 20 30 FIEDMO Cc1cc(C)c(C#N)c(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000474170811 1093542925 /nfs/dbraw/zinc/54/29/25/1093542925.db2.gz QUDLKNVXJXOEQG-HSZRJFAPSA-N 1 1 360.505 4.063 20 30 FIEDMO N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433310206 1093576526 /nfs/dbraw/zinc/57/65/26/1093576526.db2.gz GXYHREPZCNMJQF-HXUWFJFHSA-N 1 1 355.482 4.105 20 30 FIEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000433328214 1093588687 /nfs/dbraw/zinc/58/86/87/1093588687.db2.gz VKWAGROEQKGYFJ-UHFFFAOYSA-N 1 1 363.461 4.127 20 30 FIEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000433328214 1093588693 /nfs/dbraw/zinc/58/86/93/1093588693.db2.gz VKWAGROEQKGYFJ-UHFFFAOYSA-N 1 1 363.461 4.127 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000120533168 1093729474 /nfs/dbraw/zinc/72/94/74/1093729474.db2.gz ZBZXKOQFRPSSJM-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000120533168 1093729485 /nfs/dbraw/zinc/72/94/85/1093729485.db2.gz ZBZXKOQFRPSSJM-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000237054029 1093768469 /nfs/dbraw/zinc/76/84/69/1093768469.db2.gz RMSLQXSDVFBCAD-IBGZPJMESA-N 1 1 356.558 4.027 20 30 FIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000237054029 1093768474 /nfs/dbraw/zinc/76/84/74/1093768474.db2.gz RMSLQXSDVFBCAD-IBGZPJMESA-N 1 1 356.558 4.027 20 30 FIEDMO CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000513147285 1093902940 /nfs/dbraw/zinc/90/29/40/1093902940.db2.gz HOLGTWBHQSKZOM-UYAOXDASSA-N 1 1 370.541 4.183 20 30 FIEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280217736 1094308280 /nfs/dbraw/zinc/30/82/80/1094308280.db2.gz GCYUWWYPVMNWHL-CQSZACIVSA-N 1 1 357.454 4.073 20 30 FIEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000280217736 1094308295 /nfs/dbraw/zinc/30/82/95/1094308295.db2.gz GCYUWWYPVMNWHL-CQSZACIVSA-N 1 1 357.454 4.073 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280299948 1094323227 /nfs/dbraw/zinc/32/32/27/1094323227.db2.gz XTDYTDINTNPBBP-RBUKOAKNSA-N 1 1 367.537 4.214 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501499232 1094741279 /nfs/dbraw/zinc/74/12/79/1094741279.db2.gz DZEIDRLKYNQMBY-LSDHHAIUSA-N 1 1 369.962 4.362 20 30 FIEDMO Cc1sc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)nc1-c1c[nH]c2ncccc12 ZINC000329196244 1094775514 /nfs/dbraw/zinc/77/55/14/1094775514.db2.gz SWOPAGBVBXMBBX-RYUDHWBXSA-N 1 1 369.494 4.456 20 30 FIEDMO CN(C)c1cccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000329318628 1094839515 /nfs/dbraw/zinc/83/95/15/1094839515.db2.gz SWJXZJRFMXKEJX-INIZCTEOSA-N 1 1 367.497 4.242 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329370606 1094869221 /nfs/dbraw/zinc/86/92/21/1094869221.db2.gz LWHVUWYZOFGBIK-IEBWSBKVSA-N 1 1 372.557 4.324 20 30 FIEDMO Cc1ncsc1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447506 1094911196 /nfs/dbraw/zinc/91/11/96/1094911196.db2.gz MFCICMIYVYPNII-OAHLLOKOSA-N 1 1 358.511 4.415 20 30 FIEDMO CCC(C)(C)OCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329462159 1094920570 /nfs/dbraw/zinc/92/05/70/1094920570.db2.gz STYFRICZZUFAKN-RTBURBONSA-N 1 1 359.514 4.154 20 30 FIEDMO CCOC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000474921768 1094923478 /nfs/dbraw/zinc/92/34/78/1094923478.db2.gz FDRISIKHAQMZLB-UHFFFAOYSA-N 1 1 360.413 4.285 20 30 FIEDMO O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329477991 1094926008 /nfs/dbraw/zinc/92/60/08/1094926008.db2.gz PYQLMTJTJLXDJT-KBAYOESNSA-N 1 1 359.514 4.001 20 30 FIEDMO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[nH]n1 ZINC000329480908 1094930482 /nfs/dbraw/zinc/93/04/82/1094930482.db2.gz RACHTCCIHWDYPG-YOEHRIQHSA-N 1 1 369.513 4.112 20 30 FIEDMO C[C@]1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCC[C@@H]1O ZINC000329489283 1094932041 /nfs/dbraw/zinc/93/20/41/1094932041.db2.gz UTNYSDSQTBPNBZ-ZWCUEREDSA-N 1 1 373.541 4.391 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2c(C)cccc2C)C1 ZINC000329494827 1094937313 /nfs/dbraw/zinc/93/73/13/1094937313.db2.gz FMUJKCLILYTIRH-ZWKOTPCHSA-N 1 1 354.498 4.374 20 30 FIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000329503872 1094942487 /nfs/dbraw/zinc/94/24/87/1094942487.db2.gz KZQJWLAOTDJSJZ-AQNXPRMDSA-N 1 1 374.573 4.144 20 30 FIEDMO Cc1ccsc1CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000329635579 1095034549 /nfs/dbraw/zinc/03/45/49/1095034549.db2.gz UOCKAYWIQFRXCO-SPUZQDLCSA-N 1 1 364.555 4.165 20 30 FIEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(C4CC4)CCOCC3)c2)C[C@@H](C)O1 ZINC000329646209 1095051475 /nfs/dbraw/zinc/05/14/75/1095051475.db2.gz ZRPYDDJVHMFPNM-IAGOWNOFSA-N 1 1 372.509 4.091 20 30 FIEDMO CCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC(C)(C)O ZINC000513729682 1095076311 /nfs/dbraw/zinc/07/63/11/1095076311.db2.gz QHLPDYBHJUHFDN-UHFFFAOYSA-N 1 1 352.478 4.120 20 30 FIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000329675885 1095093182 /nfs/dbraw/zinc/09/31/82/1095093182.db2.gz VVXSKKYJUJJEPT-INIZCTEOSA-N 1 1 355.482 4.231 20 30 FIEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000329675885 1095093194 /nfs/dbraw/zinc/09/31/94/1095093194.db2.gz VVXSKKYJUJJEPT-INIZCTEOSA-N 1 1 355.482 4.231 20 30 FIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000329675886 1095093657 /nfs/dbraw/zinc/09/36/57/1095093657.db2.gz VVXSKKYJUJJEPT-MRXNPFEDSA-N 1 1 355.482 4.231 20 30 FIEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000329675886 1095093671 /nfs/dbraw/zinc/09/36/71/1095093671.db2.gz VVXSKKYJUJJEPT-MRXNPFEDSA-N 1 1 355.482 4.231 20 30 FIEDMO COc1ccc(C[N@H+](C)Cc2csc(Br)c2)cc1C#N ZINC000087833268 1095134154 /nfs/dbraw/zinc/13/41/54/1095134154.db2.gz LGGAMPHSHMJRQN-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2csc(Br)c2)cc1C#N ZINC000087833268 1095134169 /nfs/dbraw/zinc/13/41/69/1095134169.db2.gz LGGAMPHSHMJRQN-UHFFFAOYSA-N 1 1 351.269 4.023 20 30 FIEDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329795925 1095268681 /nfs/dbraw/zinc/26/86/81/1095268681.db2.gz GQRPUKTVZUFKBN-UVUJQTEASA-N 1 1 372.553 4.288 20 30 FIEDMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1 ZINC000329808000 1095273247 /nfs/dbraw/zinc/27/32/47/1095273247.db2.gz LWKMGAZGCICZKH-QLIIJSOBSA-N 1 1 362.489 4.249 20 30 FIEDMO C[C@@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Cl)ccc1Cl ZINC000329914907 1095312508 /nfs/dbraw/zinc/31/25/08/1095312508.db2.gz YCARPSAFXLJJGM-VXGBXAGGSA-N 1 1 367.280 4.017 20 30 FIEDMO CC(C)(C)c1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000513741006 1095321999 /nfs/dbraw/zinc/32/19/99/1095321999.db2.gz CQGZLNCMHMJUHS-UHFFFAOYSA-N 1 1 355.507 4.356 20 30 FIEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1cc2cccc(F)c2o1 ZINC000330004427 1095345139 /nfs/dbraw/zinc/34/51/39/1095345139.db2.gz BBESAVIWIRVXBW-SUMWQHHRSA-N 1 1 360.429 4.233 20 30 FIEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000502523436 1095536791 /nfs/dbraw/zinc/53/67/91/1095536791.db2.gz PULNHAXYKVRYJM-UHFFFAOYSA-N 1 1 365.864 4.330 20 30 FIEDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000366907501 1095569879 /nfs/dbraw/zinc/56/98/79/1095569879.db2.gz AYNYARMZMGWAQZ-MRXNPFEDSA-N 1 1 359.477 4.423 20 30 FIEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502545274 1095570878 /nfs/dbraw/zinc/57/08/78/1095570878.db2.gz UMTLONMCLRBSIG-GOSISDBHSA-N 1 1 359.473 4.291 20 30 FIEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502545274 1095570890 /nfs/dbraw/zinc/57/08/90/1095570890.db2.gz UMTLONMCLRBSIG-GOSISDBHSA-N 1 1 359.473 4.291 20 30 FIEDMO C=CCCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000546486851 1095615491 /nfs/dbraw/zinc/61/54/91/1095615491.db2.gz ZYSZBOPHCCYUET-UHFFFAOYSA-N 1 1 360.889 4.041 20 30 FIEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1C ZINC000444171464 1095799599 /nfs/dbraw/zinc/79/95/99/1095799599.db2.gz PLIGVAJSHBPMFH-OAQYLSRUSA-N 1 1 366.505 4.012 20 30 FIEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1C ZINC000444171464 1095799610 /nfs/dbraw/zinc/79/96/10/1095799610.db2.gz PLIGVAJSHBPMFH-OAQYLSRUSA-N 1 1 366.505 4.012 20 30 FIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444175836 1095813038 /nfs/dbraw/zinc/81/30/38/1095813038.db2.gz LXXYLRRGVFCLCQ-FOIQADDNSA-N 1 1 351.425 4.109 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444175840 1095814347 /nfs/dbraw/zinc/81/43/47/1095814347.db2.gz LXXYLRRGVFCLCQ-QRWLVFNGSA-N 1 1 351.425 4.109 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000502848083 1095903614 /nfs/dbraw/zinc/90/36/14/1095903614.db2.gz URDJUQKIAXGSBI-QGZVFWFLSA-N 1 1 356.514 4.264 20 30 FIEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000421869439 1095981052 /nfs/dbraw/zinc/98/10/52/1095981052.db2.gz DTATXJXFZPIOLK-NJDAHSKKSA-N 1 1 351.519 4.153 20 30 FIEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000421869439 1095981055 /nfs/dbraw/zinc/98/10/55/1095981055.db2.gz DTATXJXFZPIOLK-NJDAHSKKSA-N 1 1 351.519 4.153 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccs1 ZINC000016586765 1095989772 /nfs/dbraw/zinc/98/97/72/1095989772.db2.gz 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ZINC000488320080 1113907686 /nfs/dbraw/zinc/90/76/86/1113907686.db2.gz DCVMPVCKKSYAIQ-ZDUSSCGKSA-N 1 1 359.857 4.271 20 30 FIEDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000653769856 1113913443 /nfs/dbraw/zinc/91/34/43/1113913443.db2.gz NMDBVFARNPMDFY-MRXNPFEDSA-N 1 1 363.461 4.173 20 30 FIEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000488400876 1113922815 /nfs/dbraw/zinc/92/28/15/1113922815.db2.gz FCEJYUXZDNLSTK-GOSISDBHSA-N 1 1 361.917 4.487 20 30 FIEDMO C=CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000488608967 1113959627 /nfs/dbraw/zinc/95/96/27/1113959627.db2.gz MGGYILGXCWABGA-YLJYHZDGSA-N 1 1 368.546 4.361 20 30 FIEDMO C=CCC[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000488608967 1113959628 /nfs/dbraw/zinc/95/96/28/1113959628.db2.gz MGGYILGXCWABGA-YLJYHZDGSA-N 1 1 368.546 4.361 20 30 FIEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(Cl)cc1 ZINC000488781585 1113994939 /nfs/dbraw/zinc/99/49/39/1113994939.db2.gz 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C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000489493541 1114122473 /nfs/dbraw/zinc/12/24/73/1114122473.db2.gz HSCIVENETWSQMR-MRXNPFEDSA-N 1 1 350.422 4.241 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1ccccc1 ZINC000489783896 1114172031 /nfs/dbraw/zinc/17/20/31/1114172031.db2.gz WVARSZXBZTVTSN-YXYSEUPNSA-N 1 1 355.526 4.066 20 30 FIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccc1F ZINC000490007481 1114201442 /nfs/dbraw/zinc/20/14/42/1114201442.db2.gz BHIQRWNHIHNPQD-OAHLLOKOSA-N 1 1 355.482 4.412 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)c(C#N)c1C ZINC000490035913 1114205952 /nfs/dbraw/zinc/20/59/52/1114205952.db2.gz DLVKCRDFIMPGBY-SIXWZSSISA-N 1 1 365.477 4.282 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)c(C#N)c1C ZINC000490035913 1114205957 /nfs/dbraw/zinc/20/59/57/1114205957.db2.gz DLVKCRDFIMPGBY-SIXWZSSISA-N 1 1 365.477 4.282 20 30 FIEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1cccc(N2CCOCC2)c1 ZINC000912828335 1114220172 /nfs/dbraw/zinc/22/01/72/1114220172.db2.gz YAYRLXSUKFHFMC-UHFFFAOYSA-N 1 1 374.282 4.122 20 30 FIEDMO CC(C)c1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000029701667 1114356656 /nfs/dbraw/zinc/35/66/56/1114356656.db2.gz IMHRGAIWCUBGDZ-UHFFFAOYSA-N 1 1 353.510 4.117 20 30 FIEDMO CC(C)c1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000029701667 1114356658 /nfs/dbraw/zinc/35/66/58/1114356658.db2.gz IMHRGAIWCUBGDZ-UHFFFAOYSA-N 1 1 353.510 4.117 20 30 FIEDMO CC[N@@H+](CCc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491130327 1114376491 /nfs/dbraw/zinc/37/64/91/1114376491.db2.gz BNRAFXGBCYDTKT-UHFFFAOYSA-N 1 1 350.491 4.085 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783077 1114392693 /nfs/dbraw/zinc/39/26/93/1114392693.db2.gz TYGQRCYKPTZKSB-INIZCTEOSA-N 1 1 357.523 4.285 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000586784843 1114393190 /nfs/dbraw/zinc/39/31/90/1114393190.db2.gz PPSLKRNPFHSLDJ-UHFFFAOYSA-N 1 1 351.469 4.339 20 30 FIEDMO C=CCc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c(O)c(OC)c1 ZINC000164447994 1114496232 /nfs/dbraw/zinc/49/62/32/1114496232.db2.gz WBBFVZKLWLBUDQ-UHFFFAOYSA-N 1 1 358.507 4.097 20 30 FIEDMO C=CCc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c(O)c(OC)c1 ZINC000164447994 1114496236 /nfs/dbraw/zinc/49/62/36/1114496236.db2.gz WBBFVZKLWLBUDQ-UHFFFAOYSA-N 1 1 358.507 4.097 20 30 FIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)o1 ZINC000164775339 1114575569 /nfs/dbraw/zinc/57/55/69/1114575569.db2.gz LVWUUOWLYRQVGK-DNVCBOLYSA-N 1 1 363.461 4.268 20 30 FIEDMO Cc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c(Cl)cc1C#N ZINC000589689218 1114828012 /nfs/dbraw/zinc/82/80/12/1114828012.db2.gz WYQDHWOYYMDXCS-HNNXBMFYSA-N 1 1 354.885 4.016 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000589740952 1114831143 /nfs/dbraw/zinc/83/11/43/1114831143.db2.gz LXKSITAABCVOCB-UHFFFAOYSA-N 1 1 367.493 4.285 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000589744770 1114831886 /nfs/dbraw/zinc/83/18/86/1114831886.db2.gz SFTYIYLEDIAWSF-DEOSSOPVSA-N 1 1 362.517 4.305 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(OC(F)F)c1 ZINC000589743961 1114832710 /nfs/dbraw/zinc/83/27/10/1114832710.db2.gz SZAJDYUZFRSAJO-KSZLIROESA-N 1 1 364.436 4.065 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590006847 1114873158 /nfs/dbraw/zinc/87/31/58/1114873158.db2.gz VBEKFOIRENINRP-OAHLLOKOSA-N 1 1 357.523 4.141 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000573115781 1115045470 /nfs/dbraw/zinc/04/54/70/1115045470.db2.gz NWRFBSOBBRCLRB-BQFCYCMXSA-N 1 1 357.523 4.284 20 30 FIEDMO CC(C)[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccsc1 ZINC000591478050 1115089672 /nfs/dbraw/zinc/08/96/72/1115089672.db2.gz SRNONBXDPYOFQC-VQIMIIECSA-N 1 1 358.507 4.025 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000573366740 1115093976 /nfs/dbraw/zinc/09/39/76/1115093976.db2.gz VRZSLKCAVQPUEJ-UHFFFAOYSA-N 1 1 366.358 4.365 20 30 FIEDMO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592093214 1115202525 /nfs/dbraw/zinc/20/25/25/1115202525.db2.gz LRMKVMDBCGFHQF-MRXNPFEDSA-N 1 1 353.466 4.382 20 30 FIEDMO CCCCCOc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592093206 1115202751 /nfs/dbraw/zinc/20/27/51/1115202751.db2.gz LRMKVMDBCGFHQF-INIZCTEOSA-N 1 1 353.466 4.382 20 30 FIEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592154720 1115212120 /nfs/dbraw/zinc/21/21/20/1115212120.db2.gz UHMIOFKBGNZOAU-MSOLQXFVSA-N 1 1 350.466 4.256 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592187163 1115220422 /nfs/dbraw/zinc/22/04/22/1115220422.db2.gz LQMZHLBLJVVOIT-UTKZUKDTSA-N 1 1 357.457 4.279 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592187163 1115220426 /nfs/dbraw/zinc/22/04/26/1115220426.db2.gz LQMZHLBLJVVOIT-UTKZUKDTSA-N 1 1 357.457 4.279 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000592761495 1115263992 /nfs/dbraw/zinc/26/39/92/1115263992.db2.gz PDSIQDLAANOKPQ-SMDDNHRTSA-N 1 1 365.264 4.084 20 30 FIEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000592500583 1115331492 /nfs/dbraw/zinc/33/14/92/1115331492.db2.gz IEUIDCNWYAPHCL-UHFFFAOYSA-N 1 1 358.445 4.150 20 30 FIEDMO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593597631 1115335223 /nfs/dbraw/zinc/33/52/23/1115335223.db2.gz BOSKEQLRKASAKL-DQYPLSBCSA-N 1 1 365.880 4.059 20 30 FIEDMO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593597631 1115335224 /nfs/dbraw/zinc/33/52/24/1115335224.db2.gz BOSKEQLRKASAKL-DQYPLSBCSA-N 1 1 365.880 4.059 20 30 FIEDMO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593597634 1115335404 /nfs/dbraw/zinc/33/54/04/1115335404.db2.gz BOSKEQLRKASAKL-OAUYIBNBSA-N 1 1 365.880 4.059 20 30 FIEDMO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593597634 1115335405 /nfs/dbraw/zinc/33/54/05/1115335405.db2.gz BOSKEQLRKASAKL-OAUYIBNBSA-N 1 1 365.880 4.059 20 30 FIEDMO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC1 ZINC000593649485 1115337418 /nfs/dbraw/zinc/33/74/18/1115337418.db2.gz JEXBDZCWJZCOIX-UHFFFAOYSA-N 1 1 371.488 4.167 20 30 FIEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593650574 1115337444 /nfs/dbraw/zinc/33/74/44/1115337444.db2.gz VKZMHVNROORNLD-UHFFFAOYSA-N 1 1 356.901 4.375 20 30 FIEDMO CCOc1c(Br)cc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593650529 1115337553 /nfs/dbraw/zinc/33/75/53/1115337553.db2.gz TXSBWTHEEZNUNM-UHFFFAOYSA-N 1 1 367.287 4.030 20 30 FIEDMO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000593679471 1115338497 /nfs/dbraw/zinc/33/84/97/1115338497.db2.gz ZYHZAMIEUVADIC-QFIPXVFZSA-N 1 1 374.488 4.176 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000249970733 1115386592 /nfs/dbraw/zinc/38/65/92/1115386592.db2.gz OUNWEGLKCFIICL-VGSWGCGISA-N 1 1 361.489 4.135 20 30 FIEDMO N#CCCSc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594286381 1115409567 /nfs/dbraw/zinc/40/95/67/1115409567.db2.gz XJEWMXOXTJDXTJ-SFHVURJKSA-N 1 1 365.502 4.153 20 30 FIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594336504 1115425921 /nfs/dbraw/zinc/42/59/21/1115425921.db2.gz LIKXWIRDPAMBIZ-HKUYNNGSSA-N 1 1 365.880 4.203 20 30 FIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594336504 1115425923 /nfs/dbraw/zinc/42/59/23/1115425923.db2.gz LIKXWIRDPAMBIZ-HKUYNNGSSA-N 1 1 365.880 4.203 20 30 FIEDMO COc1ccc([C@H](CCC#N)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000574753411 1115437407 /nfs/dbraw/zinc/43/74/07/1115437407.db2.gz JBUVLPBWUVHLQB-GCJKJVERSA-N 1 1 351.494 4.150 20 30 FIEDMO COc1ccc([C@H](CCC#N)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000574753411 1115437409 /nfs/dbraw/zinc/43/74/09/1115437409.db2.gz JBUVLPBWUVHLQB-GCJKJVERSA-N 1 1 351.494 4.150 20 30 FIEDMO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)cc1OCCCC#N ZINC000594613258 1115471437 /nfs/dbraw/zinc/47/14/37/1115471437.db2.gz BJJOKNOOSCJFNR-SFHVURJKSA-N 1 1 372.509 4.301 20 30 FIEDMO N#CC1(c2ccc(C[NH2+]Cc3ccc(F)cc3Br)cc2)CC1 ZINC000594922563 1115489554 /nfs/dbraw/zinc/48/95/54/1115489554.db2.gz FPMDKHRMWJESTI-UHFFFAOYSA-N 1 1 359.242 4.433 20 30 FIEDMO C[C@@H](c1cccc(NCc2ccc(C3(C#N)CC3)cc2)c1)[NH+]1CCOCC1 ZINC000594936671 1115501081 /nfs/dbraw/zinc/50/10/81/1115501081.db2.gz UTIUWMZCCVFDJL-SFHVURJKSA-N 1 1 361.489 4.247 20 30 FIEDMO CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295765 1115521342 /nfs/dbraw/zinc/52/13/42/1115521342.db2.gz RHNSQLFJAFHKFE-YWZLYKJASA-N 1 1 365.502 4.444 20 30 FIEDMO N#Cc1ccc(CC[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000595296220 1115521919 /nfs/dbraw/zinc/52/19/19/1115521919.db2.gz XWRZJLQEQMMYRX-OKILXGFUSA-N 1 1 350.306 4.163 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000593019787 1115538468 /nfs/dbraw/zinc/53/84/68/1115538468.db2.gz LZBLLGHETZJYFG-KRWDZBQOSA-N 1 1 360.417 4.327 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595472539 1115538699 /nfs/dbraw/zinc/53/86/99/1115538699.db2.gz MRXFIHCKUYPESV-UHFFFAOYSA-N 1 1 359.445 4.009 20 30 FIEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)nn1 ZINC000595519288 1115540070 /nfs/dbraw/zinc/54/00/70/1115540070.db2.gz WIHJHWBIRZALMF-UHFFFAOYSA-N 1 1 363.509 4.340 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595549779 1115542125 /nfs/dbraw/zinc/54/21/25/1115542125.db2.gz MRXRKRONQDRKRX-KUHUBIRLSA-N 1 1 351.475 4.054 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000595614903 1115553503 /nfs/dbraw/zinc/55/35/03/1115553503.db2.gz JIINPIIDTYBMKP-PGRDOPGGSA-N 1 1 353.510 4.050 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000595614903 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CCOc1ccc(/C=N\Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(O)c1 ZINC000920386509 1123450758 /nfs/dbraw/zinc/45/07/58/1123450758.db2.gz AXXYEPUDBWLPSF-XKZIYDEJSA-N 1 1 353.397 4.043 20 30 FIEDMO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921260565 1123605257 /nfs/dbraw/zinc/60/52/57/1123605257.db2.gz BAQTXSNSTGIVCU-WWJLXRQJSA-N 1 1 359.473 4.272 20 30 FIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000609333979 1123668728 /nfs/dbraw/zinc/66/87/28/1123668728.db2.gz GJGYHNVQCRNGFQ-FQEVSTJZSA-N 1 1 363.461 4.123 20 30 FIEDMO C#CCCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000130757299 1123748930 /nfs/dbraw/zinc/74/89/30/1123748930.db2.gz GISVITFQOQWRFL-UHFFFAOYSA-N 1 1 367.320 4.268 20 30 FIEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1ccco1 ZINC000195583788 1123771093 /nfs/dbraw/zinc/77/10/93/1123771093.db2.gz MKMDUKNUZKWRHT-NRFANRHFSA-N 1 1 373.456 4.104 20 30 FIEDMO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000609625613 1123772961 /nfs/dbraw/zinc/77/29/61/1123772961.db2.gz BTHLLMPSHIZNER-LJQANCHMSA-N 1 1 353.853 4.160 20 30 FIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000609625613 1123772964 /nfs/dbraw/zinc/77/29/64/1123772964.db2.gz BTHLLMPSHIZNER-LJQANCHMSA-N 1 1 353.853 4.160 20 30 FIEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609991150 1123917208 /nfs/dbraw/zinc/91/72/08/1123917208.db2.gz FWLZDAPWHLRRCS-AZUAARDMSA-N 1 1 367.880 4.418 20 30 FIEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000609991150 1123917211 /nfs/dbraw/zinc/91/72/11/1123917211.db2.gz FWLZDAPWHLRRCS-AZUAARDMSA-N 1 1 367.880 4.418 20 30 FIEDMO C=CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(Cl)s1 ZINC000610132238 1123949607 /nfs/dbraw/zinc/94/96/07/1123949607.db2.gz HZIYRZZDJPSXEQ-UHFFFAOYSA-N 1 1 362.882 4.349 20 30 FIEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(Cl)s1 ZINC000610132238 1123949608 /nfs/dbraw/zinc/94/96/08/1123949608.db2.gz HZIYRZZDJPSXEQ-UHFFFAOYSA-N 1 1 362.882 4.349 20 30 FIEDMO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000237597386 1123993945 /nfs/dbraw/zinc/99/39/45/1123993945.db2.gz UIUIFXSBRZRAKQ-LJQANCHMSA-N 1 1 363.505 4.253 20 30 FIEDMO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1c1ccccc1 ZINC000245433485 1124031374 /nfs/dbraw/zinc/03/13/74/1124031374.db2.gz PFAGDWNISXZRAH-GAJHUEQPSA-N 1 1 357.457 4.431 20 30 FIEDMO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1c1ccccc1 ZINC000245433485 1124031378 /nfs/dbraw/zinc/03/13/78/1124031378.db2.gz PFAGDWNISXZRAH-GAJHUEQPSA-N 1 1 357.457 4.431 20 30 FIEDMO COc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000245728524 1124225878 /nfs/dbraw/zinc/22/58/78/1124225878.db2.gz JEXHNCFTKYEPJV-YLJYHZDGSA-N 1 1 360.523 4.238 20 30 FIEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301395745 1124226063 /nfs/dbraw/zinc/22/60/63/1124226063.db2.gz FOBVYHIEIBUYFX-INIZCTEOSA-N 1 1 362.502 4.492 20 30 FIEDMO CCc1nnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C#N)c1CC ZINC000301654094 1124250177 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30 FIEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000616302898 1124284086 /nfs/dbraw/zinc/28/40/86/1124284086.db2.gz OFNYZDAAGVYSII-IBGZPJMESA-N 1 1 373.500 4.073 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000302108219 1124284192 /nfs/dbraw/zinc/28/41/92/1124284192.db2.gz OKMQZRYNVAFJAC-FXAWDEMLSA-N 1 1 353.491 4.317 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000302157617 1124288363 /nfs/dbraw/zinc/28/83/63/1124288363.db2.gz FTYFPDGCJJOOCU-INIZCTEOSA-N 1 1 364.449 4.453 20 30 FIEDMO Cc1ccc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302676385 1124337750 /nfs/dbraw/zinc/33/77/50/1124337750.db2.gz UPOZHIFCDJTXFI-KUHUBIRLSA-N 1 1 358.848 4.159 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000542802797 1124343018 /nfs/dbraw/zinc/34/30/18/1124343018.db2.gz XIVWNHNAMVAMSX-CNZFZVQHSA-N 1 1 351.475 4.126 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1Br ZINC000180555373 1124365136 /nfs/dbraw/zinc/36/51/36/1124365136.db2.gz CDZSTDTZJIVVEI-GFCCVEGCSA-N 1 1 363.230 4.341 20 30 FIEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000302999158 1124380350 /nfs/dbraw/zinc/38/03/50/1124380350.db2.gz HCBCTLXEFJAWIJ-INIZCTEOSA-N 1 1 353.853 4.062 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000617216788 1124477087 /nfs/dbraw/zinc/47/70/87/1124477087.db2.gz UGTNBPNYVGWLEN-UHFFFAOYSA-N 1 1 359.242 4.134 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000617210290 1124484784 /nfs/dbraw/zinc/48/47/84/1124484784.db2.gz PYYPRKLDLLMTGF-GOSISDBHSA-N 1 1 357.251 4.363 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000617210290 1124484792 /nfs/dbraw/zinc/48/47/92/1124484792.db2.gz PYYPRKLDLLMTGF-GOSISDBHSA-N 1 1 357.251 4.363 20 30 FIEDMO N#CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246486839 1124514072 /nfs/dbraw/zinc/51/40/72/1124514072.db2.gz GWGAJUXMFLXNBW-FGZHOGPDSA-N 1 1 361.489 4.060 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000554847502 1124539325 /nfs/dbraw/zinc/53/93/25/1124539325.db2.gz WBNSSWSGMPWSED-QGZVFWFLSA-N 1 1 352.400 4.382 20 30 FIEDMO Cc1cc(C(=O)C[NH+]2CCC(CC#N)CC2)c(C)n1Cc1cccs1 ZINC000542879637 1124548736 /nfs/dbraw/zinc/54/87/36/1124548736.db2.gz UQXLTRRMRSLTNM-UHFFFAOYSA-N 1 1 355.507 4.023 20 30 FIEDMO CCCn1cc[nH+]c1CCCN(C)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000617481377 1124587453 /nfs/dbraw/zinc/58/74/53/1124587453.db2.gz DVJZMKUSQMFBRP-UHFFFAOYSA-N 1 1 369.419 4.060 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccsc2)s1 ZINC000554889930 1124717741 /nfs/dbraw/zinc/71/77/41/1124717741.db2.gz QHKRGWJSBCVEGW-UHFFFAOYSA-N 1 1 369.515 4.392 20 30 FIEDMO N#Cc1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn2ccccc12 ZINC000073571050 1124720926 /nfs/dbraw/zinc/72/09/26/1124720926.db2.gz SKJBSJKLBARQQO-MRXNPFEDSA-N 1 1 356.429 4.332 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306113 1124887553 /nfs/dbraw/zinc/88/75/53/1124887553.db2.gz XWPVAZDPEUVJJY-PBHICJAKSA-N 1 1 353.853 4.028 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccccc1Br ZINC000181517669 1124993955 /nfs/dbraw/zinc/99/39/55/1124993955.db2.gz PNEYDQKRJQYNTL-UHFFFAOYSA-N 1 1 359.267 4.354 20 30 FIEDMO COc1ccc(F)cc1[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181527576 1124999981 /nfs/dbraw/zinc/99/99/81/1124999981.db2.gz RMTJDJFSVVVIBZ-MRXNPFEDSA-N 1 1 367.468 4.021 20 30 FIEDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181624338 1125076681 /nfs/dbraw/zinc/07/66/81/1125076681.db2.gz BFJPKMOVEUMWDW-MRXNPFEDSA-N 1 1 363.433 4.213 20 30 FIEDMO COc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1OCCCC#N ZINC000091931342 1125098911 /nfs/dbraw/zinc/09/89/11/1125098911.db2.gz HJIIEMXVDREAHD-UHFFFAOYSA-N 1 1 361.873 4.002 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1OCCCC#N ZINC000091931342 1125098920 /nfs/dbraw/zinc/09/89/20/1125098920.db2.gz HJIIEMXVDREAHD-UHFFFAOYSA-N 1 1 361.873 4.002 20 30 FIEDMO CS[C@@H]1CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092064013 1125117787 /nfs/dbraw/zinc/11/77/87/1125117787.db2.gz SYPPXLPMKIZWOZ-LJQANCHMSA-N 1 1 354.523 4.181 20 30 FIEDMO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181748906 1125125355 /nfs/dbraw/zinc/12/53/55/1125125355.db2.gz IJQNKOPOWQKYLS-ROUUACIJSA-N 1 1 351.494 4.369 20 30 FIEDMO C[C@H](CCN[C@@H](C)c1ccc(OCC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000181847413 1125157122 /nfs/dbraw/zinc/15/71/22/1125157122.db2.gz CZYFKHYIICQOSK-MOPGFXCFSA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@H](CCN[C@@H](C)c1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000181847413 1125157127 /nfs/dbraw/zinc/15/71/27/1125157127.db2.gz CZYFKHYIICQOSK-MOPGFXCFSA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N(C)Cc1ccccc1 ZINC000181847413 1125157132 /nfs/dbraw/zinc/15/71/32/1125157132.db2.gz CZYFKHYIICQOSK-MOPGFXCFSA-N 1 1 351.494 4.150 20 30 FIEDMO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000618804817 1125284409 /nfs/dbraw/zinc/28/44/09/1125284409.db2.gz MLAXWAFPIABANK-VFNWGFHPSA-N 1 1 357.461 4.094 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805610 1125284830 /nfs/dbraw/zinc/28/48/30/1125284830.db2.gz IWGRLOHWTZRJFL-KHUIQGCPSA-N 1 1 357.501 4.331 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805610 1125284835 /nfs/dbraw/zinc/28/48/35/1125284835.db2.gz IWGRLOHWTZRJFL-KHUIQGCPSA-N 1 1 357.501 4.331 20 30 FIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000618805610 1125284838 /nfs/dbraw/zinc/28/48/38/1125284838.db2.gz IWGRLOHWTZRJFL-KHUIQGCPSA-N 1 1 357.501 4.331 20 30 FIEDMO CN(CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000093273812 1125291182 /nfs/dbraw/zinc/29/11/82/1125291182.db2.gz CDXPLCXBOMKMIM-UHFFFAOYSA-N 1 1 373.504 4.032 20 30 FIEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N ZINC000602433601 567979784 /nfs/dbraw/zinc/97/97/84/567979784.db2.gz NGJFRGGMPXMOAW-AWEZNQCLSA-N 1 1 355.404 4.294 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481517516 568005189 /nfs/dbraw/zinc/00/51/89/568005189.db2.gz PCFQTOPTXHONGT-IRXDYDNUSA-N 1 1 365.452 4.294 20 30 FIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517629 568045807 /nfs/dbraw/zinc/04/58/07/568045807.db2.gz TXVOACXCLICRMC-AUUYWEPGSA-N 1 1 351.406 4.058 20 30 FIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000568517630 568045864 /nfs/dbraw/zinc/04/58/64/568045864.db2.gz TXVOACXCLICRMC-IFXJQAMLSA-N 1 1 351.406 4.058 20 30 FIEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000603840508 568153797 /nfs/dbraw/zinc/15/37/97/568153797.db2.gz CKYZXZCCXJNKHM-SOAGJPPSSA-N 1 1 358.526 4.029 20 30 FIEDMO CC[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000603852185 568166291 /nfs/dbraw/zinc/16/62/91/568166291.db2.gz GWOCFAJHXRVXDK-UHFFFAOYSA-N 1 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ZINC000619754502 1125681002 /nfs/dbraw/zinc/68/10/02/1125681002.db2.gz BJAMJIIEAZKMHW-UHFFFAOYSA-N 1 1 371.887 4.147 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000120195466 1079750645 /nfs/dbraw/zinc/75/06/45/1079750645.db2.gz NLXRLBRFPVUXTF-HZPDHXFCSA-N 1 1 373.460 4.174 20 30 FIEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)nc1 ZINC000430182751 1079760542 /nfs/dbraw/zinc/76/05/42/1079760542.db2.gz XAPSTLSALJSRLJ-CQSZACIVSA-N 1 1 353.809 4.006 20 30 FIEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000179589396 1080206354 /nfs/dbraw/zinc/20/63/54/1080206354.db2.gz HKRGVDLIMJVKNC-UHFFFAOYSA-N 1 1 354.450 4.018 20 30 FIEDMO C[N@H+](CCc1ccc(C#N)cc1)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208926314 1080274768 /nfs/dbraw/zinc/27/47/68/1080274768.db2.gz OGOINXIOXLQUKL-UHFFFAOYSA-N 1 1 371.525 4.070 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2C(F)(F)F)CCC[C@]1(O)C(F)(F)F ZINC001204456606 1080797312 /nfs/dbraw/zinc/79/73/12/1080797312.db2.gz 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C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001167270347 1080936786 /nfs/dbraw/zinc/93/67/86/1080936786.db2.gz HMAIARZDCZFIKJ-UHFFFAOYSA-N 1 1 362.395 4.375 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1C(F)(F)F ZINC000022965827 1081189477 /nfs/dbraw/zinc/18/94/77/1081189477.db2.gz ZKDVAOINQHSQFO-UHFFFAOYSA-N 1 1 367.396 4.099 20 30 FIEDMO C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cccc(C#N)c1 ZINC000610346023 1081501432 /nfs/dbraw/zinc/50/14/32/1081501432.db2.gz HPTQUOHQHYVENX-MBSDFSHPSA-N 1 1 369.468 4.267 20 30 FIEDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C#N)c1 ZINC000610344642 1081501768 /nfs/dbraw/zinc/50/17/68/1081501768.db2.gz CBUZYKCYLAWVJM-ZDUSSCGKSA-N 1 1 364.430 4.441 20 30 FIEDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C#N)c1 ZINC000610344641 1081501833 /nfs/dbraw/zinc/50/18/33/1081501833.db2.gz CBUZYKCYLAWVJM-CYBMUJFWSA-N 1 1 364.430 4.441 20 30 FIEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177686243 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C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)cc(Br)c1 ZINC000512438658 1092349996 /nfs/dbraw/zinc/34/99/96/1092349996.db2.gz IELHXFFNKQWJJG-UHFFFAOYSA-N 1 1 368.246 4.252 20 30 FIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)c1C ZINC000520913759 1092363724 /nfs/dbraw/zinc/36/37/24/1092363724.db2.gz KGXQYACVRTWKKX-UHFFFAOYSA-N 1 1 350.809 4.267 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000520921562 1092366972 /nfs/dbraw/zinc/36/69/72/1092366972.db2.gz QATVEILJDMNTAW-UHFFFAOYSA-N 1 1 360.486 4.004 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000521071313 1092458239 /nfs/dbraw/zinc/45/82/39/1092458239.db2.gz WEMPOMJOACAHHA-HXUWFJFHSA-N 1 1 368.546 4.315 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000521071313 1092458245 /nfs/dbraw/zinc/45/82/45/1092458245.db2.gz WEMPOMJOACAHHA-HXUWFJFHSA-N 1 1 368.546 4.315 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1Cl ZINC000500748310 1092484389 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371.573 4.213 20 30 FIEDMO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538850 1092716287 /nfs/dbraw/zinc/71/62/87/1092716287.db2.gz UPNGWULLBCKDAQ-GFCCVEGCSA-N 1 1 363.248 4.448 20 30 FIEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143538850 1092716290 /nfs/dbraw/zinc/71/62/90/1092716290.db2.gz UPNGWULLBCKDAQ-GFCCVEGCSA-N 1 1 363.248 4.448 20 30 FIEDMO CO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000443071334 1092927506 /nfs/dbraw/zinc/92/75/06/1092927506.db2.gz QADLQGQSWNATAM-UTKZUKDTSA-N 1 1 350.462 4.137 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000246022180 1092977577 /nfs/dbraw/zinc/97/75/77/1092977577.db2.gz MLVCIZWKHUOMMU-JZXOWHBKSA-N 1 1 374.554 4.275 20 30 FIEDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000236939885 1093009464 /nfs/dbraw/zinc/00/94/64/1093009464.db2.gz RMSLQXSDVFBCAD-LJQANCHMSA-N 1 1 356.558 4.027 20 30 FIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000236939885 1093009474 /nfs/dbraw/zinc/00/94/74/1093009474.db2.gz RMSLQXSDVFBCAD-LJQANCHMSA-N 1 1 356.558 4.027 20 30 FIEDMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627547 1093025729 /nfs/dbraw/zinc/02/57/29/1093025729.db2.gz AMJTTWHLZSBEJJ-UVFQYZLESA-N 1 1 357.498 4.493 20 30 FIEDMO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627547 1093025737 /nfs/dbraw/zinc/02/57/37/1093025737.db2.gz AMJTTWHLZSBEJJ-UVFQYZLESA-N 1 1 357.498 4.493 20 30 FIEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614163290 1093033042 /nfs/dbraw/zinc/03/30/42/1093033042.db2.gz XNAMQRSKGMYPME-PKOBYXMFSA-N 1 1 355.526 4.005 20 30 FIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174101 1093047872 /nfs/dbraw/zinc/04/78/72/1093047872.db2.gz BEZGHEXEHJIWIT-SFHVURJKSA-N 1 1 356.510 4.432 20 30 FIEDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000512636913 1093055418 /nfs/dbraw/zinc/05/54/18/1093055418.db2.gz PSIDIJUDSZWZSM-LPHOPBHVSA-N 1 1 368.452 4.414 20 30 FIEDMO C[C@H](NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(C#N)cc1F ZINC000512659181 1093097129 /nfs/dbraw/zinc/09/71/29/1093097129.db2.gz DNCVBMNUOKIEAR-INIZCTEOSA-N 1 1 361.530 4.100 20 30 FIEDMO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)cc1F ZINC000512665864 1093107481 /nfs/dbraw/zinc/10/74/81/1093107481.db2.gz HOSQBOYNEMBTFC-HNNXBMFYSA-N 1 1 374.419 4.195 20 30 FIEDMO COc1ccc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1OCCCC#N ZINC000191225863 1093121566 /nfs/dbraw/zinc/12/15/66/1093121566.db2.gz RNZKZIPFNJSSRA-UHFFFAOYSA-N 1 1 372.509 4.301 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1C ZINC000051853103 1093281001 /nfs/dbraw/zinc/28/10/01/1093281001.db2.gz RUCTZIHZTIHHLO-FQEVSTJZSA-N 1 1 367.518 4.449 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c1C ZINC000051853103 1093281009 /nfs/dbraw/zinc/28/10/09/1093281009.db2.gz RUCTZIHZTIHHLO-FQEVSTJZSA-N 1 1 367.518 4.449 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474145473 1093447682 /nfs/dbraw/zinc/44/76/82/1093447682.db2.gz HWWSHFIITFCOBQ-UHFFFAOYSA-N 1 1 365.868 4.203 20 30 FIEDMO CCN(C(=O)c1cccc(C#N)c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000513061433 1093713353 /nfs/dbraw/zinc/71/33/53/1093713353.db2.gz MIUIVVXXFYOVRG-RXVVDRJESA-N 1 1 361.489 4.164 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000614407294 1093826883 /nfs/dbraw/zinc/82/68/83/1093826883.db2.gz MZTOCFJEYKYAMD-LJQANCHMSA-N 1 1 360.379 4.459 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000614407294 1093826893 /nfs/dbraw/zinc/82/68/93/1093826893.db2.gz MZTOCFJEYKYAMD-LJQANCHMSA-N 1 1 360.379 4.459 20 30 FIEDMO COCCOCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000576551804 1093949169 /nfs/dbraw/zinc/94/91/69/1093949169.db2.gz OMYNWFQFDQWXSF-XZOQPEGZSA-N 1 1 364.489 4.121 20 30 FIEDMO CCN(Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729268120 1093954380 /nfs/dbraw/zinc/95/43/80/1093954380.db2.gz MJLAKYLTODTSFS-KNQAVFIVSA-N 1 1 363.505 4.246 20 30 FIEDMO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000729268120 1093954383 /nfs/dbraw/zinc/95/43/83/1093954383.db2.gz MJLAKYLTODTSFS-KNQAVFIVSA-N 1 1 363.505 4.246 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000729268120 1093954385 /nfs/dbraw/zinc/95/43/85/1093954385.db2.gz MJLAKYLTODTSFS-KNQAVFIVSA-N 1 1 363.505 4.246 20 30 FIEDMO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000729266653 1093954554 /nfs/dbraw/zinc/95/45/54/1093954554.db2.gz ADXFBEHCVMXVNX-QGZVFWFLSA-N 1 1 369.896 4.121 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513247623 1094028516 /nfs/dbraw/zinc/02/85/16/1094028516.db2.gz SZSOTMLMUCJOSM-VQIMIIECSA-N 1 1 365.502 4.324 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000513434560 1094121812 /nfs/dbraw/zinc/12/18/12/1094121812.db2.gz JWIPVAQFGDKAOF-MAUKXSAKSA-N 1 1 361.432 4.126 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000501219070 1094555553 /nfs/dbraw/zinc/55/55/53/1094555553.db2.gz SQTORWRTCJKBRV-KRWDZBQOSA-N 1 1 367.518 4.282 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000501217447 1094563492 /nfs/dbraw/zinc/56/34/92/1094563492.db2.gz MBMWCTYZQCECIS-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000501217447 1094563499 /nfs/dbraw/zinc/56/34/99/1094563499.db2.gz MBMWCTYZQCECIS-UHFFFAOYSA-N 1 1 350.340 4.097 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000513713782 1094710203 /nfs/dbraw/zinc/71/02/03/1094710203.db2.gz TVTSHLBFZJPJEA-HNNXBMFYSA-N 1 1 367.880 4.053 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000513713782 1094710215 /nfs/dbraw/zinc/71/02/15/1094710215.db2.gz TVTSHLBFZJPJEA-HNNXBMFYSA-N 1 1 367.880 4.053 20 30 FIEDMO O=C(Nc1cccc(COC2CCCCC2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329211555 1094781363 /nfs/dbraw/zinc/78/13/63/1094781363.db2.gz HEFDHUHTWCZYAR-LEWJYISDSA-N 1 1 371.525 4.298 20 30 FIEDMO CCCc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnn1-c1ccccc1 ZINC000329305146 1094830016 /nfs/dbraw/zinc/83/00/16/1094830016.db2.gz ARCQGIKIQJMHQY-JLYLLQBASA-N 1 1 366.509 4.145 20 30 FIEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000329336359 1094847570 /nfs/dbraw/zinc/84/75/70/1094847570.db2.gz LSLASLDNENBXIL-DHRZBBNESA-N 1 1 354.498 4.207 20 30 FIEDMO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329413378 1094889795 /nfs/dbraw/zinc/88/97/95/1094889795.db2.gz CGLSDZRITOWXFB-NBYUQASBSA-N 1 1 371.525 4.407 20 30 FIEDMO O=C(CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccccc1 ZINC000329433914 1094904310 /nfs/dbraw/zinc/90/43/10/1094904310.db2.gz JBKIUCOYVNQAPZ-QGZVFWFLSA-N 1 1 367.497 4.320 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)C2CC2)c1C 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1112835577 /nfs/dbraw/zinc/83/55/77/1112835577.db2.gz WMQYRQNOXRGNNS-SFHVURJKSA-N 1 1 371.868 4.119 20 30 FIEDMO COc1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1OC(C)C ZINC000600214269 1112930343 /nfs/dbraw/zinc/93/03/43/1112930343.db2.gz OEVLVYXEXIJNFV-UHFFFAOYSA-N 1 1 350.462 4.107 20 30 FIEDMO COc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1OC(C)C ZINC000600214269 1112930344 /nfs/dbraw/zinc/93/03/44/1112930344.db2.gz OEVLVYXEXIJNFV-UHFFFAOYSA-N 1 1 350.462 4.107 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000481604058 1112996512 /nfs/dbraw/zinc/99/65/12/1112996512.db2.gz KKWVEFMGYBIBSS-NRFANRHFSA-N 1 1 370.443 4.020 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481607022 1112996868 /nfs/dbraw/zinc/99/68/68/1112996868.db2.gz JVBUZTLOIOEBTN-BFUOFWGJSA-N 1 1 362.395 4.016 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481607024 1112997105 /nfs/dbraw/zinc/99/71/05/1112997105.db2.gz JVBUZTLOIOEBTN-ORAYPTAESA-N 1 1 362.395 4.016 20 30 FIEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000555838570 1113021142 /nfs/dbraw/zinc/02/11/42/1113021142.db2.gz UICPQUFWLKTBIQ-NRFANRHFSA-N 1 1 371.488 4.157 20 30 FIEDMO COc1cc(Cl)ccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000482672532 1113328069 /nfs/dbraw/zinc/32/80/69/1113328069.db2.gz MXWPGJVTHIYJMK-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111307050 1113348900 /nfs/dbraw/zinc/34/89/00/1113348900.db2.gz HKLRWHYQWIRIBC-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc(OC)c1O ZINC000668673026 1113631707 /nfs/dbraw/zinc/63/17/07/1113631707.db2.gz GEIRVBAOOGOUIH-OAQYLSRUSA-N 1 1 369.461 4.076 20 30 FIEDMO C=CCc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc(OC)c1O ZINC000668673026 1113631708 /nfs/dbraw/zinc/63/17/08/1113631708.db2.gz GEIRVBAOOGOUIH-OAQYLSRUSA-N 1 1 369.461 4.076 20 30 FIEDMO C=CCCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486826451 1113657082 /nfs/dbraw/zinc/65/70/82/1113657082.db2.gz WHBLGAPULKUHQX-HGHGUNKESA-N 1 1 352.482 4.230 20 30 FIEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000486929705 1113678894 /nfs/dbraw/zinc/67/88/94/1113678894.db2.gz XHCZMIIPJKGCHS-JQFCIGGWSA-N 1 1 354.416 4.027 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028896000 1114087909 /nfs/dbraw/zinc/08/79/09/1114087909.db2.gz TVOBRZMHQWAFGX-GHMZBOCLSA-N 1 1 363.795 4.168 20 30 FIEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000489428687 1114107418 /nfs/dbraw/zinc/10/74/18/1114107418.db2.gz NQTMXSMKXYTTCR-PXNSSMCTSA-N 1 1 358.482 4.133 20 30 FIEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000489428687 1114107419 /nfs/dbraw/zinc/10/74/19/1114107419.db2.gz NQTMXSMKXYTTCR-PXNSSMCTSA-N 1 1 358.482 4.133 20 30 FIEDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000489633809 1114147366 /nfs/dbraw/zinc/14/73/66/1114147366.db2.gz LCPNZPHZOUIBEM-UHFFFAOYSA-N 1 1 351.469 4.041 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(OC(F)F)c1 ZINC000490045055 1114209887 /nfs/dbraw/zinc/20/98/87/1114209887.db2.gz OGPGUXFEXPRVST-SFHVURJKSA-N 1 1 357.404 4.236 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(OC(F)F)c1 ZINC000490045055 1114209892 /nfs/dbraw/zinc/20/98/92/1114209892.db2.gz OGPGUXFEXPRVST-SFHVURJKSA-N 1 1 357.404 4.236 20 30 FIEDMO COc1cc(N[C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000490063520 1114212554 /nfs/dbraw/zinc/21/25/54/1114212554.db2.gz GPTWHMDYVVZFDN-VQIMIIECSA-N 1 1 365.477 4.213 20 30 FIEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C3CC3)C2)c1C#N ZINC000491133941 1114376936 /nfs/dbraw/zinc/37/69/36/1114376936.db2.gz UQWUOEXMAQCMPM-SFHVURJKSA-N 1 1 368.525 4.152 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000586778948 1114391840 /nfs/dbraw/zinc/39/18/40/1114391840.db2.gz JDVZROQZTPBTFX-XPWALMASSA-N 1 1 360.501 4.492 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000571252070 1114450240 /nfs/dbraw/zinc/45/02/40/1114450240.db2.gz WTGWHNUAWXVYTO-IRXDYDNUSA-N 1 1 350.384 4.111 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000571252070 1114450243 /nfs/dbraw/zinc/45/02/43/1114450243.db2.gz WTGWHNUAWXVYTO-IRXDYDNUSA-N 1 1 350.384 4.111 20 30 FIEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899496 1114559085 /nfs/dbraw/zinc/55/90/85/1114559085.db2.gz ODCHNEKPUPAXBZ-UHFFFAOYSA-N 1 1 366.486 4.459 20 30 FIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899496 1114559088 /nfs/dbraw/zinc/55/90/88/1114559088.db2.gz ODCHNEKPUPAXBZ-UHFFFAOYSA-N 1 1 366.486 4.459 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000572137050 1114612156 /nfs/dbraw/zinc/61/21/56/1114612156.db2.gz WAOYOTJMJAQVIT-UHFFFAOYSA-N 1 1 361.489 4.460 20 30 FIEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000590653531 1114960015 /nfs/dbraw/zinc/96/00/15/1114960015.db2.gz BHVAXNARXMNJBQ-KRWDZBQOSA-N 1 1 367.924 4.397 20 30 FIEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000058072989 1115090853 /nfs/dbraw/zinc/09/08/53/1115090853.db2.gz RFWFFPAFNJAQKA-GOSISDBHSA-N 1 1 369.490 4.184 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000591845180 1115153259 /nfs/dbraw/zinc/15/32/59/1115153259.db2.gz JBVNUISRMMZHBH-NFBKMPQASA-N 1 1 354.457 4.415 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000591845180 1115153261 /nfs/dbraw/zinc/15/32/61/1115153261.db2.gz JBVNUISRMMZHBH-NFBKMPQASA-N 1 1 354.457 4.415 20 30 FIEDMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580268 1115266752 /nfs/dbraw/zinc/26/67/52/1115266752.db2.gz VXGRQSBPQZSSQI-UHFFFAOYSA-N 1 1 372.472 4.234 20 30 FIEDMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580268 1115266755 /nfs/dbraw/zinc/26/67/55/1115266755.db2.gz VXGRQSBPQZSSQI-UHFFFAOYSA-N 1 1 372.472 4.234 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000058580558 1115266824 /nfs/dbraw/zinc/26/68/24/1115266824.db2.gz IDHWKMOKWIRFOI-UHFFFAOYSA-N 1 1 370.294 4.033 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058580619 1115266848 /nfs/dbraw/zinc/26/68/48/1115266848.db2.gz YOVHXAPSRORQAH-UHFFFAOYSA-N 1 1 359.395 4.289 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280366 /nfs/dbraw/zinc/28/03/66/1115280366.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 1 1 353.535 4.191 20 30 FIEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280389 /nfs/dbraw/zinc/28/03/89/1115280389.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 1 1 353.535 4.191 20 30 FIEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280392 /nfs/dbraw/zinc/28/03/92/1115280392.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 1 1 353.535 4.191 20 30 FIEDMO C[C@@H]1[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@H](C)N1Cc1ccccc1 ZINC000593047852 1115282223 /nfs/dbraw/zinc/28/22/23/1115282223.db2.gz DDMFCFJVQQSBQS-PWRODBHTSA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000593047852 1115282224 /nfs/dbraw/zinc/28/22/24/1115282224.db2.gz DDMFCFJVQQSBQS-PWRODBHTSA-N 1 1 369.553 4.070 20 30 FIEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000593047852 1115282227 /nfs/dbraw/zinc/28/22/27/1115282227.db2.gz DDMFCFJVQQSBQS-PWRODBHTSA-N 1 1 369.553 4.070 20 30 FIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000593944047 1115355064 /nfs/dbraw/zinc/35/50/64/1115355064.db2.gz ROQDACABUUAVKX-IBGZPJMESA-N 1 1 362.433 4.399 20 30 FIEDMO N#CCCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000593961891 1115363725 /nfs/dbraw/zinc/36/37/25/1115363725.db2.gz OIFTZVBSPSJTQG-LJQANCHMSA-N 1 1 367.518 4.048 20 30 FIEDMO N#CCCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000593961891 1115363727 /nfs/dbraw/zinc/36/37/27/1115363727.db2.gz OIFTZVBSPSJTQG-LJQANCHMSA-N 1 1 367.518 4.048 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527997 1115413617 /nfs/dbraw/zinc/41/36/17/1115413617.db2.gz XERNEBPYSMOMQE-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527997 1115413620 /nfs/dbraw/zinc/41/36/20/1115413620.db2.gz XERNEBPYSMOMQE-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594336517 1115426048 /nfs/dbraw/zinc/42/60/48/1115426048.db2.gz LIKXWIRDPAMBIZ-IEBWSBKVSA-N 1 1 365.880 4.203 20 30 FIEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594336517 1115426051 /nfs/dbraw/zinc/42/60/51/1115426051.db2.gz LIKXWIRDPAMBIZ-IEBWSBKVSA-N 1 1 365.880 4.203 20 30 FIEDMO COc1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2cc(F)ccc2OC)c1 ZINC000594703877 1115477021 /nfs/dbraw/zinc/47/70/21/1115477021.db2.gz YZFGAGNTNQWXMR-HXUWFJFHSA-N 1 1 354.425 4.216 20 30 FIEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942702 1115501289 /nfs/dbraw/zinc/50/12/89/1115501289.db2.gz ZIZHRIZWGDSUDL-CVDCTZTESA-N 1 1 359.517 4.242 20 30 FIEDMO N#Cc1csc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999645 1115506624 /nfs/dbraw/zinc/50/66/24/1115506624.db2.gz FCXUTPWYIFRUOG-LJQANCHMSA-N 1 1 351.519 4.012 20 30 FIEDMO N#Cc1csc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999645 1115506627 /nfs/dbraw/zinc/50/66/27/1115506627.db2.gz FCXUTPWYIFRUOG-LJQANCHMSA-N 1 1 351.519 4.012 20 30 FIEDMO N#Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001170 1115506641 /nfs/dbraw/zinc/50/66/41/1115506641.db2.gz RFBUKRRMYVEBKH-SFHVURJKSA-N 1 1 351.519 4.012 20 30 FIEDMO N#Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001170 1115506642 /nfs/dbraw/zinc/50/66/42/1115506642.db2.gz RFBUKRRMYVEBKH-SFHVURJKSA-N 1 1 351.519 4.012 20 30 FIEDMO CC1(C#N)CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000595000085 1115506776 /nfs/dbraw/zinc/50/67/76/1115506776.db2.gz IOPKZZHXBGLCQK-HWELCPFYSA-N 1 1 351.538 4.351 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000593019792 1115538637 /nfs/dbraw/zinc/53/86/37/1115538637.db2.gz LZBLLGHETZJYFG-QGZVFWFLSA-N 1 1 360.417 4.327 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000595503972 1115539427 /nfs/dbraw/zinc/53/94/27/1115539427.db2.gz ZXUKRBAEFRJMHM-OAHLLOKOSA-N 1 1 356.267 4.095 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000595620675 1115551205 /nfs/dbraw/zinc/55/12/05/1115551205.db2.gz OKXXRBKINVEJPM-GOSISDBHSA-N 1 1 363.461 4.433 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621451 1115551758 /nfs/dbraw/zinc/55/17/58/1115551758.db2.gz VASMPQLJIKYUGF-XLIONFOSSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000595621451 1115551760 /nfs/dbraw/zinc/55/17/60/1115551760.db2.gz VASMPQLJIKYUGF-XLIONFOSSA-N 1 1 358.445 4.452 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000595610338 1115552954 /nfs/dbraw/zinc/55/29/54/1115552954.db2.gz WSVUTAKVDQQOLN-GOSISDBHSA-N 1 1 371.500 4.113 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000595610338 1115552956 /nfs/dbraw/zinc/55/29/56/1115552956.db2.gz WSVUTAKVDQQOLN-GOSISDBHSA-N 1 1 371.500 4.113 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616124 1115554015 /nfs/dbraw/zinc/55/40/15/1115554015.db2.gz PYYWBYYRPIMLFJ-MSOLQXFVSA-N 1 1 363.461 4.432 20 30 FIEDMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616124 1115554018 /nfs/dbraw/zinc/55/40/18/1115554018.db2.gz PYYWBYYRPIMLFJ-MSOLQXFVSA-N 1 1 363.461 4.432 20 30 FIEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000595660507 1115555998 /nfs/dbraw/zinc/55/59/98/1115555998.db2.gz SSNHUMMUNZDZJL-SJORKVTESA-N 1 1 357.523 4.307 20 30 FIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000595660507 1115556002 /nfs/dbraw/zinc/55/60/02/1115556002.db2.gz SSNHUMMUNZDZJL-SJORKVTESA-N 1 1 357.523 4.307 20 30 FIEDMO N#Cc1cccc(C2([NH2+]Cc3ncc(-c4cccs4)o3)CCOCC2)c1 ZINC000595764163 1115559399 /nfs/dbraw/zinc/55/93/99/1115559399.db2.gz FTLDHHZDUWVZBT-UHFFFAOYSA-N 1 1 365.458 4.070 20 30 FIEDMO CCOc1cccc(Cl)c1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769338 1115559842 /nfs/dbraw/zinc/55/98/42/1115559842.db2.gz PPCMBOUDUHBUCO-UHFFFAOYSA-N 1 1 370.880 4.406 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858613 1115564665 /nfs/dbraw/zinc/56/46/65/1115564665.db2.gz XUTKGTMRYVOTGF-YNBOMUFVSA-N 1 1 357.523 4.282 20 30 FIEDMO Cc1cc(N[C@H]2CCOC(C)(C)C2)c(C#N)c(N[C@@H]2CCOC(C)(C)C2)[nH+]1 ZINC000596171452 1115578396 /nfs/dbraw/zinc/57/83/96/1115578396.db2.gz AOSLJBSXIMOVHH-JKSUJKDBSA-N 1 1 372.513 4.001 20 30 FIEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212882 1115578717 /nfs/dbraw/zinc/57/87/17/1115578717.db2.gz YMEDUIYMESAPRQ-LEWJYISDSA-N 1 1 362.473 4.148 20 30 FIEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c(=O)c1 ZINC000596212882 1115578719 /nfs/dbraw/zinc/57/87/19/1115578719.db2.gz YMEDUIYMESAPRQ-LEWJYISDSA-N 1 1 362.473 4.148 20 30 FIEDMO C=CCCSCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000596701982 1115608883 /nfs/dbraw/zinc/60/88/83/1115608883.db2.gz ZYMXUBBWNFSFQS-UHFFFAOYSA-N 1 1 372.538 4.486 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596733289 1115610597 /nfs/dbraw/zinc/61/05/97/1115610597.db2.gz POGKGNNQIIFRMH-HZPDHXFCSA-N 1 1 374.554 4.323 20 30 FIEDMO CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000761203888 1115619969 /nfs/dbraw/zinc/61/99/69/1115619969.db2.gz NBJGLFHAWCUUIS-ROUUACIJSA-N 1 1 357.498 4.061 20 30 FIEDMO CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000761203888 1115619971 /nfs/dbraw/zinc/61/99/71/1115619971.db2.gz NBJGLFHAWCUUIS-ROUUACIJSA-N 1 1 357.498 4.061 20 30 FIEDMO Cc1cc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)ccc1F ZINC000597012207 1115633174 /nfs/dbraw/zinc/63/31/74/1115633174.db2.gz PLICRVNZHKRJME-NRFANRHFSA-N 1 1 350.437 4.263 20 30 FIEDMO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)ccc1F ZINC000597012207 1115633177 /nfs/dbraw/zinc/63/31/77/1115633177.db2.gz PLICRVNZHKRJME-NRFANRHFSA-N 1 1 350.437 4.263 20 30 FIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)cc2)CC1 ZINC000597128388 1115642400 /nfs/dbraw/zinc/64/24/00/1115642400.db2.gz CUVHOTYLSALNBO-IBGZPJMESA-N 1 1 360.505 4.154 20 30 FIEDMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](CC#N)C3)c2)cc1 ZINC000597174640 1115646921 /nfs/dbraw/zinc/64/69/21/1115646921.db2.gz SLLOXEHUMVLEJG-KRWDZBQOSA-N 1 1 363.461 4.073 20 30 FIEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175370 1115646953 /nfs/dbraw/zinc/64/69/53/1115646953.db2.gz AWJAVGFRBQQBKE-LJQANCHMSA-N 1 1 350.510 4.355 20 30 FIEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(Br)c1O ZINC000597215425 1115648327 /nfs/dbraw/zinc/64/83/27/1115648327.db2.gz BFGUWFQXATTXHZ-UHFFFAOYSA-N 1 1 367.287 4.117 20 30 FIEDMO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000597448023 1115666856 /nfs/dbraw/zinc/66/68/56/1115666856.db2.gz NNWFUOVGUVLPLD-PKOBYXMFSA-N 1 1 359.901 4.066 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000597448023 1115666858 /nfs/dbraw/zinc/66/68/58/1115666858.db2.gz NNWFUOVGUVLPLD-PKOBYXMFSA-N 1 1 359.901 4.066 20 30 FIEDMO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000602005236 1115678623 /nfs/dbraw/zinc/67/86/23/1115678623.db2.gz PGAGJFQYWHCUAX-UHFFFAOYSA-N 1 1 352.331 4.066 20 30 FIEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000060877242 1115724131 /nfs/dbraw/zinc/72/41/31/1115724131.db2.gz PMIKLWOCSNPQEK-AWEZNQCLSA-N 1 1 359.539 4.338 20 30 FIEDMO Cc1ccc(-c2cnc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000602909756 1115731868 /nfs/dbraw/zinc/73/18/68/1115731868.db2.gz NTGJJCMJPKIYNK-UHFFFAOYSA-N 1 1 358.445 4.296 20 30 FIEDMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909689 1115731912 /nfs/dbraw/zinc/73/19/12/1115731912.db2.gz ACPJQEGTOILIMP-CYBMUJFWSA-N 1 1 365.462 4.005 20 30 FIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598591786 1115739112 /nfs/dbraw/zinc/73/91/12/1115739112.db2.gz BSWKJOQBYWSRQO-NVXWUHKLSA-N 1 1 357.523 4.412 20 30 FIEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000598616338 1115740616 /nfs/dbraw/zinc/74/06/16/1115740616.db2.gz VAKLDZFZYLOJLE-LJQANCHMSA-N 1 1 354.519 4.018 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000598609213 1115740878 /nfs/dbraw/zinc/74/08/78/1115740878.db2.gz RZGJWZJDMXVGLS-HOTGVXAUSA-N 1 1 372.456 4.096 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000598609213 1115740880 /nfs/dbraw/zinc/74/08/80/1115740880.db2.gz RZGJWZJDMXVGLS-HOTGVXAUSA-N 1 1 372.456 4.096 20 30 FIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273252 1115803687 /nfs/dbraw/zinc/80/36/87/1115803687.db2.gz BBHCSZLPLMMEBN-UKRRQHHQSA-N 1 1 371.308 4.058 20 30 FIEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](CC)c1ccccc1 ZINC000599297955 1115806291 /nfs/dbraw/zinc/80/62/91/1115806291.db2.gz YVPMJSUIEJNMLG-RTWAWAEBSA-N 1 1 358.526 4.311 20 30 FIEDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C#N ZINC000599438651 1115816428 /nfs/dbraw/zinc/81/64/28/1115816428.db2.gz QXJRIUOIASHLFO-KRWDZBQOSA-N 1 1 352.400 4.048 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc3c(cc2C#N)CCC3)C1 ZINC000603859542 1115822189 /nfs/dbraw/zinc/82/21/89/1115822189.db2.gz IXBLYYHQNSOUKK-QGZVFWFLSA-N 1 1 360.505 4.286 20 30 FIEDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCCSCC#N ZINC000599654334 1115835930 /nfs/dbraw/zinc/83/59/30/1115835930.db2.gz ZMHILZFGAGXUOI-DZGCQCFKSA-N 1 1 353.329 4.274 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000605400210 1115894173 /nfs/dbraw/zinc/89/41/73/1115894173.db2.gz YZPSYHBOOPNFJQ-UHFFFAOYSA-N 1 1 357.457 4.435 20 30 FIEDMO C=CCCCCCN(C)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000606817251 1115972068 /nfs/dbraw/zinc/97/20/68/1115972068.db2.gz VCZSMTBWJOHHFC-OALUTQOASA-N 1 1 358.526 4.114 20 30 FIEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000063309052 1116045816 /nfs/dbraw/zinc/04/58/16/1116045816.db2.gz MSLMKGDKFSVTCT-HNNXBMFYSA-N 1 1 359.539 4.339 20 30 FIEDMO N#Cc1ccc(F)cc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534227668 1116173908 /nfs/dbraw/zinc/17/39/08/1116173908.db2.gz CGDHIWQPGDTVHF-UHFFFAOYSA-N 1 1 363.480 4.185 20 30 FIEDMO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000508839394 1116240497 /nfs/dbraw/zinc/24/04/97/1116240497.db2.gz FEAQKMQUDYANTE-MRXNPFEDSA-N 1 1 373.932 4.124 20 30 FIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428773343 1116251019 /nfs/dbraw/zinc/25/10/19/1116251019.db2.gz QICVMPMGRRUXIG-GUYCJALGSA-N 1 1 361.367 4.186 20 30 FIEDMO C=C(C)[C@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)OCC ZINC000535142782 1116273669 /nfs/dbraw/zinc/27/36/69/1116273669.db2.gz ZYGSRMVYKXOOCP-RXVVDRJESA-N 1 1 358.526 4.049 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000539703745 1116367852 /nfs/dbraw/zinc/36/78/52/1116367852.db2.gz ARSHWHVSHLTOBF-UHFFFAOYSA-N 1 1 355.363 4.237 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)CCCC#N)cc1)C[C@H]1CCCCO1 ZINC000462595384 1116376506 /nfs/dbraw/zinc/37/65/06/1116376506.db2.gz SMLKHXHDGHDQKK-HXUWFJFHSA-N 1 1 357.498 4.098 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)CCCC#N)cc1)C[C@@H]1CCCCO1 ZINC000462595383 1116376566 /nfs/dbraw/zinc/37/65/66/1116376566.db2.gz SMLKHXHDGHDQKK-FQEVSTJZSA-N 1 1 357.498 4.098 20 30 FIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1F ZINC000539765476 1116377389 /nfs/dbraw/zinc/37/73/89/1116377389.db2.gz HQTYBOTVATUCAH-SFHVURJKSA-N 1 1 367.472 4.243 20 30 FIEDMO COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1OCCCC#N ZINC000539838853 1116386860 /nfs/dbraw/zinc/38/68/60/1116386860.db2.gz YYJPKTCLNZWTGD-KRWDZBQOSA-N 1 1 350.462 4.325 20 30 FIEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)c1C ZINC000462773576 1117769047 /nfs/dbraw/zinc/76/90/47/1117769047.db2.gz MXBZHMMJQNAVFR-UHFFFAOYSA-N 1 1 356.429 4.031 20 30 FIEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540054459 1117844129 /nfs/dbraw/zinc/84/41/29/1117844129.db2.gz RCCSDVUTZIMIRH-RHSMWYFYSA-N 1 1 356.514 4.293 20 30 FIEDMO CC[N@@H+](CCC1CCN(c2c(C#N)nnc3ccccc32)CC1)CC(C)C ZINC000540205152 1117932412 /nfs/dbraw/zinc/93/24/12/1117932412.db2.gz ONRISZAISBSCEY-UHFFFAOYSA-N 1 1 365.525 4.086 20 30 FIEDMO C=CCc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc(OC)c1O ZINC000463050118 1117940893 /nfs/dbraw/zinc/94/08/93/1117940893.db2.gz ALCNIHIOCXBUOH-MRXNPFEDSA-N 1 1 372.534 4.070 20 30 FIEDMO C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463439210 1118145909 /nfs/dbraw/zinc/14/59/09/1118145909.db2.gz IOTSRQNQLAXAES-ZJUUUORDSA-N 1 1 357.285 4.254 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463439980 1118164836 /nfs/dbraw/zinc/16/48/36/1118164836.db2.gz MITNVEDMRDPPMR-XMMPIXPASA-N 1 1 362.517 4.305 20 30 FIEDMO Cc1ccnc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350221 1118483239 /nfs/dbraw/zinc/48/32/39/1118483239.db2.gz VNOXOBZDHRNXQV-KSSFIOAISA-N 1 1 358.848 4.159 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443516271 1118486376 /nfs/dbraw/zinc/48/63/76/1118486376.db2.gz FROBEMXTFSGRKM-HNNXBMFYSA-N 1 1 374.410 4.073 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCO[C@H]2CCCCO2)Cc2cccc(F)c2)cc1 ZINC000541587119 1118577201 /nfs/dbraw/zinc/57/72/01/1118577201.db2.gz SAUXLVFSFOATAZ-QFIPXVFZSA-N 1 1 368.452 4.243 20 30 FIEDMO N#Cc1ccc(F)cc1C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464587291 1118617192 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ZINC000609822883 1123850646 /nfs/dbraw/zinc/85/06/46/1123850646.db2.gz OSKRKYWXMCUXLP-KUHUBIRLSA-N 1 1 371.278 4.455 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000609822883 1123850649 /nfs/dbraw/zinc/85/06/49/1123850649.db2.gz OSKRKYWXMCUXLP-KUHUBIRLSA-N 1 1 371.278 4.455 20 30 FIEDMO Cc1ccccc1C[N@H+]1CCCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000609891569 1123880503 /nfs/dbraw/zinc/88/05/03/1123880503.db2.gz IDAKREQSPAYAJM-UHFFFAOYSA-N 1 1 356.473 4.127 20 30 FIEDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)c1 ZINC000609892787 1123880719 /nfs/dbraw/zinc/88/07/19/1123880719.db2.gz AAGKHWLCYZAATH-HNNXBMFYSA-N 1 1 355.869 4.103 20 30 FIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000610004219 1123914946 /nfs/dbraw/zinc/91/49/46/1123914946.db2.gz FLFAQHRDOKCVQD-RXVVDRJESA-N 1 1 353.510 4.111 20 30 FIEDMO CCc1nn(C)cc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179792918 1124073945 /nfs/dbraw/zinc/07/39/45/1124073945.db2.gz HEDDVKBMXYDHGQ-UHFFFAOYSA-N 1 1 362.452 4.196 20 30 FIEDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179792918 1124073949 /nfs/dbraw/zinc/07/39/49/1124073949.db2.gz HEDDVKBMXYDHGQ-UHFFFAOYSA-N 1 1 362.452 4.196 20 30 FIEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179800556 1124081003 /nfs/dbraw/zinc/08/10/03/1124081003.db2.gz MRWYTPCAAOZZRQ-PIGZYNQJSA-N 1 1 361.392 4.114 20 30 FIEDMO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000179796657 1124081324 /nfs/dbraw/zinc/08/13/24/1124081324.db2.gz QJLCELAJCDXQFL-FOIQADDNSA-N 1 1 371.431 4.341 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000301057098 1124186295 /nfs/dbraw/zinc/18/62/95/1124186295.db2.gz ABDXEBLBOVRODV-UHFFFAOYSA-N 1 1 374.513 4.394 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)[C@H]1c1cccs1 ZINC000301400333 1124226465 /nfs/dbraw/zinc/22/64/65/1124226465.db2.gz BQVDAYOCKMKPEH-ACJLOTCBSA-N 1 1 356.451 4.023 20 30 FIEDMO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301422625 1124229304 /nfs/dbraw/zinc/22/93/04/1124229304.db2.gz FSEOMFCHGRRNAC-OAHLLOKOSA-N 1 1 374.410 4.073 20 30 FIEDMO C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301567394 1124242116 /nfs/dbraw/zinc/24/21/16/1124242116.db2.gz KBGPYCOHNLKUBE-WBVHZDCISA-N 1 1 354.885 4.096 20 30 FIEDMO C[C@@H]1C[C@H](N(C)c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301567391 1124242626 /nfs/dbraw/zinc/24/26/26/1124242626.db2.gz KBGPYCOHNLKUBE-NVXWUHKLSA-N 1 1 354.885 4.096 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245794225 1124251254 /nfs/dbraw/zinc/25/12/54/1124251254.db2.gz WQEULBWDRBXZKR-VGSWGCGISA-N 1 1 368.452 4.470 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245794225 1124251260 /nfs/dbraw/zinc/25/12/60/1124251260.db2.gz WQEULBWDRBXZKR-VGSWGCGISA-N 1 1 368.452 4.470 20 30 FIEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 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AGALAJHINIDWCW-UHFFFAOYSA-N 1 1 371.278 4.439 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000554237570 1124311367 /nfs/dbraw/zinc/31/13/67/1124311367.db2.gz AGALAJHINIDWCW-UHFFFAOYSA-N 1 1 371.278 4.439 20 30 FIEDMO N#CC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000057387849 1124319759 /nfs/dbraw/zinc/31/97/59/1124319759.db2.gz AAAIKIIIFOBZKM-GOSISDBHSA-N 1 1 359.901 4.067 20 30 FIEDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302837499 1124357917 /nfs/dbraw/zinc/35/79/17/1124357917.db2.gz XOWMFCQMBCSDGU-FUHWJXTLSA-N 1 1 374.803 4.116 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302837499 1124357923 /nfs/dbraw/zinc/35/79/23/1124357923.db2.gz XOWMFCQMBCSDGU-FUHWJXTLSA-N 1 1 374.803 4.116 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000248016976 1124738293 /nfs/dbraw/zinc/73/82/93/1124738293.db2.gz SSAVVSDHXIPJQI-OAQYLSRUSA-N 1 1 354.881 4.220 20 30 FIEDMO C=CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249140809 1124846962 /nfs/dbraw/zinc/84/69/62/1124846962.db2.gz JNVHMMDAKDQZLW-JTHBVZDNSA-N 1 1 362.517 4.327 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(Cl)c(C#N)n2)C1 ZINC000111218869 1124877324 /nfs/dbraw/zinc/87/73/24/1124877324.db2.gz MQMMLBYBZAKYAO-HNNXBMFYSA-N 1 1 354.885 4.451 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900145 1124938540 /nfs/dbraw/zinc/93/85/40/1124938540.db2.gz OFWSNDRABYJJDM-AUUYWEPGSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075900145 1124938543 /nfs/dbraw/zinc/93/85/43/1124938543.db2.gz OFWSNDRABYJJDM-AUUYWEPGSA-N 1 1 362.408 4.330 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519792 1124992387 /nfs/dbraw/zinc/99/23/87/1124992387.db2.gz BPISMXKLTFXSOW-IAGOWNOFSA-N 1 1 352.400 4.019 20 30 FIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(Br)c1 ZINC000181712742 1125110906 /nfs/dbraw/zinc/11/09/06/1125110906.db2.gz PKEWDNQUMPFOGK-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093361856 1125314594 /nfs/dbraw/zinc/31/45/94/1125314594.db2.gz AVPRIXFKSCTUBS-SFHVURJKSA-N 1 1 362.539 4.485 20 30 FIEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000105419237 222368356 /nfs/dbraw/zinc/36/83/56/222368356.db2.gz YXVAYVLYYPREKG-LBPRGKRZSA-N 1 1 371.531 4.118 20 30 FIEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370226 567822035 /nfs/dbraw/zinc/82/20/35/567822035.db2.gz ITBJCPVQQLAHLS-IFXJQAMLSA-N 1 1 356.514 4.151 20 30 FIEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000481370228 567823281 /nfs/dbraw/zinc/82/32/81/567823281.db2.gz ITBJCPVQQLAHLS-LIRRHRJNSA-N 1 1 356.514 4.151 20 30 FIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000602628589 568007397 /nfs/dbraw/zinc/00/73/97/568007397.db2.gz HITRMKIRTCTEAU-HNNXBMFYSA-N 1 1 365.315 4.370 20 30 FIEDMO COc1ccc(C[NH2+]Cc2nsc3ccccc23)cc1OCCCC#N ZINC000603428603 568096780 /nfs/dbraw/zinc/09/67/80/568096780.db2.gz KFJHGJVAQBXHBS-UHFFFAOYSA-N 1 1 367.474 4.277 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1)c1cccc(Cl)c1 ZINC000603662299 568134789 /nfs/dbraw/zinc/13/47/89/568134789.db2.gz OLMFAUNCMQYOIP-GOSISDBHSA-N 1 1 373.909 4.485 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1)c1cccc(Cl)c1 ZINC000603662299 568134790 /nfs/dbraw/zinc/13/47/90/568134790.db2.gz OLMFAUNCMQYOIP-GOSISDBHSA-N 1 1 373.909 4.485 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482009020 568226581 /nfs/dbraw/zinc/22/65/81/568226581.db2.gz TXZYKTHRPIEKJN-XUZZJYLKSA-N 1 1 359.517 4.437 20 30 FIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000482009020 568226582 /nfs/dbraw/zinc/22/65/82/568226582.db2.gz TXZYKTHRPIEKJN-XUZZJYLKSA-N 1 1 359.517 4.437 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000303852675 568282476 /nfs/dbraw/zinc/28/24/76/568282476.db2.gz DYVWDCFZUXNRSR-MRXNPFEDSA-N 1 1 359.539 4.389 20 30 FIEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633361 1125471283 /nfs/dbraw/zinc/47/12/83/1125471283.db2.gz ULMUIUHEQKCTBR-IAGOWNOFSA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633361 1125471288 /nfs/dbraw/zinc/47/12/88/1125471288.db2.gz ULMUIUHEQKCTBR-IAGOWNOFSA-N 1 1 352.400 4.019 20 30 FIEDMO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1cccc(C#N)c1 ZINC000619553242 1125614380 /nfs/dbraw/zinc/61/43/80/1125614380.db2.gz YZDQOIOWLYLBEK-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO N#Cc1cc(C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)ccn1 ZINC000619622613 1125635052 /nfs/dbraw/zinc/63/50/52/1125635052.db2.gz GZFAKISLGASZAH-UHFFFAOYSA-N 1 1 363.358 4.433 20 30 FIEDMO N#CC1(CCC[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCOCC1 ZINC000619620865 1125641596 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FIEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000433026971 1093126512 /nfs/dbraw/zinc/12/65/12/1093126512.db2.gz IYOYPHOXOKVOON-SFHVURJKSA-N 1 1 350.397 4.400 20 30 FIEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000522164226 1093137296 /nfs/dbraw/zinc/13/72/96/1093137296.db2.gz SQAWCNMBZKZCPL-QGZVFWFLSA-N 1 1 355.507 4.073 20 30 FIEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000522164226 1093137302 /nfs/dbraw/zinc/13/73/02/1093137302.db2.gz SQAWCNMBZKZCPL-QGZVFWFLSA-N 1 1 355.507 4.073 20 30 FIEDMO C[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017490 1093151218 /nfs/dbraw/zinc/15/12/18/1093151218.db2.gz ARPHGACTKRXDHC-UPHUGPLXSA-N 1 1 351.469 4.229 20 30 FIEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168017490 1093151228 /nfs/dbraw/zinc/15/12/28/1093151228.db2.gz ARPHGACTKRXDHC-UPHUGPLXSA-N 1 1 351.469 4.229 20 30 FIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000433060116 1093168102 /nfs/dbraw/zinc/16/81/02/1093168102.db2.gz WYZBRZNAJLUVRA-FQEVSTJZSA-N 1 1 358.445 4.160 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433059571 1093178412 /nfs/dbraw/zinc/17/84/12/1093178412.db2.gz ULJXFVXNYDNXLG-PZJWPPBQSA-N 1 1 361.489 4.201 20 30 FIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000190503842 1093292479 /nfs/dbraw/zinc/29/24/79/1093292479.db2.gz OFJNMCUVOJYFIO-UHFFFAOYSA-N 1 1 369.472 4.462 20 30 FIEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550524628 1093293149 /nfs/dbraw/zinc/29/31/49/1093293149.db2.gz AGSVCLADFPIZRZ-MRXNPFEDSA-N 1 1 367.356 4.493 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443597940 1093310374 /nfs/dbraw/zinc/31/03/74/1093310374.db2.gz GGSANVGIWDUIAQ-INIZCTEOSA-N 1 1 374.554 4.324 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C[C@@H](C)C#N ZINC000509812295 1093416426 /nfs/dbraw/zinc/41/64/26/1093416426.db2.gz MQCAARNXKQMWNV-KRWDZBQOSA-N 1 1 362.477 4.203 20 30 FIEDMO CC[N@H+](Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)C[C@@H](C)C#N ZINC000509812295 1093416433 /nfs/dbraw/zinc/41/64/33/1093416433.db2.gz MQCAARNXKQMWNV-KRWDZBQOSA-N 1 1 362.477 4.203 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000474159273 1093505351 /nfs/dbraw/zinc/50/53/51/1093505351.db2.gz OXHMDICKAJGAHX-QWFCFKBJSA-N 1 1 350.453 4.207 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000474159273 1093505364 /nfs/dbraw/zinc/50/53/64/1093505364.db2.gz OXHMDICKAJGAHX-QWFCFKBJSA-N 1 1 350.453 4.207 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000474159272 1093506007 /nfs/dbraw/zinc/50/60/07/1093506007.db2.gz OXHMDICKAJGAHX-NLWGTHIKSA-N 1 1 350.453 4.207 20 30 FIEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000474159272 1093506013 /nfs/dbraw/zinc/50/60/13/1093506013.db2.gz OXHMDICKAJGAHX-NLWGTHIKSA-N 1 1 350.453 4.207 20 30 FIEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512912411 1093550391 /nfs/dbraw/zinc/55/03/91/1093550391.db2.gz OQGLDCMKCPISON-ZDUSSCGKSA-N 1 1 359.832 4.372 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433305501 1093560006 /nfs/dbraw/zinc/56/00/06/1093560006.db2.gz PQYDEKZCBDNMTD-IRXDYDNUSA-N 1 1 357.416 4.184 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433312735 1093564992 /nfs/dbraw/zinc/56/49/92/1093564992.db2.gz NECGPJUIGPIOKL-KRWDZBQOSA-N 1 1 353.853 4.030 20 30 FIEDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC001141816835 1093597103 /nfs/dbraw/zinc/59/71/03/1093597103.db2.gz NGEDYNLEMFHGMM-UHFFFAOYSA-N 1 1 373.294 4.394 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(OCC#N)cc1 ZINC000729267960 1093954424 /nfs/dbraw/zinc/95/44/24/1093954424.db2.gz BSUYCILBEJLROK-UHFFFAOYSA-N 1 1 361.445 4.309 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000729268096 1093954532 /nfs/dbraw/zinc/95/45/32/1093954532.db2.gz LJSZXRZKCMETNX-FQEVSTJZSA-N 1 1 371.525 4.416 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000513231327 1094014558 /nfs/dbraw/zinc/01/45/58/1094014558.db2.gz HPBHOYJCGZISJG-SCLBCKFNSA-N 1 1 353.491 4.258 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000513231327 1094014563 /nfs/dbraw/zinc/01/45/63/1094014563.db2.gz HPBHOYJCGZISJG-SCLBCKFNSA-N 1 1 353.491 4.258 20 30 FIEDMO C=C1CC[NH+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000513452070 1094138719 /nfs/dbraw/zinc/13/87/19/1094138719.db2.gz VOGXNSXSEDVEHC-UHFFFAOYSA-N 1 1 353.462 4.435 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433856503 1094144470 /nfs/dbraw/zinc/14/44/70/1094144470.db2.gz XLZLBLNDESDNBE-UHFFFAOYSA-N 1 1 373.541 4.113 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433856503 1094144473 /nfs/dbraw/zinc/14/44/73/1094144473.db2.gz XLZLBLNDESDNBE-UHFFFAOYSA-N 1 1 373.541 4.113 20 30 FIEDMO C=CCC1(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000664211794 1094230264 /nfs/dbraw/zinc/23/02/64/1094230264.db2.gz FLSZAIHEHPMHQA-AEFFLSMTSA-N 1 1 361.555 4.319 20 30 FIEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000513656203 1094257332 /nfs/dbraw/zinc/25/73/32/1094257332.db2.gz QPNDMDGSPGUKEG-HSZRJFAPSA-N 1 1 369.468 4.165 20 30 FIEDMO FC(F)(F)Cc1ncc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)s1 ZINC000896225219 1094478025 /nfs/dbraw/zinc/47/80/25/1094478025.db2.gz VVQBTCKFBOQSON-JTQLQIEISA-N 1 1 362.314 4.114 20 30 FIEDMO C[C@@H]1C[C@@H](N2CCc3cc(C#N)ccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040372 1094504220 /nfs/dbraw/zinc/50/42/20/1094504220.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 1 1 359.517 4.358 20 30 FIEDMO C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168040372 1094504222 /nfs/dbraw/zinc/50/42/22/1094504222.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 1 1 359.517 4.358 20 30 FIEDMO C[C@@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168040372 1094504229 /nfs/dbraw/zinc/50/42/29/1094504229.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 1 1 359.517 4.358 20 30 FIEDMO O=C(C[C@@H]1CCCC[C@H]1O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000329117657 1094745487 /nfs/dbraw/zinc/74/54/87/1094745487.db2.gz URGFAHDQLHNBBP-XICAJGIJSA-N 1 1 356.510 4.080 20 30 FIEDMO O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000329194235 1094776444 /nfs/dbraw/zinc/77/64/44/1094776444.db2.gz UOXGWRLJOMWWBP-HXUWFJFHSA-N 1 1 352.482 4.126 20 30 FIEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141903100 1094797315 /nfs/dbraw/zinc/79/73/15/1094797315.db2.gz QJTHTYBHRWBHQL-UHFFFAOYSA-N 1 1 359.267 4.004 20 30 FIEDMO Cc1nn(-c2ccccc2)cc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329325571 1094841086 /nfs/dbraw/zinc/84/10/86/1094841086.db2.gz WGEOMVWLEQQEIJ-HXUWFJFHSA-N 1 1 352.482 4.044 20 30 FIEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+]c1ncc(C2CCCCC2)s1 ZINC000329332989 1094846326 /nfs/dbraw/zinc/84/63/26/1094846326.db2.gz NCVKQRAOVDJKDK-MRXNPFEDSA-N 1 1 373.526 4.406 20 30 FIEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329332989 1094846357 /nfs/dbraw/zinc/84/63/57/1094846357.db2.gz NCVKQRAOVDJKDK-MRXNPFEDSA-N 1 1 373.526 4.406 20 30 FIEDMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329424792 1094899529 /nfs/dbraw/zinc/89/95/29/1094899529.db2.gz GQBZAIBQPQAZAZ-WBVHZDCISA-N 1 1 373.545 4.319 20 30 FIEDMO Cc1c(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cccc1C(=O)N1CCCC1 ZINC000329449424 1094910944 /nfs/dbraw/zinc/91/09/44/1094910944.db2.gz ONNYQICLGJPGEC-KRWDZBQOSA-N 1 1 357.498 4.084 20 30 FIEDMO C[NH+](C)CCCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000501791470 1094925627 /nfs/dbraw/zinc/92/56/27/1094925627.db2.gz QWNWVEMMEYRERP-UHFFFAOYSA-N 1 1 352.444 4.111 20 30 FIEDMO CC[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000329501113 1094942105 /nfs/dbraw/zinc/94/21/05/1094942105.db2.gz YOFVHPSLYKNAPV-NEWSRXKRSA-N 1 1 359.514 4.407 20 30 FIEDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)nc1 ZINC000329680877 1095119140 /nfs/dbraw/zinc/11/91/40/1095119140.db2.gz XZVQHBXCINPKAL-UHFFFAOYSA-N 1 1 356.495 4.224 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000420952840 1095194774 /nfs/dbraw/zinc/19/47/74/1095194774.db2.gz SKUVBJNHSHEKDZ-HNNXBMFYSA-N 1 1 362.399 4.123 20 30 FIEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000421029175 1095244558 /nfs/dbraw/zinc/24/45/58/1095244558.db2.gz XGKDAADVHHECJU-LJQANCHMSA-N 1 1 358.445 4.376 20 30 FIEDMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1 ZINC000329807995 1095272835 /nfs/dbraw/zinc/27/28/35/1095272835.db2.gz LWKMGAZGCICZKH-KCUHQSDYSA-N 1 1 362.489 4.249 20 30 FIEDMO C[C@H](SCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1nc2ccccc2[nH]1 ZINC000329911713 1095313619 /nfs/dbraw/zinc/31/36/19/1095313619.db2.gz NZPATNJAIXIFHU-LSDHHAIUSA-N 1 1 372.538 4.331 20 30 FIEDMO [O-]C(=[NH+][C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330184821 1095407706 /nfs/dbraw/zinc/40/77/06/1095407706.db2.gz QYXWGXQITPOGPN-RTBURBONSA-N 1 1 352.482 4.230 20 30 FIEDMO C[C@@H]1CCSCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000330242796 1095430659 /nfs/dbraw/zinc/43/06/59/1095430659.db2.gz JNKRIVWZSFLRNW-CYBMUJFWSA-N 1 1 363.552 4.304 20 30 FIEDMO Cc1cnccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000330251109 1095435425 /nfs/dbraw/zinc/43/54/25/1095435425.db2.gz NGHSQTMQDBBFOG-KVSKMBFKSA-N 1 1 359.514 4.157 20 30 FIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502464567 1095493457 /nfs/dbraw/zinc/49/34/57/1095493457.db2.gz BEEIPISLLQHDKI-OAHLLOKOSA-N 1 1 353.853 4.227 20 30 FIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502464567 1095493472 /nfs/dbraw/zinc/49/34/72/1095493472.db2.gz BEEIPISLLQHDKI-OAHLLOKOSA-N 1 1 353.853 4.227 20 30 FIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c(Br)c1 ZINC000421346775 1095539800 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FC(F)(F)Oc1ccc(C#CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000440343737 1102217894 /nfs/dbraw/zinc/21/78/94/1102217894.db2.gz NFMLMZVXXQSBNJ-UHFFFAOYSA-N 1 1 366.408 4.452 20 30 FIEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3cccc4ccccc43)CC2)cc1 ZINC000532504588 1102434446 /nfs/dbraw/zinc/43/44/46/1102434446.db2.gz VGLVAJXHKURNMC-QHCPKHFHSA-N 1 1 369.468 4.117 20 30 FIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000532571107 1102493310 /nfs/dbraw/zinc/49/33/10/1102493310.db2.gz DDIIVOIEZJPPOO-DNVCBOLYSA-N 1 1 353.491 4.340 20 30 FIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000532571107 1102493317 /nfs/dbraw/zinc/49/33/17/1102493317.db2.gz DDIIVOIEZJPPOO-DNVCBOLYSA-N 1 1 353.491 4.340 20 30 FIEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000122148492 1102532563 /nfs/dbraw/zinc/53/25/63/1102532563.db2.gz DGABGHCXVNCNLS-UHFFFAOYSA-N 1 1 354.397 4.227 20 30 FIEDMO COCC[N@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)c1 ZINC000550123324 1102554958 /nfs/dbraw/zinc/55/49/58/1102554958.db2.gz VBDDCVRXYCJAHU-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO COCC[N@@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)c1 ZINC000550123324 1102554963 /nfs/dbraw/zinc/55/49/63/1102554963.db2.gz VBDDCVRXYCJAHU-UHFFFAOYSA-N 1 1 365.296 4.031 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000053278442 1102653788 /nfs/dbraw/zinc/65/37/88/1102653788.db2.gz IHAWSXZZZVLOES-MRXNPFEDSA-N 1 1 359.882 4.439 20 30 FIEDMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963268 1102709288 /nfs/dbraw/zinc/70/92/88/1102709288.db2.gz CEYQJDKDUITYDJ-INIZCTEOSA-N 1 1 374.444 4.213 20 30 FIEDMO CC[N@@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000459313065 1102785655 /nfs/dbraw/zinc/78/56/55/1102785655.db2.gz XOLICHOEFBEJFA-RBUKOAKNSA-N 1 1 363.505 4.366 20 30 FIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1Oc1cccnc1 ZINC000130173245 1102832681 /nfs/dbraw/zinc/83/26/81/1102832681.db2.gz MDUIATLFBBEOHG-UHFFFAOYSA-N 1 1 373.456 4.394 20 30 FIEDMO C[C@H]([NH2+]CCC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000541688668 1102934709 /nfs/dbraw/zinc/93/47/09/1102934709.db2.gz ZGGZSTAPNCRTQO-NSHDSACASA-N 1 1 363.259 4.090 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccc(Cl)s1 ZINC000551177428 1102949983 /nfs/dbraw/zinc/94/99/83/1102949983.db2.gz ZSKDMIGSNBAHQB-UHFFFAOYSA-N 1 1 364.898 4.427 20 30 FIEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000475915899 1102983946 /nfs/dbraw/zinc/98/39/46/1102983946.db2.gz MNKTWISNXUIKHV-JOCHJYFZSA-N 1 1 363.505 4.231 20 30 FIEDMO CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000026300942 1103030646 /nfs/dbraw/zinc/03/06/46/1103030646.db2.gz HCBSTCNLVJUCOX-JOCHJYFZSA-N 1 1 367.493 4.016 20 30 FIEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000026300942 1103030656 /nfs/dbraw/zinc/03/06/56/1103030656.db2.gz HCBSTCNLVJUCOX-JOCHJYFZSA-N 1 1 367.493 4.016 20 30 FIEDMO CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026300938 1103030849 /nfs/dbraw/zinc/03/08/49/1103030849.db2.gz HCBSTCNLVJUCOX-QFIPXVFZSA-N 1 1 367.493 4.016 20 30 FIEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026300938 1103030862 /nfs/dbraw/zinc/03/08/62/1103030862.db2.gz HCBSTCNLVJUCOX-QFIPXVFZSA-N 1 1 367.493 4.016 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2)C(C)C)c1 ZINC000105168581 1103120578 /nfs/dbraw/zinc/12/05/78/1103120578.db2.gz QJYOKAASKLJOQH-UHFFFAOYSA-N 1 1 363.505 4.461 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2C)no1 ZINC001211975917 1103137777 /nfs/dbraw/zinc/13/77/77/1103137777.db2.gz UILZFXXZCOXVNF-HKUYNNGSSA-N 1 1 357.498 4.432 20 30 FIEDMO C=CCCCSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000427079005 1103231611 /nfs/dbraw/zinc/23/16/11/1103231611.db2.gz ADKJEUCRHCCUBE-KRWDZBQOSA-N 1 1 360.527 4.347 20 30 FIEDMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000507293478 1103275742 /nfs/dbraw/zinc/27/57/42/1103275742.db2.gz RRNNYPSIYDBVSH-UHFFFAOYSA-N 1 1 361.489 4.008 20 30 FIEDMO N#Cc1cccc(OC2CC[NH+](Cn3c4ccccc4oc3=S)CC2)c1 ZINC000729472793 1103309151 /nfs/dbraw/zinc/30/91/51/1103309151.db2.gz WXCHTMPADXOHSB-UHFFFAOYSA-N 1 1 365.458 4.336 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)c1C#N ZINC000477640932 1103751238 /nfs/dbraw/zinc/75/12/38/1103751238.db2.gz HNLUGRHYGMTIRX-HXUWFJFHSA-N 1 1 368.525 4.295 20 30 FIEDMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC001126497505 1104018737 /nfs/dbraw/zinc/01/87/37/1104018737.db2.gz LOPNRBXBKYFSNX-HXUWFJFHSA-N 1 1 367.880 4.121 20 30 FIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000520173752 1104142898 /nfs/dbraw/zinc/14/28/98/1104142898.db2.gz ZGOBRBHEPYAHPK-UHFFFAOYSA-N 1 1 356.853 4.393 20 30 FIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441242153 1104213417 /nfs/dbraw/zinc/21/34/17/1104213417.db2.gz FHSXSCYLNSHOHR-IAGOWNOFSA-N 1 1 356.897 4.220 20 30 FIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cc(C)cc(F)c3)C2)CC1 ZINC001143580653 1104231687 /nfs/dbraw/zinc/23/16/87/1104231687.db2.gz QYKMBZADOPRGBO-UHFFFAOYSA-N 1 1 360.473 4.135 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)CC3CC3)o2)c1 ZINC000441400100 1104332622 /nfs/dbraw/zinc/33/26/22/1104332622.db2.gz ZGWVIISBONRYHN-UHFFFAOYSA-N 1 1 362.408 4.160 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)CC3CC3)o2)c1 ZINC000441400100 1104332634 /nfs/dbraw/zinc/33/26/34/1104332634.db2.gz ZGWVIISBONRYHN-UHFFFAOYSA-N 1 1 362.408 4.160 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]c2cc3[nH]ccc3cc2C)C1 ZINC000328612652 1104521655 /nfs/dbraw/zinc/52/16/55/1104521655.db2.gz PQGABKXXAIBFMU-MRXNPFEDSA-N 1 1 351.454 4.118 20 30 FIEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328636361 1104522764 /nfs/dbraw/zinc/52/27/64/1104522764.db2.gz AHIJFWOHIFQQMF-LXZJYRNTSA-N 1 1 372.557 4.323 20 30 FIEDMO O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(Cl)c1 ZINC000328647783 1104523794 /nfs/dbraw/zinc/52/37/94/1104523794.db2.gz HSGQCWKNLNXQMZ-HNNXBMFYSA-N 1 1 372.900 4.340 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000328789939 1104569554 /nfs/dbraw/zinc/56/95/54/1104569554.db2.gz QBTALAGYDLUTQC-INIZCTEOSA-N 1 1 372.513 4.291 20 30 FIEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2scnc2C2CC2)C1 ZINC000328934489 1104594125 /nfs/dbraw/zinc/59/41/25/1104594125.db2.gz QBMZHLQNSXJZLO-ZDUSSCGKSA-N 1 1 350.532 4.247 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C[C@@H]1C ZINC000331138468 1104703014 /nfs/dbraw/zinc/70/30/14/1104703014.db2.gz QPMIXRAGSXPLSW-YJBOKZPZSA-N 1 1 374.529 4.140 20 30 FIEDMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000189124079 1104781183 /nfs/dbraw/zinc/78/11/83/1104781183.db2.gz CFNNEACADYBBGG-JTHBVZDNSA-N 1 1 362.517 4.027 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000441473415 1104832616 /nfs/dbraw/zinc/83/26/16/1104832616.db2.gz KBANJKXLOOCMTO-LYBXBRPPSA-N 1 1 372.509 4.005 20 30 FIEDMO C[N@@H+](CCNC(=O)c1ccccc1-c1ccccc1C#N)C1CCCCC1 ZINC000520621749 1105059481 /nfs/dbraw/zinc/05/94/81/1105059481.db2.gz CJHQDCSYOCBMSD-UHFFFAOYSA-N 1 1 361.489 4.220 20 30 FIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCOc4ccc(C#N)cc4)C3)nc2c1 ZINC000536472476 1105153326 /nfs/dbraw/zinc/15/33/26/1105153326.db2.gz MZQTVDMPSPSNKL-SFHVURJKSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCOc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000536472476 1105153331 /nfs/dbraw/zinc/15/33/31/1105153331.db2.gz MZQTVDMPSPSNKL-SFHVURJKSA-N 1 1 360.461 4.001 20 30 FIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCOc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000536472476 1105153339 /nfs/dbraw/zinc/15/33/39/1105153339.db2.gz MZQTVDMPSPSNKL-SFHVURJKSA-N 1 1 360.461 4.001 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000507819556 1105209423 /nfs/dbraw/zinc/20/94/23/1105209423.db2.gz UYOLINNVQOCZQI-UHFFFAOYSA-N 1 1 359.429 4.257 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000451006265 1106886940 /nfs/dbraw/zinc/88/69/40/1106886940.db2.gz RCRAPDWOELXTBX-INIZCTEOSA-N 1 1 356.267 4.095 20 30 FIEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451381960 1107058656 /nfs/dbraw/zinc/05/86/56/1107058656.db2.gz GZMIEDJSEOWXAG-IBGZPJMESA-N 1 1 364.411 4.430 20 30 FIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000530626849 1107206520 /nfs/dbraw/zinc/20/65/20/1107206520.db2.gz JXLMPHCIHUNYFR-QFBILLFUSA-N 1 1 358.445 4.061 20 30 FIEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000530994744 1107456305 /nfs/dbraw/zinc/45/63/05/1107456305.db2.gz DSHFVVHCWOKRKF-UHFFFAOYSA-N 1 1 358.388 4.117 20 30 FIEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000530994744 1107456311 /nfs/dbraw/zinc/45/63/11/1107456311.db2.gz DSHFVVHCWOKRKF-UHFFFAOYSA-N 1 1 358.388 4.117 20 30 FIEDMO N#CC1CCC(C[N@@H+]2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001168134795 1107456876 /nfs/dbraw/zinc/45/68/76/1107456876.db2.gz QURHQIORNWLGQO-UHFFFAOYSA-N 1 1 351.263 4.276 20 30 FIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000609915489 1107625919 /nfs/dbraw/zinc/62/59/19/1107625919.db2.gz ASEPOPBUJZMRMF-QGZVFWFLSA-N 1 1 369.896 4.150 20 30 FIEDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccc(C#N)c2)cc1 ZINC000475564537 1107748429 /nfs/dbraw/zinc/74/84/29/1107748429.db2.gz ULFAQBBLIFVDTD-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO N#CC(CC[N@@H+]1CCC[C@@H]1CN1CCCC1)(c1ccccc1)c1ccccc1 ZINC000444603816 1108012820 /nfs/dbraw/zinc/01/28/20/1108012820.db2.gz XLNCSLBXWPCLIZ-XMMPIXPASA-N 1 1 373.544 4.447 20 30 FIEDMO N#CC(CC[N@H+]1CCC[C@@H]1CN1CCCC1)(c1ccccc1)c1ccccc1 ZINC000444603816 1108012834 /nfs/dbraw/zinc/01/28/34/1108012834.db2.gz XLNCSLBXWPCLIZ-XMMPIXPASA-N 1 1 373.544 4.447 20 30 FIEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000444688539 1108090171 /nfs/dbraw/zinc/09/01/71/1108090171.db2.gz ZPSGXIWDXGLTAP-KRWDZBQOSA-N 1 1 352.425 4.381 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000444688539 1108090185 /nfs/dbraw/zinc/09/01/85/1108090185.db2.gz ZPSGXIWDXGLTAP-KRWDZBQOSA-N 1 1 352.425 4.381 20 30 FIEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)c(Cl)c1 ZINC000444771544 1108167152 /nfs/dbraw/zinc/16/71/52/1108167152.db2.gz QBIWSCQPCJNAMZ-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccccc2OC(F)F)CCCC1(C)C ZINC000444776095 1108170595 /nfs/dbraw/zinc/17/05/95/1108170595.db2.gz AYTMLTUREPYXLU-INIZCTEOSA-N 1 1 352.425 4.293 20 30 FIEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1(C)C ZINC000444794846 1108190005 /nfs/dbraw/zinc/19/00/05/1108190005.db2.gz WMZZPOZXMZSJGT-MRXNPFEDSA-N 1 1 356.426 4.212 20 30 FIEDMO N#CC1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453209383 1108279580 /nfs/dbraw/zinc/27/95/80/1108279580.db2.gz IEVATKAVPZCQGQ-WVGDURHJSA-N 1 1 351.538 4.349 20 30 FIEDMO C[C@H](c1ccco1)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000088549324 1108320117 /nfs/dbraw/zinc/32/01/17/1108320117.db2.gz KMZRWVRXTUGVMR-CYBMUJFWSA-N 1 1 369.490 4.256 20 30 FIEDMO COc1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)ccc1C#N ZINC000440614952 1108327053 /nfs/dbraw/zinc/32/70/53/1108327053.db2.gz GSUGATGMTMWBIB-UHFFFAOYSA-N 1 1 374.282 4.003 20 30 FIEDMO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)ccc1C#N)c1ccccc1Cl ZINC000523754965 1108501225 /nfs/dbraw/zinc/50/12/25/1108501225.db2.gz IBVSQRALLVDLRV-CQSZACIVSA-N 1 1 368.790 4.340 20 30 FIEDMO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1cccc(C#N)c1 ZINC000532159168 1108683937 /nfs/dbraw/zinc/68/39/37/1108683937.db2.gz IMVGQMJQEJOMON-HSZRJFAPSA-N 1 1 361.489 4.038 20 30 FIEDMO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)Cc1cccc(C#N)c1 ZINC000532159168 1108683951 /nfs/dbraw/zinc/68/39/51/1108683951.db2.gz IMVGQMJQEJOMON-HSZRJFAPSA-N 1 1 361.489 4.038 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000524365471 1108976192 /nfs/dbraw/zinc/97/61/92/1108976192.db2.gz IQXOPNDXNWGIOU-FPOVZHCZSA-N 1 1 367.489 4.001 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000026124372 1109242468 /nfs/dbraw/zinc/24/24/68/1109242468.db2.gz SMHMRPRATSKCOL-UHFFFAOYSA-N 1 1 359.882 4.266 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cn3ccccc3c2C#N)C[C@H](C)O1 ZINC000446622288 1109284610 /nfs/dbraw/zinc/28/46/10/1109284610.db2.gz DYSVNLCLDZGQLR-HDICACEKSA-N 1 1 374.488 4.032 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2cn3ccccc3c2C#N)C[C@H](C)O1 ZINC000446622288 1109284616 /nfs/dbraw/zinc/28/46/16/1109284616.db2.gz DYSVNLCLDZGQLR-HDICACEKSA-N 1 1 374.488 4.032 20 30 FIEDMO CCC[N@@H+](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000525454355 1109390103 /nfs/dbraw/zinc/39/01/03/1109390103.db2.gz XNTBDTNUSHYMDM-GOSISDBHSA-N 1 1 355.869 4.276 20 30 FIEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000447084333 1109432058 /nfs/dbraw/zinc/43/20/58/1109432058.db2.gz YOLXOTGQUCGMSI-SFHVURJKSA-N 1 1 358.489 4.330 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000525634415 1109462607 /nfs/dbraw/zinc/46/26/07/1109462607.db2.gz SKDMXUBGPFYISO-HXUWFJFHSA-N 1 1 350.462 4.400 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000447320935 1109512852 /nfs/dbraw/zinc/51/28/52/1109512852.db2.gz INLFKOKDNFBCQT-NVGCLXPQSA-N 1 1 356.297 4.087 20 30 FIEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC(Cc4[nH+]ccn4C)CC3)c2c1 ZINC000447687711 1109620643 /nfs/dbraw/zinc/62/06/43/1109620643.db2.gz JXULXYMEAROZRV-UHFFFAOYSA-N 1 1 373.504 4.422 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447981759 1109690284 /nfs/dbraw/zinc/69/02/84/1109690284.db2.gz GPVNSKUOIMLDIE-QAPCUYQASA-N 1 1 374.554 4.180 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447981423 1109690366 /nfs/dbraw/zinc/69/03/66/1109690366.db2.gz YQSOHPJORHCXPH-YJBOKZPZSA-N 1 1 374.554 4.323 20 30 FIEDMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2cccs2)cc1 ZINC000527118037 1109699741 /nfs/dbraw/zinc/69/97/41/1109699741.db2.gz XICSQMWNLZRDDN-HXUWFJFHSA-N 1 1 367.518 4.113 20 30 FIEDMO COc1cccc([C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC2(C)C)c1 ZINC000528625213 1110050384 /nfs/dbraw/zinc/05/03/84/1110050384.db2.gz OMETURXWGFYECU-HXUWFJFHSA-N 1 1 356.510 4.221 20 30 FIEDMO N#Cc1cc(Br)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528655983 1110064492 /nfs/dbraw/zinc/06/44/92/1110064492.db2.gz DOHBZPCVNARKPW-GOSISDBHSA-N 1 1 356.267 4.347 20 30 FIEDMO C=CCOc1cccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1 ZINC000449467395 1110086763 /nfs/dbraw/zinc/08/67/63/1110086763.db2.gz ATSOEMZKGWVQFB-UHFFFAOYSA-N 1 1 352.482 4.103 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528739124 1110098148 /nfs/dbraw/zinc/09/81/48/1110098148.db2.gz YCAQRMVWGKRWKE-UHFFFAOYSA-N 1 1 366.468 4.451 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528739124 1110098154 /nfs/dbraw/zinc/09/81/54/1110098154.db2.gz YCAQRMVWGKRWKE-UHFFFAOYSA-N 1 1 366.468 4.451 20 30 FIEDMO CCCc1ncc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)o1 ZINC000449610815 1110122881 /nfs/dbraw/zinc/12/28/81/1110122881.db2.gz HXCMVWKQAYLVQI-UHFFFAOYSA-N 1 1 361.445 4.368 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323887 1110144261 /nfs/dbraw/zinc/14/42/61/1110144261.db2.gz DYQCZBJFSLSGKZ-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323887 1110144263 /nfs/dbraw/zinc/14/42/63/1110144263.db2.gz DYQCZBJFSLSGKZ-LBPRGKRZSA-N 1 1 362.260 4.324 20 30 FIEDMO C=CCOc1c(Cl)cc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000623404165 1110313208 /nfs/dbraw/zinc/31/32/08/1110313208.db2.gz RZZSKRYNGDWQIV-INIZCTEOSA-N 1 1 366.933 4.123 20 30 FIEDMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000538541511 1111178047 /nfs/dbraw/zinc/17/80/47/1111178047.db2.gz WVKQXTXARMWUJE-KRWDZBQOSA-N 1 1 366.484 4.008 20 30 FIEDMO N#Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000461580724 1111278466 /nfs/dbraw/zinc/27/84/66/1111278466.db2.gz QKNPDOBPVOOOSX-UHFFFAOYSA-N 1 1 373.500 4.219 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC(=O)C2(C#N)CCC2)cc1)C[C@H]1CCCCO1 ZINC000539323714 1111521777 /nfs/dbraw/zinc/52/17/77/1111521777.db2.gz NMXKKHSULFIXKL-HXUWFJFHSA-N 1 1 369.509 4.098 20 30 FIEDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(N2CCCC2)c1 ZINC000539379866 1111544360 /nfs/dbraw/zinc/54/43/60/1111544360.db2.gz UDZMZRKAIFPLAN-MRXNPFEDSA-N 1 1 373.460 4.059 20 30 FIEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000553451959 1111977617 /nfs/dbraw/zinc/97/76/17/1111977617.db2.gz BQOXLOGAUOEQTQ-OAQYLSRUSA-N 1 1 372.557 4.166 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Br)c2OC(F)F)s1 ZINC000554183182 1112236530 /nfs/dbraw/zinc/23/65/30/1112236530.db2.gz ABJUCAKGRJXRMM-UHFFFAOYSA-N 1 1 373.222 4.273 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000554188400 1112238209 /nfs/dbraw/zinc/23/82/09/1112238209.db2.gz OWKUDEOORGKZJR-UHFFFAOYSA-N 1 1 371.481 4.220 20 30 FIEDMO COc1ccc2ccccc2c1-c1cc(C[NH2+]Cc2cc(C#N)n(C)c2)on1 ZINC000480311509 1112380437 /nfs/dbraw/zinc/38/04/37/1112380437.db2.gz SJURBQSYKUYAOR-UHFFFAOYSA-N 1 1 372.428 4.003 20 30 FIEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732741 1112470541 /nfs/dbraw/zinc/47/05/41/1112470541.db2.gz OLWCEDZUEXOKDI-IRXDYDNUSA-N 1 1 362.811 4.051 20 30 FIEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000554732741 1112470544 /nfs/dbraw/zinc/47/05/44/1112470544.db2.gz OLWCEDZUEXOKDI-IRXDYDNUSA-N 1 1 362.811 4.051 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)C1(F)F ZINC000600182578 1112918341 /nfs/dbraw/zinc/91/83/41/1112918341.db2.gz FZLRIZNRWWNQPN-IYBDPMFKSA-N 1 1 358.436 4.187 20 30 FIEDMO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(SC)cc1OC ZINC000600212851 1112925627 /nfs/dbraw/zinc/92/56/27/1112925627.db2.gz KJVDYKYLUFCWGJ-UHFFFAOYSA-N 1 1 368.502 4.050 20 30 FIEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(SC)cc1OC ZINC000600212851 1112925630 /nfs/dbraw/zinc/92/56/30/1112925630.db2.gz KJVDYKYLUFCWGJ-UHFFFAOYSA-N 1 1 368.502 4.050 20 30 FIEDMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(C#N)CC2)cc1 ZINC000555708961 1112971734 /nfs/dbraw/zinc/97/17/34/1112971734.db2.gz YAECAUIZXBCKHA-UHFFFAOYSA-N 1 1 356.473 4.300 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1)c1ccc(F)c(F)c1 ZINC000481617899 1112997512 /nfs/dbraw/zinc/99/75/12/1112997512.db2.gz ANNHWNCHBCGLFC-BZNIZROVSA-N 1 1 365.449 4.272 20 30 FIEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000555838572 1113021074 /nfs/dbraw/zinc/02/10/74/1113021074.db2.gz UICPQUFWLKTBIQ-OAQYLSRUSA-N 1 1 371.488 4.157 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1OC ZINC000482454088 1113265461 /nfs/dbraw/zinc/26/54/61/1113265461.db2.gz XRKOLXWZKLSNOC-HSZRJFAPSA-N 1 1 365.473 4.282 20 30 FIEDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000159925806 1113267603 /nfs/dbraw/zinc/26/76/03/1113267603.db2.gz GSWRPFCLZSPOIQ-LEWJYISDSA-N 1 1 367.537 4.043 20 30 FIEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC[C@H]21 ZINC000482733165 1113344242 /nfs/dbraw/zinc/34/42/42/1113344242.db2.gz LEGNQYACYHMEFJ-FYYLOGMGSA-N 1 1 373.500 4.034 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483108879 1113444618 /nfs/dbraw/zinc/44/46/18/1113444618.db2.gz IHGBRIVIGNBTKW-HOTGVXAUSA-N 1 1 359.539 4.387 20 30 FIEDMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160740103 1113444726 /nfs/dbraw/zinc/44/47/26/1113444726.db2.gz NPJGKWRVXNHJPN-NRFANRHFSA-N 1 1 370.541 4.185 20 30 FIEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)n(C)c2)cc(C)c1OCC(F)(F)F ZINC000483277920 1113479055 /nfs/dbraw/zinc/47/90/55/1113479055.db2.gz GSNGVZJWXZTSBS-UHFFFAOYSA-N 1 1 365.399 4.087 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486460294 1113570538 /nfs/dbraw/zinc/57/05/38/1113570538.db2.gz MJOMYMMXKDYTFK-XMSQKQJNSA-N 1 1 364.493 4.420 20 30 FIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(C#N)s2)c1 ZINC000486774859 1113639972 /nfs/dbraw/zinc/63/99/72/1113639972.db2.gz OAQGRGXDPCLXSA-UHFFFAOYSA-N 1 1 350.447 4.240 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000487880908 1113814979 /nfs/dbraw/zinc/81/49/79/1113814979.db2.gz SJDMLSNDFAQWFR-UHFFFAOYSA-N 1 1 356.432 4.100 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488012575 1113840445 /nfs/dbraw/zinc/84/04/45/1113840445.db2.gz HZQXSODWDCKFED-ZWKOTPCHSA-N 1 1 367.896 4.220 20 30 FIEDMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488012575 1113840447 /nfs/dbraw/zinc/84/04/47/1113840447.db2.gz HZQXSODWDCKFED-ZWKOTPCHSA-N 1 1 367.896 4.220 20 30 FIEDMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000487995474 1113840592 /nfs/dbraw/zinc/84/05/92/1113840592.db2.gz AHCVCKGACZZGNL-UHFFFAOYSA-N 1 1 373.859 4.166 20 30 FIEDMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000487995474 1113840595 /nfs/dbraw/zinc/84/05/95/1113840595.db2.gz AHCVCKGACZZGNL-UHFFFAOYSA-N 1 1 373.859 4.166 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1C ZINC000488413603 1113926803 /nfs/dbraw/zinc/92/68/03/1113926803.db2.gz WXKSDOBGUGSQMW-LJQANCHMSA-N 1 1 355.526 4.451 20 30 FIEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(Cl)cc1 ZINC000488781592 1113994861 /nfs/dbraw/zinc/99/48/61/1113994861.db2.gz YKXSDXJXVVYLSW-MRXNPFEDSA-N 1 1 366.795 4.290 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489747474 1114167999 /nfs/dbraw/zinc/16/79/99/1114167999.db2.gz XLMYQLVGEWTMHT-XJKSGUPXSA-N 1 1 362.399 4.251 20 30 FIEDMO C=CCC[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000489773337 1114170046 /nfs/dbraw/zinc/17/00/46/1114170046.db2.gz UTUUCJJIHNSJNZ-NQIIRXRSSA-N 1 1 355.526 4.210 20 30 FIEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000490041212 1114204081 /nfs/dbraw/zinc/20/40/81/1114204081.db2.gz GPCVHHUSIKZURN-UHFFFAOYSA-N 1 1 364.489 4.443 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490030706 1114204722 /nfs/dbraw/zinc/20/47/22/1114204722.db2.gz HHFSWEYZJKNWSK-INIZCTEOSA-N 1 1 353.441 4.245 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490030706 1114204727 /nfs/dbraw/zinc/20/47/27/1114204727.db2.gz HHFSWEYZJKNWSK-INIZCTEOSA-N 1 1 353.441 4.245 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c(C#N)c1C ZINC000490035915 1114206216 /nfs/dbraw/zinc/20/62/16/1114206216.db2.gz DLVKCRDFIMPGBY-URLQWDBASA-N 1 1 365.477 4.282 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c(C#N)c1C ZINC000490035915 1114206219 /nfs/dbraw/zinc/20/62/19/1114206219.db2.gz DLVKCRDFIMPGBY-URLQWDBASA-N 1 1 365.477 4.282 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490548641 1114299248 /nfs/dbraw/zinc/29/92/48/1114299248.db2.gz UCWQZOVHUMBWRV-QHCPKHFHSA-N 1 1 356.473 4.122 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000491112907 1114370825 /nfs/dbraw/zinc/37/08/25/1114370825.db2.gz QLGZWPIIADLYHE-JOCHJYFZSA-N 1 1 374.463 4.305 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491095231 1114372582 /nfs/dbraw/zinc/37/25/82/1114372582.db2.gz YESHUFKGGMXRPS-NRFANRHFSA-N 1 1 360.436 4.435 20 30 FIEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000129540533 1114384676 /nfs/dbraw/zinc/38/46/76/1114384676.db2.gz HNLCHJLZLPAOOD-UHFFFAOYSA-N 1 1 352.463 4.043 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000571252068 1114450365 /nfs/dbraw/zinc/45/03/65/1114450365.db2.gz WTGWHNUAWXVYTO-IAGOWNOFSA-N 1 1 350.384 4.111 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000571252068 1114450367 /nfs/dbraw/zinc/45/03/67/1114450367.db2.gz WTGWHNUAWXVYTO-IAGOWNOFSA-N 1 1 350.384 4.111 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590622044 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ZINC000540345811 1118004453 /nfs/dbraw/zinc/00/44/53/1118004453.db2.gz RTNPPXNLUOYJCS-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cccc(C#N)c4F)CC3)c2c1 ZINC000540345811 1118004459 /nfs/dbraw/zinc/00/44/59/1118004459.db2.gz RTNPPXNLUOYJCS-UHFFFAOYSA-N 1 1 361.420 4.477 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000540416284 1118042068 /nfs/dbraw/zinc/04/20/68/1118042068.db2.gz KCSAINICLVMWHC-QFIPXVFZSA-N 1 1 358.441 4.477 20 30 FIEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463429830 1118151312 /nfs/dbraw/zinc/15/13/12/1118151312.db2.gz LDLXRVHCOSJJNK-HIFRSBDPSA-N 1 1 373.806 4.203 20 30 FIEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463429830 1118151313 /nfs/dbraw/zinc/15/13/13/1118151313.db2.gz LDLXRVHCOSJJNK-HIFRSBDPSA-N 1 1 373.806 4.203 20 30 FIEDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463450912 1118160878 /nfs/dbraw/zinc/16/08/78/1118160878.db2.gz MTNIDYNWAQBAFX-HIFRSBDPSA-N 1 1 373.806 4.203 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463450912 1118160882 /nfs/dbraw/zinc/16/08/82/1118160882.db2.gz MTNIDYNWAQBAFX-HIFRSBDPSA-N 1 1 373.806 4.203 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541021419 1118350708 /nfs/dbraw/zinc/35/07/08/1118350708.db2.gz OLVBJFZCHPCTGM-SFHVURJKSA-N 1 1 361.489 4.230 20 30 FIEDMO Cc1cc(C(=O)C[NH+]2CCC(CC#N)CC2)c(C)n1CCc1ccccc1 ZINC000541020751 1118356586 /nfs/dbraw/zinc/35/65/86/1118356586.db2.gz PDYOSUFXKHLYLM-UHFFFAOYSA-N 1 1 363.505 4.156 20 30 FIEDMO Cc1ccnc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000541280410 1118450878 /nfs/dbraw/zinc/45/08/78/1118450878.db2.gz NPZNPRROKJVQNF-UHFFFAOYSA-N 1 1 374.410 4.357 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2CC=CCC2)c1C#N ZINC000541314738 1118470913 /nfs/dbraw/zinc/47/09/13/1118470913.db2.gz LNVPGTVTPLAZFC-SFHVURJKSA-N 1 1 368.525 4.318 20 30 FIEDMO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464332385 1118529866 /nfs/dbraw/zinc/52/98/66/1118529866.db2.gz KRVPXLBHFJMDBW-HXUWFJFHSA-N 1 1 373.500 4.220 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CC2)sc2c1CCCCC2 ZINC000609133598 1118604364 /nfs/dbraw/zinc/60/43/64/1118604364.db2.gz LCKDKTQRSOOZOP-KRWDZBQOSA-N 1 1 357.523 4.092 20 30 FIEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000464634051 1118624736 /nfs/dbraw/zinc/62/47/36/1118624736.db2.gz ZWYKIDDPVCWDTC-GFCCVEGCSA-N 1 1 362.424 4.270 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000464733562 1118668144 /nfs/dbraw/zinc/66/81/44/1118668144.db2.gz JQAGTUJSUWOXLJ-FOIQADDNSA-N 1 1 351.425 4.109 20 30 FIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000464774128 1118689058 /nfs/dbraw/zinc/68/90/58/1118689058.db2.gz JLQARIJWWKTWIE-REWPJTCUSA-N 1 1 364.489 4.142 20 30 FIEDMO Cc1cccc([C@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000464781888 1118692744 /nfs/dbraw/zinc/69/27/44/1118692744.db2.gz WOWPWINSMNAQTH-GOSISDBHSA-N 1 1 353.491 4.402 20 30 FIEDMO Cc1cccc([C@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)c1C ZINC000464781888 1118692747 /nfs/dbraw/zinc/69/27/47/1118692747.db2.gz WOWPWINSMNAQTH-GOSISDBHSA-N 1 1 353.491 4.402 20 30 FIEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000464786114 1118694281 /nfs/dbraw/zinc/69/42/81/1118694281.db2.gz KWRBKJDDXVOMFQ-NRFANRHFSA-N 1 1 367.468 4.225 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821540 1118705784 /nfs/dbraw/zinc/70/57/84/1118705784.db2.gz IVCWAFKBPQGCHW-PMACEKPBSA-N 1 1 367.880 4.440 20 30 FIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821540 1118705787 /nfs/dbraw/zinc/70/57/87/1118705787.db2.gz IVCWAFKBPQGCHW-PMACEKPBSA-N 1 1 367.880 4.440 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000464834534 1118708941 /nfs/dbraw/zinc/70/89/41/1118708941.db2.gz HTWAAIUAXFDBSE-SJLPKXTDSA-N 1 1 357.498 4.046 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000464834534 1118708943 /nfs/dbraw/zinc/70/89/43/1118708943.db2.gz HTWAAIUAXFDBSE-SJLPKXTDSA-N 1 1 357.498 4.046 20 30 FIEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)ccc1F ZINC000443655086 1118746061 /nfs/dbraw/zinc/74/60/61/1118746061.db2.gz PDJFCIOHBONFOK-CQSZACIVSA-N 1 1 353.372 4.357 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000491330026 1118749177 /nfs/dbraw/zinc/74/91/77/1118749177.db2.gz PEYDLOFIUVJONC-UHFFFAOYSA-N 1 1 352.478 4.136 20 30 FIEDMO C[C@@H]1c2ccccc2C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000542132942 1118808984 /nfs/dbraw/zinc/80/89/84/1118808984.db2.gz LGIQXLUNXGLUQT-CQSZACIVSA-N 1 1 365.502 4.404 20 30 FIEDMO CC(C)CCN(CCC#N)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542360069 1118910381 /nfs/dbraw/zinc/91/03/81/1118910381.db2.gz RITOWKIKSZGZEH-IBGZPJMESA-N 1 1 370.541 4.282 20 30 FIEDMO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542360071 1118910506 /nfs/dbraw/zinc/91/05/06/1118910506.db2.gz RITOWKIKSZGZEH-LJQANCHMSA-N 1 1 370.541 4.282 20 30 FIEDMO CCOc1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000492419175 1119086527 /nfs/dbraw/zinc/08/65/27/1119086527.db2.gz UWDRJTBYYWYKSJ-OAHLLOKOSA-N 1 1 353.422 4.448 20 30 FIEDMO C[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101326 1119565941 /nfs/dbraw/zinc/56/59/41/1119565941.db2.gz LFFCNADOJMSPHL-UYAOXDASSA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101326 1119565944 /nfs/dbraw/zinc/56/59/44/1119565944.db2.gz LFFCNADOJMSPHL-UYAOXDASSA-N 1 1 355.526 4.112 20 30 FIEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185634436 1119677690 /nfs/dbraw/zinc/67/76/90/1119677690.db2.gz YJAWRTWPQTYWIO-OAHLLOKOSA-N 1 1 357.292 4.372 20 30 FIEDMO C=C(C)[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000186448015 1119730928 /nfs/dbraw/zinc/73/09/28/1119730928.db2.gz GGNIYMNFLSLQMW-OAQYLSRUSA-N 1 1 357.448 4.231 20 30 FIEDMO C=CCC1(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)CCC1 ZINC000190408713 1119937019 /nfs/dbraw/zinc/93/70/19/1119937019.db2.gz WRIVGGRNUUJNHL-UHFFFAOYSA-N 1 1 369.509 4.104 20 30 FIEDMO CCc1cc(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)on1 ZINC001203224672 1119996374 /nfs/dbraw/zinc/99/63/74/1119996374.db2.gz AWBQNQZPVDDELD-UHFFFAOYSA-N 1 1 374.282 4.057 20 30 FIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435680 1120809332 /nfs/dbraw/zinc/80/93/32/1120809332.db2.gz ZDABGQVBKLPEGA-FIKGOQFSSA-N 1 1 351.469 4.259 20 30 FIEDMO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435680 1120809333 /nfs/dbraw/zinc/80/93/33/1120809333.db2.gz ZDABGQVBKLPEGA-FIKGOQFSSA-N 1 1 351.469 4.259 20 30 FIEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCCCCC1 ZINC000915228289 1120884157 /nfs/dbraw/zinc/88/41/57/1120884157.db2.gz ZAGJXWJDJFMCJZ-JOCHJYFZSA-N 1 1 356.558 4.027 20 30 FIEDMO C#Cc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000915339344 1120925691 /nfs/dbraw/zinc/92/56/91/1120925691.db2.gz LWWWRFKLSCNXPL-SFHVURJKSA-N 1 1 361.489 4.222 20 30 FIEDMO C#Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000915358443 1120932492 /nfs/dbraw/zinc/93/24/92/1120932492.db2.gz HSRNXMPOXMCMOY-SFHVURJKSA-N 1 1 361.489 4.364 20 30 FIEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1-c1ccccn1 ZINC000153697738 1121028506 /nfs/dbraw/zinc/02/85/06/1121028506.db2.gz YZXFCGGSOWSQTR-SFHVURJKSA-N 1 1 369.538 4.274 20 30 FIEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCCC2)nc1-c1ccccn1 ZINC000153697738 1121028515 /nfs/dbraw/zinc/02/85/15/1121028515.db2.gz YZXFCGGSOWSQTR-SFHVURJKSA-N 1 1 369.538 4.274 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC001168563456 1121049493 /nfs/dbraw/zinc/04/94/93/1121049493.db2.gz KVFWPTSEMWUNHD-LLVKDONJSA-N 1 1 350.340 4.158 20 30 FIEDMO C=CCN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000763092087 1121113577 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4.479 20 30 FIEDMO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1Cl ZINC000542687643 1122281335 /nfs/dbraw/zinc/28/13/35/1122281335.db2.gz WOGSOCVVBOCSBH-UHFFFAOYSA-N 1 1 374.897 4.296 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000553850098 1122302586 /nfs/dbraw/zinc/30/25/86/1122302586.db2.gz LXHRZJOTZWWYAW-UHFFFAOYSA-N 1 1 363.505 4.458 20 30 FIEDMO CCOc1ccc(O)c(/C=N/C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000917559209 1122353130 /nfs/dbraw/zinc/35/31/30/1122353130.db2.gz IFSQUZCJWXLLDS-ZMOGYAJESA-N 1 1 374.431 4.153 20 30 FIEDMO C=C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000129348289 1122572371 /nfs/dbraw/zinc/57/23/71/1122572371.db2.gz FIXGJSYWSMFUCU-FGZHOGPDSA-N 1 1 362.517 4.027 20 30 FIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918738622 1122768504 /nfs/dbraw/zinc/76/85/04/1122768504.db2.gz DTIJVWHQEGLQRS-LJQANCHMSA-N 1 1 365.395 4.436 20 30 FIEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 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CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C4(C#N)CC4)cc3)c2C1 ZINC001212254162 1123629683 /nfs/dbraw/zinc/62/96/83/1123629683.db2.gz XMBFCBCLRFRSDC-UHFFFAOYSA-N 1 1 352.507 4.397 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(CC#N)C2CCCC2)c1 ZINC000078207706 1123745147 /nfs/dbraw/zinc/74/51/47/1123745147.db2.gz HFDMTZQBWOUEJU-UHFFFAOYSA-N 1 1 361.489 4.227 20 30 FIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000610003020 1123914329 /nfs/dbraw/zinc/91/43/29/1123914329.db2.gz XXUHPQHPFXMEAW-WOJBJXKFSA-N 1 1 361.489 4.120 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000610132299 1123949627 /nfs/dbraw/zinc/94/96/27/1123949627.db2.gz QDAMOQYMOYVYMX-SFHVURJKSA-N 1 1 356.853 4.436 20 30 FIEDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000179636382 1124022806 /nfs/dbraw/zinc/02/28/06/1124022806.db2.gz WILXECNOBGHIJX-GTNSWQLSSA-N 1 1 361.392 4.114 20 30 FIEDMO N#CCCCOc1cccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000237825232 1124118497 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Cc1ccc(N2CCC(Nc3ccc(C(F)(F)F)cc3C#N)CC2)[nH+]c1 ZINC000301644549 1124249286 /nfs/dbraw/zinc/24/92/86/1124249286.db2.gz OTTXIMAZQWKKRL-UHFFFAOYSA-N 1 1 360.383 4.361 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)c(NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000301693775 1124252665 /nfs/dbraw/zinc/25/26/65/1124252665.db2.gz ACVBZVITQJGOHM-UHFFFAOYSA-N 1 1 370.378 4.476 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000302096305 1124284449 /nfs/dbraw/zinc/28/44/49/1124284449.db2.gz JFMWMCSMXHEZCV-MRXNPFEDSA-N 1 1 353.491 4.146 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000302111401 1124285102 /nfs/dbraw/zinc/28/51/02/1124285102.db2.gz PRXXTHZVABSPAU-PKTZIBPZSA-N 1 1 373.500 4.252 20 30 FIEDMO CC(=O)c1ccc(C#N)c(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000302128958 1124286107 /nfs/dbraw/zinc/28/61/07/1124286107.db2.gz XJTGWXWVSXIDTE-KRWDZBQOSA-N 1 1 353.510 4.242 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000302134343 1124287154 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N#Cc1ccc(-c2nnc(C[N@H+](C3CC3)[C@H]3CCc4ccccc43)o2)cc1 ZINC000072580435 1124559443 /nfs/dbraw/zinc/55/94/43/1124559443.db2.gz ITYQSFAPPDSYRG-FQEVSTJZSA-N 1 1 356.429 4.260 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@@H+](C3CC3)[C@H]3CCc4ccccc43)o2)cc1 ZINC000072580435 1124559449 /nfs/dbraw/zinc/55/94/49/1124559449.db2.gz ITYQSFAPPDSYRG-FQEVSTJZSA-N 1 1 356.429 4.260 20 30 FIEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000247201112 1124598440 /nfs/dbraw/zinc/59/84/40/1124598440.db2.gz TUMUCBPGRBXJJA-IAGOWNOFSA-N 1 1 359.539 4.389 20 30 FIEDMO N#Cc1c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn2ccccc12 ZINC000073571052 1124720981 /nfs/dbraw/zinc/72/09/81/1124720981.db2.gz SKJBSJKLBARQQO-INIZCTEOSA-N 1 1 356.429 4.332 20 30 FIEDMO COC(=O)c1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)oc1C ZINC000181424232 1124917551 /nfs/dbraw/zinc/91/75/51/1124917551.db2.gz ZDKCEJQXLLMWLS-UHFFFAOYSA-N 1 1 360.413 4.203 20 30 FIEDMO C#CCCOc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1 ZINC000733900827 1125050848 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4.467 20 30 FIEDMO COc1ccc(-c2nc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)cs2)cc1 ZINC000618741743 1125258986 /nfs/dbraw/zinc/25/89/86/1125258986.db2.gz IAFIAIZXMMEQDG-HXUWFJFHSA-N 1 1 361.470 4.467 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000618758532 1125271157 /nfs/dbraw/zinc/27/11/57/1125271157.db2.gz MHFCEXIGYHCCTN-GOSISDBHSA-N 1 1 353.441 4.065 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618789596 1125279595 /nfs/dbraw/zinc/27/95/95/1125279595.db2.gz LKZLABJQQZMZIC-JOCHJYFZSA-N 1 1 361.489 4.207 20 30 FIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1(C)C ZINC000093605154 1125453907 /nfs/dbraw/zinc/45/39/07/1125453907.db2.gz AJBHLZIJEZIKSJ-UXHICEINSA-N 1 1 366.509 4.099 20 30 FIEDMO N#Cc1cccc(Oc2ccc(NC(=O)Cn3c[nH+]c4c3CCCC4)cc2)c1 ZINC000541786658 567833468 /nfs/dbraw/zinc/83/34/68/567833468.db2.gz AQYMGSTUGHEVAN-UHFFFAOYSA-N 1 1 372.428 4.065 20 30 FIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602734059 568025649 /nfs/dbraw/zinc/02/56/49/568025649.db2.gz ZWYQPQGLQDGRPZ-IFMALSPDSA-N 1 1 350.462 4.067 20 30 FIEDMO CC[C@H](C[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000481769991 568119591 /nfs/dbraw/zinc/11/95/91/568119591.db2.gz VYMNHEZMCFYSDJ-QGZVFWFLSA-N 1 1 353.466 4.222 20 30 FIEDMO CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nnc2n1CCCCC2 ZINC000481916501 568182632 /nfs/dbraw/zinc/18/26/32/568182632.db2.gz DUTFBJHPZZMIMR-VQTJNVASSA-N 1 1 363.509 4.385 20 30 FIEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000522790609 568200660 /nfs/dbraw/zinc/20/06/60/568200660.db2.gz GTEDARXSQUDNKO-IBGZPJMESA-N 1 1 356.514 4.264 20 30 FIEDMO Cc1cc(C)c(C#N)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000481990086 568215890 /nfs/dbraw/zinc/21/58/90/568215890.db2.gz IBHGLCUEJNUNDQ-UNMCSNQZSA-N 1 1 360.505 4.061 20 30 FIEDMO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000541916146 568233845 /nfs/dbraw/zinc/23/38/45/568233845.db2.gz BYYXZLPWJURQGQ-UGSOOPFHSA-N 1 1 359.267 4.095 20 30 FIEDMO COc1cc(-c2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cs2)ccc1O ZINC000436685691 568280049 /nfs/dbraw/zinc/28/00/49/568280049.db2.gz MFWGRJSXOUCIEI-ZDUSSCGKSA-N 1 1 365.458 4.247 20 30 FIEDMO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000569046897 568283367 /nfs/dbraw/zinc/28/33/67/568283367.db2.gz LMBPEPMXRRGPGF-UHFFFAOYSA-N 1 1 364.489 4.335 20 30 FIEDMO COc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1OCCCC#N ZINC000093666159 1125487063 /nfs/dbraw/zinc/48/70/63/1125487063.db2.gz XYDFDXOHJQALCB-FQEVSTJZSA-N 1 1 372.509 4.301 20 30 FIEDMO COc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)cc1OCCCC#N ZINC000093769246 1125515488 /nfs/dbraw/zinc/51/54/88/1125515488.db2.gz QTMAPHRAXGGYQS-UHFFFAOYSA-N 1 1 372.509 4.303 20 30 FIEDMO COc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)cc1OCCCC#N ZINC000093769246 1125515491 /nfs/dbraw/zinc/51/54/91/1125515491.db2.gz QTMAPHRAXGGYQS-UHFFFAOYSA-N 1 1 372.509 4.303 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763556931 1125565065 /nfs/dbraw/zinc/56/50/65/1125565065.db2.gz MGNNNBIVQFIJBC-FCHUYYIVSA-N 1 1 374.488 4.359 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000619532155 1125608867 /nfs/dbraw/zinc/60/88/67/1125608867.db2.gz FIEOVWRPSIAOFX-UHFFFAOYSA-N 1 1 364.880 4.456 20 30 FIEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000619532155 1125608871 /nfs/dbraw/zinc/60/88/71/1125608871.db2.gz FIEOVWRPSIAOFX-UHFFFAOYSA-N 1 1 364.880 4.456 20 30 FIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000152951220 1125700644 /nfs/dbraw/zinc/70/06/44/1125700644.db2.gz AEHNMZPVCZXSEI-ZDUSSCGKSA-N 1 1 355.295 4.279 20 30 FIEDMO C[NH+](C)C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619823379 1125709860 /nfs/dbraw/zinc/70/98/60/1125709860.db2.gz YWXBMJHHGWDRIY-LEWJYISDSA-N 1 1 353.897 4.482 20 30 FIEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000619810426 1125712401 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4.102 20 30 FIEDMO C=CCCC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209163265 1080462342 /nfs/dbraw/zinc/46/23/42/1080462342.db2.gz ANADLVGCTRXVRE-LJQANCHMSA-N 1 1 359.514 4.249 20 30 FIEDMO Cc1ccccc1C[N@H+]1CCCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610246198 1080538418 /nfs/dbraw/zinc/53/84/18/1080538418.db2.gz OJCVISBNZBOSJO-UHFFFAOYSA-N 1 1 370.500 4.436 20 30 FIEDMO N#CC1(CCC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CCOCC1 ZINC000375606211 1080648323 /nfs/dbraw/zinc/64/83/23/1080648323.db2.gz GUPWNVDGYDOXMF-INIZCTEOSA-N 1 1 371.456 4.247 20 30 FIEDMO CC[N@@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001167130135 1080660703 /nfs/dbraw/zinc/66/07/03/1080660703.db2.gz FCSPJQDEFSZASP-KRWDZBQOSA-N 1 1 362.473 4.346 20 30 FIEDMO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000328637064 1080667596 /nfs/dbraw/zinc/66/75/96/1080667596.db2.gz CPWPKZSCUSJCEE-HNNXBMFYSA-N 1 1 354.498 4.105 20 30 FIEDMO CCCCCCCCC[N@@H+](C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001167147683 1080730750 /nfs/dbraw/zinc/73/07/50/1080730750.db2.gz ZLBFHBYPXMOEKI-HXUWFJFHSA-N 1 1 356.551 4.041 20 30 FIEDMO Cc1ccc(CC#N)c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)[nH+]1 ZINC001167152590 1080746997 /nfs/dbraw/zinc/74/69/97/1080746997.db2.gz LWFDDEMYMCPZEY-UHFFFAOYSA-N 1 1 366.852 4.029 20 30 FIEDMO C#CCNC(=O)CC[N@@H+](Cc1ccc(-c2ccc(C)cc2)s1)C(C)C ZINC001167199630 1080830666 /nfs/dbraw/zinc/83/06/66/1080830666.db2.gz QTPDHWBPNPKDKO-UHFFFAOYSA-N 1 1 354.519 4.073 20 30 FIEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1ccc(F)cc1 ZINC001167243918 1080901491 /nfs/dbraw/zinc/90/14/91/1080901491.db2.gz AMNLDQPFGMJTCD-UHFFFAOYSA-N 1 1 367.468 4.227 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001167251747 1080911375 /nfs/dbraw/zinc/91/13/75/1080911375.db2.gz IEIHOIJHECMTAD-LJQANCHMSA-N 1 1 366.465 4.040 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001167251747 1080911377 /nfs/dbraw/zinc/91/13/77/1080911377.db2.gz IEIHOIJHECMTAD-LJQANCHMSA-N 1 1 366.465 4.040 20 30 FIEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001167317969 1081350736 /nfs/dbraw/zinc/35/07/36/1081350736.db2.gz AKRWYBJDXQWWLG-UHFFFAOYSA-N 1 1 362.473 4.317 20 30 FIEDMO FC(F)(F)c1ccccc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255136105 1081389029 /nfs/dbraw/zinc/38/90/29/1081389029.db2.gz HONZVEFIIXBLNP-UHFFFAOYSA-N 1 1 364.367 4.093 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2C3CCCC2CCC3)c1C#N ZINC000610394995 1081737428 /nfs/dbraw/zinc/73/74/28/1081737428.db2.gz IGJOZUUWKNQULD-UHFFFAOYSA-N 1 1 368.525 4.437 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177742105 1081787805 /nfs/dbraw/zinc/78/78/05/1081787805.db2.gz SMZOYCACTKSDLB-STQMWFEESA-N 1 1 361.898 4.336 20 30 FIEDMO Cn1cc([C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cccc(F)c2)cn1 ZINC000561160999 1082076644 /nfs/dbraw/zinc/07/66/44/1082076644.db2.gz WNRTWTSBAATOJO-FCHUYYIVSA-N 1 1 360.436 4.187 20 30 FIEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC001203399388 1082076825 /nfs/dbraw/zinc/07/68/25/1082076825.db2.gz WMDJJFZVALLQDF-IBGZPJMESA-N 1 1 366.864 4.090 20 30 FIEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC001203399388 1082076832 /nfs/dbraw/zinc/07/68/32/1082076832.db2.gz WMDJJFZVALLQDF-IBGZPJMESA-N 1 1 366.864 4.090 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Br)ccc1F ZINC000177859448 1082237743 /nfs/dbraw/zinc/23/77/43/1082237743.db2.gz MZYAVUZUYTVDDW-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160738030 1082282249 /nfs/dbraw/zinc/28/22/49/1082282249.db2.gz RZIKUGZMTDTHDM-GOSISDBHSA-N 1 1 365.477 4.137 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000581231535 1082392938 /nfs/dbraw/zinc/39/29/38/1082392938.db2.gz OPPVPHRNPFYDBV-VGSWGCGISA-N 1 1 351.494 4.474 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000187421780 1082693388 /nfs/dbraw/zinc/69/33/88/1082693388.db2.gz BKWRUKOVYONRDM-ZDUSSCGKSA-N 1 1 355.825 4.019 20 30 FIEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001266811737 1082855394 /nfs/dbraw/zinc/85/53/94/1082855394.db2.gz AJUPPTZHPDPRQU-APWZRJJASA-N 1 1 364.892 4.335 20 30 FIEDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Cl)cc3C#N)ccc2NC1=O ZINC000187434828 1082942095 /nfs/dbraw/zinc/94/20/95/1082942095.db2.gz HGMNDUHKVDZWBX-XIKOKIGWSA-N 1 1 369.852 4.172 20 30 FIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610581224 1083210248 /nfs/dbraw/zinc/21/02/48/1083210248.db2.gz NTELGPGVXIWTBJ-DENIHFKCSA-N 1 1 373.456 4.133 20 30 FIEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610581224 1083210250 /nfs/dbraw/zinc/21/02/50/1083210250.db2.gz NTELGPGVXIWTBJ-DENIHFKCSA-N 1 1 373.456 4.133 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510631189 1083212078 /nfs/dbraw/zinc/21/20/78/1083212078.db2.gz ROTCWCPZEGFLMR-NRFANRHFSA-N 1 1 369.553 4.310 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510674309 1083231071 /nfs/dbraw/zinc/23/10/71/1083231071.db2.gz ILQRXNDQTHICTJ-XLIONFOSSA-N 1 1 365.477 4.208 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610664069 1083303019 /nfs/dbraw/zinc/30/30/19/1083303019.db2.gz KFMOPSLCSWDSPF-CVEARBPZSA-N 1 1 373.460 4.174 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247477558 1083328245 /nfs/dbraw/zinc/32/82/45/1083328245.db2.gz UBWWEEWYEAQRSZ-CEXWTWQISA-N 1 1 363.505 4.018 20 30 FIEDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179463678 1083475179 /nfs/dbraw/zinc/47/51/79/1083475179.db2.gz MEAHPHWKJMQJIM-CQSZACIVSA-N 1 1 369.421 4.067 20 30 FIEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179463678 1083475183 /nfs/dbraw/zinc/47/51/83/1083475183.db2.gz MEAHPHWKJMQJIM-CQSZACIVSA-N 1 1 369.421 4.067 20 30 FIEDMO N#Cc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535676426 1083560124 /nfs/dbraw/zinc/56/01/24/1083560124.db2.gz PFPSVAPZCKZZGV-UHFFFAOYSA-N 1 1 374.488 4.078 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)c(F)c1 ZINC000610863817 1083774651 /nfs/dbraw/zinc/77/46/51/1083774651.db2.gz OTRCOWADOOCLCO-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1OC ZINC000628280400 1083827098 /nfs/dbraw/zinc/82/70/98/1083827098.db2.gz HFMDQLAWLVPPQZ-IBGZPJMESA-N 1 1 353.890 4.040 20 30 FIEDMO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179925954 1083902994 /nfs/dbraw/zinc/90/29/94/1083902994.db2.gz HPTITYIJHFHVPW-UHFFFAOYSA-N 1 1 360.436 4.262 20 30 FIEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000610992867 1083942150 /nfs/dbraw/zinc/94/21/50/1083942150.db2.gz OXTNFYBDELQLDG-INIZCTEOSA-N 1 1 374.307 4.385 20 30 FIEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431286116 1084155195 /nfs/dbraw/zinc/15/51/95/1084155195.db2.gz WZNFQGSUUKXKEQ-JTJHWIPRSA-N 1 1 370.541 4.087 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)[N@H+](C)C1 ZINC000329027059 1084209477 /nfs/dbraw/zinc/20/94/77/1084209477.db2.gz VVQUMTBINUJUAO-KNTRFNDTSA-N 1 1 360.498 4.089 20 30 FIEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)[N@@H+](C)C1 ZINC000329027059 1084209480 /nfs/dbraw/zinc/20/94/80/1084209480.db2.gz VVQUMTBINUJUAO-KNTRFNDTSA-N 1 1 360.498 4.089 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001125571328 1084301330 /nfs/dbraw/zinc/30/13/30/1084301330.db2.gz JAYSRMLZDBJCPR-FQEVSTJZSA-N 1 1 356.897 4.200 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000609384937 1084371210 /nfs/dbraw/zinc/37/12/10/1084371210.db2.gz XXCSRXNPBZPUTI-INIZCTEOSA-N 1 1 353.491 4.151 20 30 FIEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000609384937 1084371221 /nfs/dbraw/zinc/37/12/21/1084371221.db2.gz XXCSRXNPBZPUTI-INIZCTEOSA-N 1 1 353.491 4.151 20 30 FIEDMO CCCOc1ccc(C(C)(C)[NH2+]Cc2cccc(C(=O)OC)c2C#N)cc1 ZINC000582037957 1084501456 /nfs/dbraw/zinc/50/14/56/1084501456.db2.gz XYHZRGBPKZCKGP-UHFFFAOYSA-N 1 1 366.461 4.159 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2scc(C)c2C#N)CC1)CC1CC1 ZINC000581140109 1084518670 /nfs/dbraw/zinc/51/86/70/1084518670.db2.gz KKIFEVXCEKMZKO-UHFFFAOYSA-N 1 1 374.554 4.294 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511059952 1084520817 /nfs/dbraw/zinc/52/08/17/1084520817.db2.gz QAPLVJMIZBHOCY-INIZCTEOSA-N 1 1 356.491 4.034 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511059952 1084520827 /nfs/dbraw/zinc/52/08/27/1084520827.db2.gz QAPLVJMIZBHOCY-INIZCTEOSA-N 1 1 356.491 4.034 20 30 FIEDMO N#Cc1cnn2cc(C[N@@H+]3CC4(CCCCC4)[C@H]3c3ccccc3)cnc12 ZINC000581884974 1084638854 /nfs/dbraw/zinc/63/88/54/1084638854.db2.gz WGRQIXAYHDSYOP-HXUWFJFHSA-N 1 1 357.461 4.108 20 30 FIEDMO N#Cc1cnn2cc(C[N@H+]3CC4(CCCCC4)[C@H]3c3ccccc3)cnc12 ZINC000581884974 1084638860 /nfs/dbraw/zinc/63/88/60/1084638860.db2.gz WGRQIXAYHDSYOP-HXUWFJFHSA-N 1 1 357.461 4.108 20 30 FIEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119880140 1084679524 /nfs/dbraw/zinc/67/95/24/1084679524.db2.gz ZWLRLSSEJNOMBZ-IRXDYDNUSA-N 1 1 366.461 4.082 20 30 FIEDMO N#Cc1ccc2ncc(C[NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)n2c1 ZINC000551802986 1084721825 /nfs/dbraw/zinc/72/18/25/1084721825.db2.gz BINVVMOCHAHOGJ-INIZCTEOSA-N 1 1 362.330 4.128 20 30 FIEDMO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588145 1084902348 /nfs/dbraw/zinc/90/23/48/1084902348.db2.gz VGAJDNHNHNKXFQ-PXNSSMCTSA-N 1 1 351.469 4.260 20 30 FIEDMO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588145 1084902351 /nfs/dbraw/zinc/90/23/51/1084902351.db2.gz VGAJDNHNHNKXFQ-PXNSSMCTSA-N 1 1 351.469 4.260 20 30 FIEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000478380334 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CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)Cc1ccsc1 ZINC000426484329 1101753722 /nfs/dbraw/zinc/75/37/22/1101753722.db2.gz GGIPMXPXQZIGOR-CYBMUJFWSA-N 1 1 361.898 4.165 20 30 FIEDMO C=CCOc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187520481 1101810281 /nfs/dbraw/zinc/81/02/81/1101810281.db2.gz KDYMBRFZHVWBKJ-NRFANRHFSA-N 1 1 351.425 4.003 20 30 FIEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760231001 1101906976 /nfs/dbraw/zinc/90/69/76/1101906976.db2.gz DUOTVDMDXZNVHZ-OALUTQOASA-N 1 1 369.921 4.053 20 30 FIEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760231001 1101906982 /nfs/dbraw/zinc/90/69/82/1101906982.db2.gz DUOTVDMDXZNVHZ-OALUTQOASA-N 1 1 369.921 4.053 20 30 FIEDMO COc1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H](C)C2CC2)cc1 ZINC000506724332 1101925468 /nfs/dbraw/zinc/92/54/68/1101925468.db2.gz ACZZZRXQIPJZRN-MRXNPFEDSA-N 1 1 360.461 4.015 20 30 FIEDMO C=CCCC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000476239180 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353.422 4.003 20 30 FIEDMO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccccc1OC ZINC000520172590 1104141238 /nfs/dbraw/zinc/14/12/38/1104141238.db2.gz PDPXSOZEUITLTK-GOSISDBHSA-N 1 1 371.525 4.153 20 30 FIEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccccc1OC ZINC000520172590 1104141242 /nfs/dbraw/zinc/14/12/42/1104141242.db2.gz PDPXSOZEUITLTK-GOSISDBHSA-N 1 1 371.525 4.153 20 30 FIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000520173987 1104141540 /nfs/dbraw/zinc/14/15/40/1104141540.db2.gz MGWBTULWRBPODR-ZDUSSCGKSA-N 1 1 368.308 4.329 20 30 FIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000520173987 1104141550 /nfs/dbraw/zinc/14/15/50/1104141550.db2.gz MGWBTULWRBPODR-ZDUSSCGKSA-N 1 1 368.308 4.329 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H](SC)C1 ZINC000441133629 1104165832 /nfs/dbraw/zinc/16/58/32/1104165832.db2.gz GZGIWQYVMYKEDT-HNNXBMFYSA-N 1 1 350.553 4.121 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H](SC)C1 ZINC000441133629 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ZINC000481584270 1112989365 /nfs/dbraw/zinc/98/93/65/1112989365.db2.gz DYRVLFRVRAYJDR-XCLFUZPHSA-N 1 1 362.395 4.188 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000481601180 1112989852 /nfs/dbraw/zinc/98/98/52/1112989852.db2.gz CCYRKENXSCQTFU-BTYIYWSLSA-N 1 1 358.432 4.391 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000481591012 1112990383 /nfs/dbraw/zinc/99/03/83/1112990383.db2.gz FDCXVCHFSWORTO-SFHVURJKSA-N 1 1 352.331 4.089 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1C)c1ccc(F)c(F)c1 ZINC000481604664 1112996149 /nfs/dbraw/zinc/99/61/49/1112996149.db2.gz ZIMSFEQKAPCGFC-YWZLYKJASA-N 1 1 358.432 4.185 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481607025 1112996757 /nfs/dbraw/zinc/99/67/57/1112996757.db2.gz JVBUZTLOIOEBTN-YJYMSZOUSA-N 1 1 362.395 4.016 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1 ZINC000481617296 1112997971 /nfs/dbraw/zinc/99/79/71/1112997971.db2.gz QNEOPWCBXHLYPW-FGZHOGPDSA-N 1 1 370.443 4.439 20 30 FIEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000159626639 1113214051 /nfs/dbraw/zinc/21/40/51/1113214051.db2.gz MEFXRHYLQPOMQM-UHFFFAOYSA-N 1 1 372.472 4.145 20 30 FIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000567943746 1113240067 /nfs/dbraw/zinc/24/00/67/1113240067.db2.gz VCRBSRMJUARGDS-NRFANRHFSA-N 1 1 361.445 4.224 20 30 FIEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000567943746 1113240073 /nfs/dbraw/zinc/24/00/73/1113240073.db2.gz VCRBSRMJUARGDS-NRFANRHFSA-N 1 1 361.445 4.224 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000613252339 1113618040 /nfs/dbraw/zinc/61/80/40/1113618040.db2.gz VZPQNNWZJKRFNJ-ZACQAIPSSA-N 1 1 372.488 4.133 20 30 FIEDMO CCN(Cc1ccc(F)cc1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000489599829 1114141938 /nfs/dbraw/zinc/14/19/38/1114141938.db2.gz URIMRLODDHJDEA-HTAPYJJXSA-N 1 1 351.469 4.355 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000913040729 1114284974 /nfs/dbraw/zinc/28/49/74/1114284974.db2.gz QKKDHDPHNUFNKU-UHFFFAOYSA-N 1 1 370.456 4.157 20 30 FIEDMO Cn1cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490399529 1114287111 /nfs/dbraw/zinc/28/71/11/1114287111.db2.gz KOWZYXPYLGNTMN-UHFFFAOYSA-N 1 1 374.463 4.305 20 30 FIEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000029724993 1114364878 /nfs/dbraw/zinc/36/48/78/1114364878.db2.gz FZEWLEYMCWIVQQ-ZDUSSCGKSA-N 1 1 357.523 4.090 20 30 FIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000164321918 1114471757 /nfs/dbraw/zinc/47/17/57/1114471757.db2.gz BOVJZYNREJOUSM-GOSISDBHSA-N 1 1 358.507 4.404 20 30 FIEDMO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1C ZINC000428722394 1114498988 /nfs/dbraw/zinc/49/89/88/1114498988.db2.gz PMTZEAKZTFPVKR-GOSISDBHSA-N 1 1 367.468 4.210 20 30 FIEDMO Cc1nc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)cc1C#N ZINC000589688640 1114828218 /nfs/dbraw/zinc/82/82/18/1114828218.db2.gz XKDYOMXVAVUOKK-QGZVFWFLSA-N 1 1 351.841 4.045 20 30 FIEDMO Cc1ccc2ncc(C#N)c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC000589863930 1114857413 /nfs/dbraw/zinc/85/74/13/1114857413.db2.gz WLOCMGMIRQYZPF-FQEVSTJZSA-N 1 1 356.473 4.126 20 30 FIEDMO N#CCCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000590257805 1114912204 /nfs/dbraw/zinc/91/22/04/1114912204.db2.gz FGHDRKAKDQDQOH-RBUKOAKNSA-N 1 1 372.465 4.069 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000057431667 1114929742 /nfs/dbraw/zinc/92/97/42/1114929742.db2.gz HVXNNKKCNPKUNX-SFHVURJKSA-N 1 1 353.510 4.009 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 ZINC000057431687 1114929827 /nfs/dbraw/zinc/92/98/27/1114929827.db2.gz JGXBIGIDSJRRGL-GOSISDBHSA-N 1 1 353.510 4.151 20 30 FIEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653762 1114960171 /nfs/dbraw/zinc/96/01/71/1114960171.db2.gz NSQGPRZVTSERHM-HOYKHHGWSA-N 1 1 359.517 4.231 20 30 FIEDMO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653762 1114960172 /nfs/dbraw/zinc/96/01/72/1114960172.db2.gz NSQGPRZVTSERHM-HOYKHHGWSA-N 1 1 359.517 4.231 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COCc1ccccc1F ZINC000057944131 1115035178 /nfs/dbraw/zinc/03/51/78/1115035178.db2.gz VAFSNHRYALAVLL-OAHLLOKOSA-N 1 1 369.889 4.106 20 30 FIEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000591660516 1115116186 /nfs/dbraw/zinc/11/61/86/1115116186.db2.gz MTJPVPPHYUNJGA-YUMQZZPRSA-N 1 1 365.168 4.177 20 30 FIEDMO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(CCC#N)CC3)c2)cs1 ZINC000592135502 1115204691 /nfs/dbraw/zinc/20/46/91/1115204691.db2.gz IPZBDFQLCWMQQJ-UHFFFAOYSA-N 1 1 368.506 4.073 20 30 FIEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000592505487 1115238320 /nfs/dbraw/zinc/23/83/20/1115238320.db2.gz VWGMLBFSLGKBOQ-UXHICEINSA-N 1 1 360.461 4.260 20 30 FIEDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000592505487 1115238324 /nfs/dbraw/zinc/23/83/24/1115238324.db2.gz VWGMLBFSLGKBOQ-UXHICEINSA-N 1 1 360.461 4.260 20 30 FIEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000592522900 1115240471 /nfs/dbraw/zinc/24/04/71/1115240471.db2.gz HWGFIGCKYGOJBO-KRWDZBQOSA-N 1 1 351.233 4.104 20 30 FIEDMO C[C@@H]1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1C ZINC000592753308 1115261681 /nfs/dbraw/zinc/26/16/81/1115261681.db2.gz WOYDTNXTIGYOOY-LSBZLQRGSA-N 1 1 367.880 4.274 20 30 FIEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000592762308 1115264028 /nfs/dbraw/zinc/26/40/28/1115264028.db2.gz IXZPEZLGJSRWQC-GJZGRUSLSA-N 1 1 356.495 4.287 20 30 FIEDMO COc1ccc(Br)cc1C1([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000592372487 1115280881 /nfs/dbraw/zinc/28/08/81/1115280881.db2.gz APCMEGRJDJWUHM-UHFFFAOYSA-N 1 1 363.280 4.170 20 30 FIEDMO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000593078064 1115299790 /nfs/dbraw/zinc/29/97/90/1115299790.db2.gz WPCNGXNBODFBFS-DYVFJYSZSA-N 1 1 370.884 4.173 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000574486704 1115379598 /nfs/dbraw/zinc/37/95/98/1115379598.db2.gz OXZBGJDXGILDPL-MRXNPFEDSA-N 1 1 361.457 4.177 20 30 FIEDMO CC(C)(C#N)c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000594494324 1115450104 /nfs/dbraw/zinc/45/01/04/1115450104.db2.gz FJANJZUVFYFDCH-UHFFFAOYSA-N 1 1 361.533 4.284 20 30 FIEDMO CN1CCC([N@H+](Cc2ccco2)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594606107 1115470350 /nfs/dbraw/zinc/47/03/50/1115470350.db2.gz FJTPISJOQHQIMH-UHFFFAOYSA-N 1 1 351.494 4.177 20 30 FIEDMO CN1CCC([N@@H+](Cc2ccco2)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594606107 1115470351 /nfs/dbraw/zinc/47/03/51/1115470351.db2.gz FJTPISJOQHQIMH-UHFFFAOYSA-N 1 1 351.494 4.177 20 30 FIEDMO CC(C)(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000594985100 1115505433 /nfs/dbraw/zinc/50/54/33/1115505433.db2.gz WFYSFUWFHCQDIP-UHFFFAOYSA-N 1 1 355.507 4.108 20 30 FIEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1OCc1ccncc1 ZINC000594996266 1115505893 /nfs/dbraw/zinc/50/58/93/1115505893.db2.gz XQHOTASONKRPOQ-UHFFFAOYSA-N 1 1 365.477 4.233 20 30 FIEDMO N#CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCCC1 ZINC000594995375 1115505909 /nfs/dbraw/zinc/50/59/09/1115505909.db2.gz PBOATZFNAMVLEQ-UHFFFAOYSA-N 1 1 371.488 4.498 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000158134582 1115513820 /nfs/dbraw/zinc/51/38/20/1115513820.db2.gz AHUZDEJVEOUAFY-CYBMUJFWSA-N 1 1 364.836 4.197 20 30 FIEDMO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(CCC#N)CC1 ZINC000574985827 1115527986 /nfs/dbraw/zinc/52/79/86/1115527986.db2.gz FLTWLKRTIWNVKD-UHFFFAOYSA-N 1 1 360.454 4.343 20 30 FIEDMO CC[C@@H](C)[N@@H+](CCc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000595371065 1115533766 /nfs/dbraw/zinc/53/37/66/1115533766.db2.gz NOPWOVUDXAUJRA-MRXNPFEDSA-N 1 1 360.461 4.050 20 30 FIEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593012171 1115536068 /nfs/dbraw/zinc/53/60/68/1115536068.db2.gz XXXYYZDVFTVJBL-GOSISDBHSA-N 1 1 351.406 4.202 20 30 FIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593012171 1115536070 /nfs/dbraw/zinc/53/60/70/1115536070.db2.gz XXXYYZDVFTVJBL-GOSISDBHSA-N 1 1 351.406 4.202 20 30 FIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000595613465 1115553584 /nfs/dbraw/zinc/55/35/84/1115553584.db2.gz CXQMOXMPYWQHSZ-ZDUSSCGKSA-N 1 1 360.255 4.230 20 30 FIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000595613465 1115553586 /nfs/dbraw/zinc/55/35/86/1115553586.db2.gz CXQMOXMPYWQHSZ-ZDUSSCGKSA-N 1 1 360.255 4.230 20 30 FIEDMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612121 1115553689 /nfs/dbraw/zinc/55/36/89/1115553689.db2.gz SBQHCPZVZMDJDL-DYESRHJHSA-N 1 1 363.461 4.001 20 30 FIEDMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612121 1115553693 /nfs/dbraw/zinc/55/36/93/1115553693.db2.gz SBQHCPZVZMDJDL-DYESRHJHSA-N 1 1 363.461 4.001 20 30 FIEDMO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cscn1 ZINC000595669507 1115555673 /nfs/dbraw/zinc/55/56/73/1115555673.db2.gz VNYUPQCLQANTPM-GFCCVEGCSA-N 1 1 374.535 4.025 20 30 FIEDMO N#CCCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000595782342 1115562921 /nfs/dbraw/zinc/56/29/21/1115562921.db2.gz YMUAMTNYCJXNLS-CTNGQTDRSA-N 1 1 368.525 4.128 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595785808 1115563291 /nfs/dbraw/zinc/56/32/91/1115563291.db2.gz GQIBDPZZEUTTMO-MAUKXSAKSA-N 1 1 363.299 4.102 20 30 FIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595785808 1115563293 /nfs/dbraw/zinc/56/32/93/1115563293.db2.gz GQIBDPZZEUTTMO-MAUKXSAKSA-N 1 1 363.299 4.102 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C4CCCCC4)C3)o2)c1 ZINC000595881587 1115565834 /nfs/dbraw/zinc/56/58/34/1115565834.db2.gz UIKOMGXYBRBWNU-IBGZPJMESA-N 1 1 350.466 4.401 20 30 FIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H](CC#N)C3)c2c1C ZINC000596321743 1115583829 /nfs/dbraw/zinc/58/38/29/1115583829.db2.gz MBURPYMMAHYRDV-MRXNPFEDSA-N 1 1 369.538 4.034 20 30 FIEDMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC[C@H](CC#N)C1 ZINC000596330987 1115584437 /nfs/dbraw/zinc/58/44/37/1115584437.db2.gz WHVNRNWTSNNJNL-MRXNPFEDSA-N 1 1 351.450 4.158 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596733181 1115610793 /nfs/dbraw/zinc/61/07/93/1115610793.db2.gz CECOFEXUYVFINV-JKSUJKDBSA-N 1 1 374.554 4.180 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597027904 1115635153 /nfs/dbraw/zinc/63/51/53/1115635153.db2.gz SWXZBXGYFKZDNI-ZRBLBEILSA-N 1 1 362.473 4.126 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597027904 1115635155 /nfs/dbraw/zinc/63/51/55/1115635155.db2.gz SWXZBXGYFKZDNI-ZRBLBEILSA-N 1 1 362.473 4.126 20 30 FIEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597014985 1115636201 /nfs/dbraw/zinc/63/62/01/1115636201.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 1 1 359.517 4.196 20 30 FIEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597014985 1115636202 /nfs/dbraw/zinc/63/62/02/1115636202.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 1 1 359.517 4.196 20 30 FIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597014985 1115636203 /nfs/dbraw/zinc/63/62/03/1115636203.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 1 1 359.517 4.196 20 30 FIEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597014985 1115636204 /nfs/dbraw/zinc/63/62/04/1115636204.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 1 1 359.517 4.196 20 30 FIEDMO CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597133368 1115642687 /nfs/dbraw/zinc/64/26/87/1115642687.db2.gz SOHRLMZVOOFDRG-UHFFFAOYSA-N 1 1 359.517 4.338 20 30 FIEDMO C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597133368 1115642688 /nfs/dbraw/zinc/64/26/88/1115642688.db2.gz SOHRLMZVOOFDRG-UHFFFAOYSA-N 1 1 359.517 4.338 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477339 1115646133 /nfs/dbraw/zinc/64/61/33/1115646133.db2.gz AVLDLUSMYVSBDS-UZUQRXQVSA-N 1 1 361.489 4.209 20 30 FIEDMO C[C@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000597278669 1115653578 /nfs/dbraw/zinc/65/35/78/1115653578.db2.gz RGKZKNSQYZTFEA-FPOVZHCZSA-N 1 1 367.537 4.362 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000597290533 1115655607 /nfs/dbraw/zinc/65/56/07/1115655607.db2.gz OPGPOGLCYKSFQU-LPHOPBHVSA-N 1 1 359.539 4.111 20 30 FIEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1 ZINC000060877275 1115724418 /nfs/dbraw/zinc/72/44/18/1115724418.db2.gz TVFHLEYZABUWMS-IBGZPJMESA-N 1 1 371.525 4.233 20 30 FIEDMO CC1=Nc2ccccc2C12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000602866204 1115731266 /nfs/dbraw/zinc/73/12/66/1115731266.db2.gz UZHOBNWOKWQYOQ-INIZCTEOSA-N 1 1 372.472 4.025 20 30 FIEDMO CC1=Nc2ccccc2C12CC[NH+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2 ZINC000602866231 1115731376 /nfs/dbraw/zinc/73/13/76/1115731376.db2.gz UZHOBNWOKWQYOQ-MRXNPFEDSA-N 1 1 372.472 4.025 20 30 FIEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CCCCC2)cc1OC ZINC000598594288 1115739000 /nfs/dbraw/zinc/73/90/00/1115739000.db2.gz GNDOFRMCRNOBHN-IBGZPJMESA-N 1 1 374.525 4.139 20 30 FIEDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](c1ccccc1)C2 ZINC000598593365 1115739039 /nfs/dbraw/zinc/73/90/39/1115739039.db2.gz RMLCAWJYJKADPU-RBBKRZOGSA-N 1 1 364.489 4.095 20 30 FIEDMO Cc1ccc2c(C)cc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000603473078 1115777897 /nfs/dbraw/zinc/77/78/97/1115777897.db2.gz GVXBCLASFGCUDE-UHFFFAOYSA-N 1 1 356.473 4.046 20 30 FIEDMO N#Cc1cccc(C[NH+]2CCC(NCc3ccc(F)cc3Cl)CC2)c1 ZINC000593692642 1115795573 /nfs/dbraw/zinc/79/55/73/1115795573.db2.gz HTDKRLAOTMEBJE-UHFFFAOYSA-N 1 1 357.860 4.105 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599259906 1115803323 /nfs/dbraw/zinc/80/33/23/1115803323.db2.gz RKBABVJICCZAOO-HIFRSBDPSA-N 1 1 371.308 4.058 20 30 FIEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000599271531 1115805452 /nfs/dbraw/zinc/80/54/52/1115805452.db2.gz ZGPKXCZWAUTRSX-HKUYNNGSSA-N 1 1 370.493 4.277 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CCOCC1 ZINC000599316287 1115807101 /nfs/dbraw/zinc/80/71/01/1115807101.db2.gz PJUCMNGMQJKFKL-CUCSWSTBSA-N 1 1 368.521 4.016 20 30 FIEDMO CCC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000603882573 1115825758 /nfs/dbraw/zinc/82/57/58/1115825758.db2.gz QMKHTMUZQISLNN-HSZRJFAPSA-N 1 1 361.489 4.038 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890218 1115826713 /nfs/dbraw/zinc/82/67/13/1115826713.db2.gz UBLWMRSMHIJMHR-VQIMIIECSA-N 1 1 372.472 4.246 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCCSCC#N ZINC000599654341 1115835762 /nfs/dbraw/zinc/83/57/62/1115835762.db2.gz ZMHILZFGAGXUOI-UKRRQHHQSA-N 1 1 353.329 4.274 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599736399 1115840769 /nfs/dbraw/zinc/84/07/69/1115840769.db2.gz GCTDHEPJASEAKD-NVXWUHKLSA-N 1 1 372.538 4.219 20 30 FIEDMO CC(C)Oc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604012518 1115840898 /nfs/dbraw/zinc/84/08/98/1115840898.db2.gz LLDNHZMUXFJENZ-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO CC(C)Oc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000604012518 1115840901 /nfs/dbraw/zinc/84/09/01/1115840901.db2.gz LLDNHZMUXFJENZ-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000606902593 1115981293 /nfs/dbraw/zinc/98/12/93/1115981293.db2.gz BDYBIXMCDFNTQO-UHFFFAOYSA-N 1 1 366.889 4.118 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000173827551 1116090020 /nfs/dbraw/zinc/09/00/20/1116090020.db2.gz UGPQZMMLQNWITR-INIZCTEOSA-N 1 1 357.523 4.143 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC2(CCCC2)C1 ZINC000173827551 1116090023 /nfs/dbraw/zinc/09/00/23/1116090023.db2.gz UGPQZMMLQNWITR-INIZCTEOSA-N 1 1 357.523 4.143 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ncc(C#N)cc3Cl)cc2)C1 ZINC000608885930 1116135529 /nfs/dbraw/zinc/13/55/29/1116135529.db2.gz HAGMUPWRMWUDRF-OAHLLOKOSA-N 1 1 354.885 4.451 20 30 FIEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2C1 ZINC000594326459 1116138174 /nfs/dbraw/zinc/13/81/74/1116138174.db2.gz YFOCUBJWIMGBQK-QGZVFWFLSA-N 1 1 361.489 4.347 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000608975354 1116139206 /nfs/dbraw/zinc/13/92/06/1116139206.db2.gz SJXFBBWERJFZSP-UHFFFAOYSA-N 1 1 363.505 4.356 20 30 FIEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000594356607 1116143096 /nfs/dbraw/zinc/14/30/96/1116143096.db2.gz FNJKLXRQQRYBFP-CQSZACIVSA-N 1 1 355.869 4.091 20 30 FIEDMO C=CCC1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CCCC1 ZINC000456505016 1116194811 /nfs/dbraw/zinc/19/48/11/1116194811.db2.gz LCUWCSMHFKTPTF-UHFFFAOYSA-N 1 1 360.408 4.071 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(CC#N)cc1 ZINC000534639587 1116219415 /nfs/dbraw/zinc/21/94/15/1116219415.db2.gz CSKBMABQXHGDSU-GOSISDBHSA-N 1 1 361.489 4.057 20 30 FIEDMO Cc1cc(C#N)cc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000456957329 1116233935 /nfs/dbraw/zinc/23/39/35/1116233935.db2.gz DYQXHALYDPSXPR-SFHVURJKSA-N 1 1 362.477 4.312 20 30 FIEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000535278736 1116292093 /nfs/dbraw/zinc/29/20/93/1116292093.db2.gz WFWPIIGADZZRNE-HSZRJFAPSA-N 1 1 367.452 4.142 20 30 FIEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000535278736 1116292095 /nfs/dbraw/zinc/29/20/95/1116292095.db2.gz WFWPIIGADZZRNE-HSZRJFAPSA-N 1 1 367.452 4.142 20 30 FIEDMO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000535387534 1116302109 /nfs/dbraw/zinc/30/21/09/1116302109.db2.gz XOHVUAOZRRZLMM-RBBKRZOGSA-N 1 1 362.517 4.469 20 30 FIEDMO C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462746896 1117749846 /nfs/dbraw/zinc/74/98/46/1117749846.db2.gz VINKNAJXTQXARQ-RTWAWAEBSA-N 1 1 355.526 4.039 20 30 FIEDMO COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000539924238 1117758737 /nfs/dbraw/zinc/75/87/37/1117758737.db2.gz WXKOIBIJFCFKPZ-UHFFFAOYSA-N 1 1 370.399 4.458 20 30 FIEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000539924238 1117758739 /nfs/dbraw/zinc/75/87/39/1117758739.db2.gz WXKOIBIJFCFKPZ-UHFFFAOYSA-N 1 1 370.399 4.458 20 30 FIEDMO CC(C)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCOC1 ZINC000462869565 1117827828 /nfs/dbraw/zinc/82/78/28/1117827828.db2.gz GUXQQULNHHMNOO-OAQYLSRUSA-N 1 1 350.462 4.137 20 30 FIEDMO CCCN1C(=O)C2(CCCCC2)[NH2+]C12CCC(C#N)(c1ccccc1)CC2 ZINC000463025473 1117921407 /nfs/dbraw/zinc/92/14/07/1117921407.db2.gz QMXHITAKZSLYEI-UHFFFAOYSA-N 1 1 365.521 4.263 20 30 FIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCCSCC#N ZINC000428803417 1117963059 /nfs/dbraw/zinc/96/30/59/1117963059.db2.gz RAMIVWGCAZKZBY-CJNGLKHVSA-N 1 1 358.429 4.114 20 30 FIEDMO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCCSCC#N ZINC000428803417 1117963061 /nfs/dbraw/zinc/96/30/61/1117963061.db2.gz RAMIVWGCAZKZBY-CJNGLKHVSA-N 1 1 358.429 4.114 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540399012 1118032260 /nfs/dbraw/zinc/03/22/60/1118032260.db2.gz YYBZSNDJVLAFGQ-MRXNPFEDSA-N 1 1 356.429 4.056 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463218153 1118041474 /nfs/dbraw/zinc/04/14/74/1118041474.db2.gz IZHLTRNDSZNRDX-WMZHIEFXSA-N 1 1 363.505 4.304 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463218153 1118041480 /nfs/dbraw/zinc/04/14/80/1118041480.db2.gz IZHLTRNDSZNRDX-WMZHIEFXSA-N 1 1 363.505 4.304 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1C#N ZINC000540433668 1118062292 /nfs/dbraw/zinc/06/22/92/1118062292.db2.gz LGWFTAFMNGQTTJ-INIZCTEOSA-N 1 1 371.440 4.258 20 30 FIEDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F ZINC000540460480 1118066560 /nfs/dbraw/zinc/06/65/60/1118066560.db2.gz LJFJWLHIPPBQOY-QGZVFWFLSA-N 1 1 363.795 4.169 20 30 FIEDMO Cc1cc([C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)ccc1F ZINC000540523370 1118106528 /nfs/dbraw/zinc/10/65/28/1118106528.db2.gz PWUMBDPMLSVGPH-FQEVSTJZSA-N 1 1 362.408 4.297 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c1C#N ZINC000540527274 1118108631 /nfs/dbraw/zinc/10/86/31/1118108631.db2.gz WLJFUWKTVYGFIV-FQEVSTJZSA-N 1 1 352.409 4.033 20 30 FIEDMO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C[C@@H](C)OC ZINC000463416497 1118142283 /nfs/dbraw/zinc/14/22/83/1118142283.db2.gz ALCPHJSFFIKKFY-QGZVFWFLSA-N 1 1 368.477 4.003 20 30 FIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463439979 1118164981 /nfs/dbraw/zinc/16/49/81/1118164981.db2.gz MITNVEDMRDPPMR-DEOSSOPVSA-N 1 1 362.517 4.305 20 30 FIEDMO CC(C)(C#N)CC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540667633 1118180830 /nfs/dbraw/zinc/18/08/30/1118180830.db2.gz YODFEYKNTPDWDK-UHFFFAOYSA-N 1 1 353.432 4.153 20 30 FIEDMO CC(C)(C#N)CCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540667633 1118180831 /nfs/dbraw/zinc/18/08/31/1118180831.db2.gz YODFEYKNTPDWDK-UHFFFAOYSA-N 1 1 353.432 4.153 20 30 FIEDMO CC(C)(C#N)CCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540667633 1118180832 /nfs/dbraw/zinc/18/08/32/1118180832.db2.gz YODFEYKNTPDWDK-UHFFFAOYSA-N 1 1 353.432 4.153 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000540802914 1118255270 /nfs/dbraw/zinc/25/52/70/1118255270.db2.gz BVVWWDDTWIEQKE-UHFFFAOYSA-N 1 1 361.363 4.008 20 30 FIEDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)c1cccc(C#N)c1 ZINC000540988902 1118339327 /nfs/dbraw/zinc/33/93/27/1118339327.db2.gz KLYQVTVSIJDZOA-FZKQIMNGSA-N 1 1 359.267 4.095 20 30 FIEDMO N#CCC1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000540997014 1118345644 /nfs/dbraw/zinc/34/56/44/1118345644.db2.gz YPZIIFUZRFOSCK-UHFFFAOYSA-N 1 1 359.214 4.176 20 30 FIEDMO Cc1ccnc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000541350215 1118483380 /nfs/dbraw/zinc/48/33/80/1118483380.db2.gz VNOXOBZDHRNXQV-KBXCAEBGSA-N 1 1 358.848 4.159 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000464733563 1118668023 /nfs/dbraw/zinc/66/80/23/1118668023.db2.gz JQAGTUJSUWOXLJ-MGPUTAFESA-N 1 1 351.425 4.109 20 30 FIEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000464740974 1118680529 /nfs/dbraw/zinc/68/05/29/1118680529.db2.gz RFILVJUPPQGQOP-PBHICJAKSA-N 1 1 359.539 4.338 20 30 FIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000464785922 1118695048 /nfs/dbraw/zinc/69/50/48/1118695048.db2.gz IUEFLFGCKOQWAM-GOSISDBHSA-N 1 1 373.497 4.287 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821541 1118706068 /nfs/dbraw/zinc/70/60/68/1118706068.db2.gz IVCWAFKBPQGCHW-UXHICEINSA-N 1 1 367.880 4.440 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821541 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CCOc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492583659 1119136422 /nfs/dbraw/zinc/13/64/22/1119136422.db2.gz QDCWCAMWEBDTSC-UHFFFAOYSA-N 1 1 363.417 4.154 20 30 FIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880692 1119159074 /nfs/dbraw/zinc/15/90/74/1119159074.db2.gz JIORKONQPXSYCJ-DLBZAZTESA-N 1 1 369.534 4.344 20 30 FIEDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492765795 1119183101 /nfs/dbraw/zinc/18/31/01/1119183101.db2.gz FCZYJESYHYRCCP-UHFFFAOYSA-N 1 1 373.294 4.094 20 30 FIEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492765795 1119183105 /nfs/dbraw/zinc/18/31/05/1119183105.db2.gz FCZYJESYHYRCCP-UHFFFAOYSA-N 1 1 373.294 4.094 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000492794911 1119193434 /nfs/dbraw/zinc/19/34/34/1119193434.db2.gz XWDGKVLDMDCDPG-HZPDHXFCSA-N 1 1 351.313 4.181 20 30 FIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000492794911 1119193436 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C=C(C)[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000185447452 1119663691 /nfs/dbraw/zinc/66/36/91/1119663691.db2.gz LJHLGBXYHVODMK-HNAYVOBHSA-N 1 1 365.468 4.002 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1OC ZINC000186433768 1119728309 /nfs/dbraw/zinc/72/83/09/1119728309.db2.gz IWSKEKYTFLWOHI-QHCPKHFHSA-N 1 1 365.473 4.282 20 30 FIEDMO C=C(C)[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000186448906 1119731099 /nfs/dbraw/zinc/73/10/99/1119731099.db2.gz JNSFKRMVCQCNJZ-LIRRHRJNSA-N 1 1 365.445 4.034 20 30 FIEDMO C=CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000187108638 1119767062 /nfs/dbraw/zinc/76/70/62/1119767062.db2.gz HNJZRTPKXBEXFK-LJQANCHMSA-N 1 1 363.436 4.296 20 30 FIEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267793 1119816840 /nfs/dbraw/zinc/81/68/40/1119816840.db2.gz JQDGALCJNIPPOL-LFNFIXQYSA-N 1 1 361.489 4.357 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267792 1119817176 /nfs/dbraw/zinc/81/71/76/1119817176.db2.gz JQDGALCJNIPPOL-BZYWECANSA-N 1 1 361.489 4.357 20 30 FIEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292994 1119822242 /nfs/dbraw/zinc/82/22/42/1119822242.db2.gz LERYSHILFZNDAM-UHFFFAOYSA-N 1 1 363.230 4.100 20 30 FIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494292994 1119822249 /nfs/dbraw/zinc/82/22/49/1119822249.db2.gz LERYSHILFZNDAM-UHFFFAOYSA-N 1 1 363.230 4.100 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 ZINC000761768627 1120380953 /nfs/dbraw/zinc/38/09/53/1120380953.db2.gz UOFHXBALZKGUJA-JWQCQUIFSA-N 1 1 368.480 4.434 20 30 FIEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000303581237 1120774969 /nfs/dbraw/zinc/77/49/69/1120774969.db2.gz OYLOTAAYDXFDLY-NRFANRHFSA-N 1 1 354.519 4.120 20 30 FIEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216260 1120872605 /nfs/dbraw/zinc/87/26/05/1120872605.db2.gz VONQESDKJNTPOB-KSSFIOAISA-N 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Cc1ccc2c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc(=O)oc2c1C ZINC000194965633 1123057411 /nfs/dbraw/zinc/05/74/11/1123057411.db2.gz QOTWUIROESKULF-UHFFFAOYSA-N 1 1 358.441 4.446 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000072518192 1123075997 /nfs/dbraw/zinc/07/59/97/1123075997.db2.gz APWIIJZEJJPTOF-QGZVFWFLSA-N 1 1 356.539 4.443 20 30 FIEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000073510970 1123226102 /nfs/dbraw/zinc/22/61/02/1123226102.db2.gz VKDOXPPOSKWJRQ-HNNXBMFYSA-N 1 1 365.264 4.084 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1F ZINC000920387820 1123451533 /nfs/dbraw/zinc/45/15/33/1123451533.db2.gz UQQARLATBPCEBZ-QRVIBDJDSA-N 1 1 360.392 4.193 20 30 FIEDMO CN(CCC#N)c1ccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)cc1 ZINC000920957043 1123542016 /nfs/dbraw/zinc/54/20/16/1123542016.db2.gz ZRIGOGNCDRHOJA-UHFFFAOYSA-N 1 1 368.569 4.315 20 30 FIEDMO CCOc1ccc(O)c(/C=N\C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000921260652 1123604954 /nfs/dbraw/zinc/60/49/54/1123604954.db2.gz DLMWRYVALFHVLM-QKYYUXOMSA-N 1 1 352.478 4.265 20 30 FIEDMO N#Cc1ccc(F)c(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000609464364 1123720847 /nfs/dbraw/zinc/72/08/47/1123720847.db2.gz BOIRWIJRFIBWPC-UHFFFAOYSA-N 1 1 367.251 4.389 20 30 FIEDMO N#Cc1ccc(F)c(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000609464364 1123720851 /nfs/dbraw/zinc/72/08/51/1123720851.db2.gz BOIRWIJRFIBWPC-UHFFFAOYSA-N 1 1 367.251 4.389 20 30 FIEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000135870745 1123809314 /nfs/dbraw/zinc/80/93/14/1123809314.db2.gz JDXPWRXPCONWDQ-RXVVDRJESA-N 1 1 356.558 4.252 20 30 FIEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000609766853 1123825828 /nfs/dbraw/zinc/82/58/28/1123825828.db2.gz ZDYAIJJDJCNYPR-UYAOXDASSA-N 1 1 359.901 4.066 20 30 FIEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000609766853 1123825836 /nfs/dbraw/zinc/82/58/36/1123825836.db2.gz ZDYAIJJDJCNYPR-UYAOXDASSA-N 1 1 359.901 4.066 20 30 FIEDMO CCCC[C@@H](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609761473 1123834078 /nfs/dbraw/zinc/83/40/78/1123834078.db2.gz MCIQNQYKUHMXHM-LJQANCHMSA-N 1 1 355.526 4.199 20 30 FIEDMO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000609964991 1123898494 /nfs/dbraw/zinc/89/84/94/1123898494.db2.gz YYAIIGSVBRQAKC-UHFFFAOYSA-N 1 1 372.875 4.354 20 30 FIEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000610091445 1123937439 /nfs/dbraw/zinc/93/74/39/1123937439.db2.gz XEMBRDDXYPONEO-YLJYHZDGSA-N 1 1 355.526 4.451 20 30 FIEDMO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000179796644 1124081493 /nfs/dbraw/zinc/08/14/93/1124081493.db2.gz QJLCELAJCDXQFL-QRWLVFNGSA-N 1 1 371.431 4.341 20 30 FIEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179893108 1124127574 /nfs/dbraw/zinc/12/75/74/1124127574.db2.gz PNNDISPCIHIEOU-QFIPXVFZSA-N 1 1 374.488 4.074 20 30 FIEDMO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccsc2)O1 ZINC000245810726 1124256854 /nfs/dbraw/zinc/25/68/54/1124256854.db2.gz ZHVCLBCTNRDBPG-JXFKEZNVSA-N 1 1 356.491 4.393 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H](c2ccsc2)O1 ZINC000245810726 1124256863 /nfs/dbraw/zinc/25/68/63/1124256863.db2.gz ZHVCLBCTNRDBPG-JXFKEZNVSA-N 1 1 356.491 4.393 20 30 FIEDMO CC(C)[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302021824 1124277784 /nfs/dbraw/zinc/27/77/84/1124277784.db2.gz FULBMLNUIULATB-ZWKOTPCHSA-N 1 1 358.848 4.382 20 30 FIEDMO CC(C)[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302021824 1124277788 /nfs/dbraw/zinc/27/77/88/1124277788.db2.gz FULBMLNUIULATB-ZWKOTPCHSA-N 1 1 358.848 4.382 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000302098074 1124283567 /nfs/dbraw/zinc/28/35/67/1124283567.db2.gz KCGFEFJQBNHQBP-QGZVFWFLSA-N 1 1 353.510 4.242 20 30 FIEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000302108225 1124284114 /nfs/dbraw/zinc/28/41/14/1124284114.db2.gz OKMQZRYNVAFJAC-YLJYHZDGSA-N 1 1 353.491 4.317 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000302134346 1124286526 /nfs/dbraw/zinc/28/65/26/1124286526.db2.gz ZHPJUQKLNBEHPG-JTHBVZDNSA-N 1 1 373.500 4.252 20 30 FIEDMO N#Cc1cccnc1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000302171225 1124291601 /nfs/dbraw/zinc/29/16/01/1124291601.db2.gz PYKQCOFOLMUHNK-UHFFFAOYSA-N 1 1 361.276 4.337 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000302186727 1124293109 /nfs/dbraw/zinc/29/31/09/1124293109.db2.gz VTEUKWBRNOJQCV-INIZCTEOSA-N 1 1 364.449 4.310 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075900522 1124316025 /nfs/dbraw/zinc/31/60/25/1124316025.db2.gz KWAFLVMQRKUTLU-KUHUBIRLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075900522 1124316032 /nfs/dbraw/zinc/31/60/32/1124316032.db2.gz KWAFLVMQRKUTLU-KUHUBIRLSA-N 1 1 362.408 4.330 20 30 FIEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000246037096 1124322169 /nfs/dbraw/zinc/32/21/69/1124322169.db2.gz QVHSBSOVDXOZOW-KKSFZXQISA-N 1 1 373.518 4.040 20 30 FIEDMO COc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc1 ZINC000123207984 1124433623 /nfs/dbraw/zinc/43/36/23/1124433623.db2.gz UWGGIIQQAJNMJH-UHFFFAOYSA-N 1 1 362.433 4.027 20 30 FIEDMO COc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2)cc1 ZINC000123207984 1124433627 /nfs/dbraw/zinc/43/36/27/1124433627.db2.gz UWGGIIQQAJNMJH-UHFFFAOYSA-N 1 1 362.433 4.027 20 30 FIEDMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405666 1124564493 /nfs/dbraw/zinc/56/44/93/1124564493.db2.gz CJVIIUIGIZEZHI-GOSISDBHSA-N 1 1 363.505 4.208 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000247246179 1124610668 /nfs/dbraw/zinc/61/06/68/1124610668.db2.gz VSCCRTPIMJUFMR-ZACQAIPSSA-N 1 1 359.539 4.387 20 30 FIEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198385573 1124717421 /nfs/dbraw/zinc/71/74/21/1124717421.db2.gz WNLFYSFBBVGEQR-AWEZNQCLSA-N 1 1 353.491 4.130 20 30 FIEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000617781784 1124873191 /nfs/dbraw/zinc/87/31/91/1124873191.db2.gz UHPAQIJPZPKYSG-PKOBYXMFSA-N 1 1 355.526 4.308 20 30 FIEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C ZINC000091376915 1125069695 /nfs/dbraw/zinc/06/96/95/1125069695.db2.gz IWTQLGIHEYMGJH-AWEZNQCLSA-N 1 1 357.379 4.294 20 30 FIEDMO C[C@H](NC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000181784242 1125135995 /nfs/dbraw/zinc/13/59/95/1125135995.db2.gz MYCJYQZPHFEOQV-OALUTQOASA-N 1 1 363.505 4.109 20 30 FIEDMO C[C@@H](c1ccccc1F)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000522162176 1125160259 /nfs/dbraw/zinc/16/02/59/1125160259.db2.gz ZLOPFTJLQGXXIY-INIZCTEOSA-N 1 1 360.436 4.129 20 30 FIEDMO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2ccccc2n1 ZINC000672580030 1125182804 /nfs/dbraw/zinc/18/28/04/1125182804.db2.gz VRNVZQXWKHYNJT-FQEVSTJZSA-N 1 1 355.441 4.321 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)cc1C ZINC000181950077 1125193437 /nfs/dbraw/zinc/19/34/37/1125193437.db2.gz ALXSAEIEQPSYGK-MRXNPFEDSA-N 1 1 371.431 4.179 20 30 FIEDMO NC(CCCc1ccccc1)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132119802 1125278794 /nfs/dbraw/zinc/27/87/94/1125278794.db2.gz LPRUPYSHQKKRGN-UHFFFAOYSA-N 1 1 370.840 4.202 20 30 FIEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093324600 1125301405 /nfs/dbraw/zinc/30/14/05/1125301405.db2.gz RAHUQFNDCUDMSJ-SFHVURJKSA-N 1 1 374.488 4.232 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000093389027 1125317915 /nfs/dbraw/zinc/31/79/15/1125317915.db2.gz VNSQHVNZRVAMAW-QHCPKHFHSA-N 1 1 364.489 4.241 20 30 FIEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCCC2)C1 ZINC000057388567 221087257 /nfs/dbraw/zinc/08/72/57/221087257.db2.gz YSIMTDSGLQZGFC-GOSISDBHSA-N 1 1 353.510 4.009 20 30 FIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)n2)cc1 ZINC000602642999 568003367 /nfs/dbraw/zinc/00/33/67/568003367.db2.gz KHDNOPRVRZWYGO-CVEARBPZSA-N 1 1 368.481 4.049 20 30 FIEDMO COC(=O)c1ccc(-c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000481923836 568186408 /nfs/dbraw/zinc/18/64/08/568186408.db2.gz OCAWAYLZICTQDA-UHFFFAOYSA-N 1 1 360.413 4.237 20 30 FIEDMO N#Cc1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000481988811 568215756 /nfs/dbraw/zinc/21/57/56/568215756.db2.gz GXGGAFAUHLGAKZ-QUCCMNQESA-N 1 1 366.896 4.098 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])c1 ZINC000569608196 568409738 /nfs/dbraw/zinc/40/97/38/568409738.db2.gz DUEGWHPLEWKSEF-UHFFFAOYSA-N 1 1 357.360 4.304 20 30 FIEDMO Cc1cc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001164621476 719056964 /nfs/dbraw/zinc/05/69/64/719056964.db2.gz JKIBKQHLIAYBJJ-PKOBYXMFSA-N 1 1 366.896 4.016 20 30 FIEDMO N#Cc1ccc2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164621003 719073300 /nfs/dbraw/zinc/07/33/00/719073300.db2.gz FYNHFPOWIUOLPY-GMAHTHKFSA-N 1 1 368.484 4.207 20 30 FIEDMO N#Cc1ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312732627 1125469559 /nfs/dbraw/zinc/46/95/59/1125469559.db2.gz SUUXHGKIXDTOPC-GOSISDBHSA-N 1 1 364.449 4.181 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000093689928 1125492655 /nfs/dbraw/zinc/49/26/55/1125492655.db2.gz DBONWEVCINNUPC-PMACEKPBSA-N 1 1 366.534 4.324 20 30 FIEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000066149870 1125508699 /nfs/dbraw/zinc/50/86/99/1125508699.db2.gz OHMWSQSQDAFEKT-INIZCTEOSA-N 1 1 367.518 4.170 20 30 FIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(=O)OC)cc1 ZINC000543058086 1125569741 /nfs/dbraw/zinc/56/97/41/1125569741.db2.gz PCPNUPLPWSDFQG-UHFFFAOYSA-N 1 1 365.882 4.142 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(=O)OC)cc1 ZINC000543058086 1125569745 /nfs/dbraw/zinc/56/97/45/1125569745.db2.gz PCPNUPLPWSDFQG-UHFFFAOYSA-N 1 1 365.882 4.142 20 30 FIEDMO C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1cccc(C#N)c1 ZINC000619553241 1125614163 /nfs/dbraw/zinc/61/41/63/1125614163.db2.gz YZDQOIOWLYLBEK-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1Cl ZINC000619748302 1125689978 /nfs/dbraw/zinc/68/99/78/1125689978.db2.gz HDNUCEAUGOXOHP-UHFFFAOYSA-N 1 1 353.622 4.403 20 30 FIEDMO C=CCC(CC=C)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000152999053 1125712663 /nfs/dbraw/zinc/71/26/63/1125712663.db2.gz DERYQBBQKNAPOE-HXUWFJFHSA-N 1 1 364.493 4.037 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc2O1 ZINC000430144270 1079596264 /nfs/dbraw/zinc/59/62/64/1079596264.db2.gz CBRJVPNEBGXYPX-SFHVURJKSA-N 1 1 372.472 4.247 20 30 FIEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)nc1 ZINC000430180990 1079749626 /nfs/dbraw/zinc/74/96/26/1079749626.db2.gz UFHIENRQKVTQOF-LJQANCHMSA-N 1 1 361.470 4.335 20 30 FIEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCOc2cccc3ccccc32)c1 ZINC001167073040 1080019102 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ZINC000046088425 1104948000 /nfs/dbraw/zinc/94/80/00/1104948000.db2.gz HZJJULQGRJKDPB-HXUWFJFHSA-N 1 1 367.518 4.449 20 30 FIEDMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507773672 1104969094 /nfs/dbraw/zinc/96/90/94/1104969094.db2.gz VANCNZHPHRZTLH-MRXNPFEDSA-N 1 1 374.444 4.213 20 30 FIEDMO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1F ZINC000520784358 1105261115 /nfs/dbraw/zinc/26/11/15/1105261115.db2.gz GZFSXNZNCZMMPI-UHFFFAOYSA-N 1 1 372.415 4.279 20 30 FIEDMO C=C[C@H](CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001270925807 1105285795 /nfs/dbraw/zinc/28/57/95/1105285795.db2.gz KSQDZZDZOWNKMG-ZJSXRUAMSA-N 1 1 362.517 4.375 20 30 FIEDMO C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000451093691 1106924269 /nfs/dbraw/zinc/92/42/69/1106924269.db2.gz OJMPKOIWRMAZAE-NRFANRHFSA-N 1 1 373.544 4.302 20 30 FIEDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451093691 1106924276 /nfs/dbraw/zinc/92/42/76/1106924276.db2.gz 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C[N@H+]1CCC[C@H]2CN(CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067276 1107149966 /nfs/dbraw/zinc/14/99/66/1107149966.db2.gz BZGVFEQXXRKPOV-URXFXBBRSA-N 1 1 373.544 4.302 20 30 FIEDMO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc21 ZINC000530733925 1107303609 /nfs/dbraw/zinc/30/36/09/1107303609.db2.gz WJUZDQXOKAWJTM-LEWJYISDSA-N 1 1 359.477 4.284 20 30 FIEDMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc21 ZINC000530733925 1107303626 /nfs/dbraw/zinc/30/36/26/1107303626.db2.gz WJUZDQXOKAWJTM-LEWJYISDSA-N 1 1 359.477 4.284 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1Cl ZINC000451849312 1107342217 /nfs/dbraw/zinc/34/22/17/1107342217.db2.gz HGWALYGZBBGXHF-LJQANCHMSA-N 1 1 369.852 4.360 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451965580 1107399825 /nfs/dbraw/zinc/39/98/25/1107399825.db2.gz KUUXKXYTHQAWTE-INIZCTEOSA-N 1 1 361.417 4.064 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451965580 1107399840 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CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000444663943 1108067375 /nfs/dbraw/zinc/06/73/75/1108067375.db2.gz ZKRHHAPRGDMFKZ-KRWDZBQOSA-N 1 1 374.504 4.379 20 30 FIEDMO COc1cc(N[C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)cc(OC)c1 ZINC000444664360 1108069174 /nfs/dbraw/zinc/06/91/74/1108069174.db2.gz NOFXRDBSQHOLKL-QGZVFWFLSA-N 1 1 359.514 4.300 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000444683808 1108086742 /nfs/dbraw/zinc/08/67/42/1108086742.db2.gz ZQECEGMJBAEAKG-SFHVURJKSA-N 1 1 367.493 4.347 20 30 FIEDMO C[NH+](C)[C@@H]1CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444689011 1108091053 /nfs/dbraw/zinc/09/10/53/1108091053.db2.gz DXGYRPYJTRZGMI-HSZRJFAPSA-N 1 1 361.533 4.302 20 30 FIEDMO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000444745241 1108148148 /nfs/dbraw/zinc/14/81/48/1108148148.db2.gz SZNCUXHCNWKBEQ-NXEZZACHSA-N 1 1 369.227 4.212 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444892901 1108282872 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358.445 4.037 20 30 FIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000440825421 1108937184 /nfs/dbraw/zinc/93/71/84/1108937184.db2.gz RDEQCGLYNXHZIX-GFCCVEGCSA-N 1 1 355.385 4.283 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428426223 1109064720 /nfs/dbraw/zinc/06/47/20/1109064720.db2.gz XGXAFTPPRQZSDV-UHFFFAOYSA-N 1 1 366.415 4.291 20 30 FIEDMO N#Cc1ccccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000446838242 1109356497 /nfs/dbraw/zinc/35/64/97/1109356497.db2.gz GHAWEEJNXYXXSX-UHFFFAOYSA-N 1 1 360.379 4.373 20 30 FIEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@@H]1C ZINC000525407317 1109374619 /nfs/dbraw/zinc/37/46/19/1109374619.db2.gz RTRFMFDHBCAIKZ-CVDCTZTESA-N 1 1 360.501 4.031 20 30 FIEDMO COCC[N@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576568 1109385376 /nfs/dbraw/zinc/38/53/76/1109385376.db2.gz CDZPNVTXRWBEHP-CYBMUJFWSA-N 1 1 352.356 4.380 20 30 FIEDMO COCC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508576568 1109385379 /nfs/dbraw/zinc/38/53/79/1109385379.db2.gz CDZPNVTXRWBEHP-CYBMUJFWSA-N 1 1 352.356 4.380 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000525636750 1109464388 /nfs/dbraw/zinc/46/43/88/1109464388.db2.gz KGQXWLVCTAIVTJ-FQEVSTJZSA-N 1 1 350.462 4.481 20 30 FIEDMO C=CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1 ZINC000447314831 1109504480 /nfs/dbraw/zinc/50/44/80/1109504480.db2.gz NWXFYCBJZBZVLM-UHFFFAOYSA-N 1 1 354.360 4.038 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000526303806 1109635808 /nfs/dbraw/zinc/63/58/08/1109635808.db2.gz XIYPUDXYSIZCQF-MRXNPFEDSA-N 1 1 354.759 4.054 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000526941896 1109651598 /nfs/dbraw/zinc/65/15/98/1109651598.db2.gz UXBLTDGIMIEIGW-MRXNPFEDSA-N 1 1 368.550 4.191 20 30 FIEDMO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000448333330 1109774525 /nfs/dbraw/zinc/77/45/25/1109774525.db2.gz BLYLZYLJMKPCCG-UHFFFAOYSA-N 1 1 354.523 4.025 20 30 FIEDMO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000448333330 1109774527 /nfs/dbraw/zinc/77/45/27/1109774527.db2.gz BLYLZYLJMKPCCG-UHFFFAOYSA-N 1 1 354.523 4.025 20 30 FIEDMO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000527811015 1109828157 /nfs/dbraw/zinc/82/81/57/1109828157.db2.gz OEVBOKCZURWWER-UHFFFAOYSA-N 1 1 355.507 4.108 20 30 FIEDMO N#Cc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000449403811 1110059134 /nfs/dbraw/zinc/05/91/34/1110059134.db2.gz XXFDTDQMXYSZHV-UHFFFAOYSA-N 1 1 359.273 4.281 20 30 FIEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)s1 ZINC000449436271 1110078955 /nfs/dbraw/zinc/07/89/55/1110078955.db2.gz HGZKYFNPCQIVCL-UHFFFAOYSA-N 1 1 357.426 4.475 20 30 FIEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H]1C ZINC000449498168 1110093795 /nfs/dbraw/zinc/09/37/95/1110093795.db2.gz RYCJIUNTMCCKGX-JPYJTQIMSA-N 1 1 364.489 4.384 20 30 FIEDMO C=CCOc1c(Cl)cc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000623404166 1110313168 /nfs/dbraw/zinc/31/31/68/1110313168.db2.gz RZZSKRYNGDWQIV-MRXNPFEDSA-N 1 1 366.933 4.123 20 30 FIEDMO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538507435 1111172819 /nfs/dbraw/zinc/17/28/19/1111172819.db2.gz DSXUXAZIPCQABI-KRWDZBQOSA-N 1 1 351.469 4.055 20 30 FIEDMO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507997 1111173424 /nfs/dbraw/zinc/17/34/24/1111173424.db2.gz QIHCTVYAFORDAC-QGZVFWFLSA-N 1 1 369.484 4.269 20 30 FIEDMO C=C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423129 1111207020 /nfs/dbraw/zinc/20/70/20/1111207020.db2.gz DRBQSDJOAOIWJC-GMKZXUHWSA-N 1 1 374.528 4.327 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000538604476 1111209721 /nfs/dbraw/zinc/20/97/21/1111209721.db2.gz VTKWSKJPZPYMSK-UHFFFAOYSA-N 1 1 367.374 4.304 20 30 FIEDMO C=CCc1cc(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(OC)c1O ZINC000538717656 1111259047 /nfs/dbraw/zinc/25/90/47/1111259047.db2.gz PNBUXAPSNWAYDB-DUXKGJEZSA-N 1 1 359.510 4.155 20 30 FIEDMO COc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1OCCCC#N ZINC000538723530 1111263038 /nfs/dbraw/zinc/26/30/38/1111263038.db2.gz KPYVWSUNPKAQMF-HXUWFJFHSA-N 1 1 350.462 4.195 20 30 FIEDMO COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC(C)(C)CCC#N ZINC000538729329 1111266628 /nfs/dbraw/zinc/26/66/28/1111266628.db2.gz HKVJCDWNGCZWFX-UHFFFAOYSA-N 1 1 371.308 4.341 20 30 FIEDMO COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC(C)(C)CCC#N ZINC000538729329 1111266631 /nfs/dbraw/zinc/26/66/31/1111266631.db2.gz HKVJCDWNGCZWFX-UHFFFAOYSA-N 1 1 371.308 4.341 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000538752106 1111282599 /nfs/dbraw/zinc/28/25/99/1111282599.db2.gz IVZSPFYVBBZIDJ-CABCVRRESA-N 1 1 352.869 4.483 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl ZINC000478051641 1111666720 /nfs/dbraw/zinc/66/67/20/1111666720.db2.gz CPEWDWIOFGUOSP-UHFFFAOYSA-N 1 1 373.909 4.145 20 30 FIEDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000478103069 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FC(F)(F)c1ccc(C#CC[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000480384589 1112412667 /nfs/dbraw/zinc/41/26/67/1112412667.db2.gz NHQMEOZZVAQQDL-UHFFFAOYSA-N 1 1 355.363 4.032 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c(Br)c1 ZINC000480675762 1112540780 /nfs/dbraw/zinc/54/07/80/1112540780.db2.gz CBOGWSSIQTXYMM-UHFFFAOYSA-N 1 1 370.294 4.033 20 30 FIEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554887157 1112545576 /nfs/dbraw/zinc/54/55/76/1112545576.db2.gz BIBKGNFTVKDFLQ-PBHICJAKSA-N 1 1 359.539 4.338 20 30 FIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)cc1 ZINC000480749379 1112576814 /nfs/dbraw/zinc/57/68/14/1112576814.db2.gz NUWAGPCECBHEPD-MRXNPFEDSA-N 1 1 371.278 4.319 20 30 FIEDMO COc1cc(C[NH2+][C@H](C)c2sccc2Br)ccc1C#N ZINC000555003121 1112613298 /nfs/dbraw/zinc/61/32/98/1112613298.db2.gz OLDWTWASOBOLNE-SNVBAGLBSA-N 1 1 351.269 4.242 20 30 FIEDMO N#CCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000555420610 1112827715 /nfs/dbraw/zinc/82/77/15/1112827715.db2.gz 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N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111305943 1113348783 /nfs/dbraw/zinc/34/87/83/1113348783.db2.gz CBOMHGKRDXWEHP-OAHLLOKOSA-N 1 1 359.882 4.091 20 30 FIEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483017279 1113422185 /nfs/dbraw/zinc/42/21/85/1113422185.db2.gz SKALVKTUJJRYGS-HXUWFJFHSA-N 1 1 373.500 4.075 20 30 FIEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486835571 1113660187 /nfs/dbraw/zinc/66/01/87/1113660187.db2.gz VGQQXEWCTTZVBE-ZJSXRUAMSA-N 1 1 369.468 4.142 20 30 FIEDMO CCCN(C(=O)c1ccc(C#N)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000487756107 1113801735 /nfs/dbraw/zinc/80/17/35/1113801735.db2.gz UQYVEFKAXLRNJG-SFHVURJKSA-N 1 1 367.518 4.137 20 30 FIEDMO C=CCCCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000488323864 1113912286 /nfs/dbraw/zinc/91/22/86/1113912286.db2.gz RJHXCHMDRDAVMP-SFHVURJKSA-N 1 1 358.530 4.464 20 30 FIEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1cccs1 ZINC000570169824 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367.518 4.353 20 30 FIEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000489441041 1114106561 /nfs/dbraw/zinc/10/65/61/1114106561.db2.gz CQYOOCNEFKOKMO-LJQANCHMSA-N 1 1 367.518 4.353 20 30 FIEDMO CCN(Cc1ccc(F)cc1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000489599835 1114142007 /nfs/dbraw/zinc/14/20/07/1114142007.db2.gz URIMRLODDHJDEA-VGSWGCGISA-N 1 1 351.469 4.355 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000490057035 1114211126 /nfs/dbraw/zinc/21/11/26/1114211126.db2.gz SFHZDBXJMCJKQK-JXFKEZNVSA-N 1 1 358.445 4.295 20 30 FIEDMO COc1cc(N[C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000490063513 1114212763 /nfs/dbraw/zinc/21/27/63/1114212763.db2.gz GPTWHMDYVVZFDN-APWZRJJASA-N 1 1 365.477 4.213 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC(F)F)c1 ZINC000490176879 1114230434 /nfs/dbraw/zinc/23/04/34/1114230434.db2.gz SNGGIITYVCSKCX-UHFFFAOYSA-N 1 1 373.359 4.232 20 30 FIEDMO 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Cn1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490397881 1114286898 /nfs/dbraw/zinc/28/68/98/1114286898.db2.gz FTLZAQVCJAHIAC-UHFFFAOYSA-N 1 1 362.864 4.170 20 30 FIEDMO Cn1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490397881 1114286906 /nfs/dbraw/zinc/28/69/06/1114286906.db2.gz FTLZAQVCJAHIAC-UHFFFAOYSA-N 1 1 362.864 4.170 20 30 FIEDMO N#Cc1ccnc(N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)c1 ZINC000029447513 1114304019 /nfs/dbraw/zinc/30/40/19/1114304019.db2.gz MBFAKBWETYUULU-UHFFFAOYSA-N 1 1 368.893 4.144 20 30 FIEDMO CC(C)(C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000029712077 1114359790 /nfs/dbraw/zinc/35/97/90/1114359790.db2.gz HBTKQDZJRUXSLS-UHFFFAOYSA-N 1 1 368.550 4.020 20 30 FIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491089697 1114372051 /nfs/dbraw/zinc/37/20/51/1114372051.db2.gz MQDCLJHHCDPMKG-KRWDZBQOSA-N 1 1 374.488 4.030 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491182402 1114377466 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LRIIZDKYGNAOFO-UHFFFAOYSA-N 1 1 367.474 4.443 20 30 FIEDMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612124 1115553853 /nfs/dbraw/zinc/55/38/53/1115553853.db2.gz SBQHCPZVZMDJDL-UWJYYQICSA-N 1 1 363.461 4.001 20 30 FIEDMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612124 1115553854 /nfs/dbraw/zinc/55/38/54/1115553854.db2.gz SBQHCPZVZMDJDL-UWJYYQICSA-N 1 1 363.461 4.001 20 30 FIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000595614329 1115553861 /nfs/dbraw/zinc/55/38/61/1115553861.db2.gz KMKFQMNYABMIEF-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000595614329 1115553862 /nfs/dbraw/zinc/55/38/62/1115553862.db2.gz KMKFQMNYABMIEF-CYBMUJFWSA-N 1 1 360.255 4.230 20 30 FIEDMO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cscn1 ZINC000595669508 1115555945 /nfs/dbraw/zinc/55/59/45/1115555945.db2.gz VNYUPQCLQANTPM-LBPRGKRZSA-N 1 1 374.535 4.025 20 30 FIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000593113885 1115558661 /nfs/dbraw/zinc/55/86/61/1115558661.db2.gz XIQCPKFLDQCQPB-UHFFFAOYSA-N 1 1 361.323 4.264 20 30 FIEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595732161 1115559706 /nfs/dbraw/zinc/55/97/06/1115559706.db2.gz CQSFRAAJYDYTJP-QGZVFWFLSA-N 1 1 357.523 4.143 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595837701 1115564103 /nfs/dbraw/zinc/56/41/03/1115564103.db2.gz RQSXXLLQUULAMD-AEFFLSMTSA-N 1 1 371.550 4.389 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858606 1115564474 /nfs/dbraw/zinc/56/44/74/1115564474.db2.gz XUTKGTMRYVOTGF-IFFAKLHKSA-N 1 1 357.523 4.282 20 30 FIEDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(C#N)c1[N+](=O)[O-] ZINC000596146748 1115575811 /nfs/dbraw/zinc/57/58/11/1115575811.db2.gz PPXFQTVVTCMXKF-IFXJQAMLSA-N 1 1 370.478 4.331 20 30 FIEDMO COC1CCC(Nc2cc(C)[nH+]c(NC3CCC(OC)CC3)c2C#N)CC1 ZINC000596264179 1115582042 /nfs/dbraw/zinc/58/20/42/1115582042.db2.gz JVWPPLBBPRIYER-UHFFFAOYSA-N 1 1 372.513 4.001 20 30 FIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1OC(F)F ZINC000596979748 1115631482 /nfs/dbraw/zinc/63/14/82/1115631482.db2.gz NGKLBTQELUNWRM-UHFFFAOYSA-N 1 1 372.415 4.484 20 30 FIEDMO CC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000060469298 1115645177 /nfs/dbraw/zinc/64/51/77/1115645177.db2.gz QPSRNFGYTLSATN-KNQAVFIVSA-N 1 1 366.505 4.306 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000597290534 1115655618 /nfs/dbraw/zinc/65/56/18/1115655618.db2.gz OPGPOGLCYKSFQU-QFBILLFUSA-N 1 1 359.539 4.111 20 30 FIEDMO N#Cc1ccc(C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)nc1 ZINC000602909813 1115731727 /nfs/dbraw/zinc/73/17/27/1115731727.db2.gz BAYZIHRGIMUPFC-UHFFFAOYSA-N 1 1 350.447 4.049 20 30 FIEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)nc1 ZINC000602912198 1115733504 /nfs/dbraw/zinc/73/35/04/1115733504.db2.gz MCUWDUWEKIHSEQ-UHFFFAOYSA-N 1 1 350.447 4.049 20 30 FIEDMO CC[C@](C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1 ZINC000602923908 1115734275 /nfs/dbraw/zinc/73/42/75/1115734275.db2.gz LHNQOVBPFAWDBK-FQEVSTJZSA-N 1 1 350.397 4.162 20 30 FIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597942 1115739757 /nfs/dbraw/zinc/73/97/57/1115739757.db2.gz JXWWRQJXZXETAD-LPHOPBHVSA-N 1 1 354.498 4.055 20 30 FIEDMO N#Cc1ccc(N2CCC([NH2+][C@H](CCc3ccccc3)C(F)F)CC2)cc1 ZINC000598995203 1115777669 /nfs/dbraw/zinc/77/76/69/1115777669.db2.gz VVRLILXSSZUGME-OAQYLSRUSA-N 1 1 369.459 4.383 20 30 FIEDMO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000593685956 1115793608 /nfs/dbraw/zinc/79/36/08/1115793608.db2.gz BZEMNPCGPXDJFD-ICSRJNTNSA-N 1 1 366.436 4.357 20 30 FIEDMO CC(C)c1nc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593722108 1115804984 /nfs/dbraw/zinc/80/49/84/1115804984.db2.gz PNPBLNQTTZWHFN-MRXNPFEDSA-N 1 1 368.550 4.453 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CCOCC1 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BAOZGZYUZVBVFA-AWEZNQCLSA-N 1 1 355.869 4.091 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000063299751 1116039075 /nfs/dbraw/zinc/03/90/75/1116039075.db2.gz PCYZVNSAJDDFMO-UHFFFAOYSA-N 1 1 373.500 4.373 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000063299751 1116039077 /nfs/dbraw/zinc/03/90/77/1116039077.db2.gz PCYZVNSAJDDFMO-UHFFFAOYSA-N 1 1 373.500 4.373 20 30 FIEDMO COCCn1c(C)c(C)n(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1=S ZINC000063729615 1116101670 /nfs/dbraw/zinc/10/16/70/1116101670.db2.gz CAVRUYUPOGBLNL-UHFFFAOYSA-N 1 1 372.538 4.022 20 30 FIEDMO COCCn1c(C)c(C)n(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1=S ZINC000063729615 1116101672 /nfs/dbraw/zinc/10/16/72/1116101672.db2.gz CAVRUYUPOGBLNL-UHFFFAOYSA-N 1 1 372.538 4.022 20 30 FIEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(Cl)c1 ZINC000063751093 1116105813 /nfs/dbraw/zinc/10/58/13/1116105813.db2.gz QXBBFUFCSBWUMC-UHFFFAOYSA-N 1 1 355.869 4.369 20 30 FIEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(Cl)c1 ZINC000063751093 1116105814 /nfs/dbraw/zinc/10/58/14/1116105814.db2.gz QXBBFUFCSBWUMC-UHFFFAOYSA-N 1 1 355.869 4.369 20 30 FIEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nnc1-c1ccccc1C ZINC000534243985 1116175259 /nfs/dbraw/zinc/17/52/59/1116175259.db2.gz GYULKTYKWKJMSL-UHFFFAOYSA-N 1 1 353.495 4.127 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534861363 1116246404 /nfs/dbraw/zinc/24/64/04/1116246404.db2.gz WKCHKWZDNIECKV-QUCCMNQESA-N 1 1 370.880 4.080 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534861363 1116246405 /nfs/dbraw/zinc/24/64/05/1116246405.db2.gz WKCHKWZDNIECKV-QUCCMNQESA-N 1 1 370.880 4.080 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000534863236 1116246660 /nfs/dbraw/zinc/24/66/60/1116246660.db2.gz AXWSLJRCBIBTCE-GOSISDBHSA-N 1 1 353.491 4.046 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000534863236 1116246661 /nfs/dbraw/zinc/24/66/61/1116246661.db2.gz AXWSLJRCBIBTCE-GOSISDBHSA-N 1 1 353.491 4.046 20 30 FIEDMO C=C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000535372068 1116300099 /nfs/dbraw/zinc/30/00/99/1116300099.db2.gz UKDJQWKIESSQSY-OXQOHEQNSA-N 1 1 356.897 4.419 20 30 FIEDMO C[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000462260742 1116335473 /nfs/dbraw/zinc/33/54/73/1116335473.db2.gz ULYUMFZVWIRRQQ-RBUKOAKNSA-N 1 1 367.537 4.165 20 30 FIEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000539840301 1116389429 /nfs/dbraw/zinc/38/94/29/1116389429.db2.gz FNKLOFAQAKNZPO-UHFFFAOYSA-N 1 1 374.513 4.394 20 30 FIEDMO N#Cc1ccc2ncc(C[N@H+](CCc3cccc(F)c3)C3CCCC3)n2c1 ZINC000539908727 1117747138 /nfs/dbraw/zinc/74/71/38/1117747138.db2.gz IDZAVFWHZCCNNZ-UHFFFAOYSA-N 1 1 362.452 4.332 20 30 FIEDMO COc1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1OCCCC#N ZINC000462826657 1117789911 /nfs/dbraw/zinc/78/99/11/1117789911.db2.gz MXSYYPQNSXBDSQ-UHFFFAOYSA-N 1 1 354.425 4.116 20 30 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ZINC000542093516 1118790009 /nfs/dbraw/zinc/79/00/09/1118790009.db2.gz IRJCEXFWZKQLGK-FUHWJXTLSA-N 1 1 352.881 4.475 20 30 FIEDMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(C#N)cc1 ZINC000542318402 1118900590 /nfs/dbraw/zinc/90/05/90/1118900590.db2.gz RKXRQQWJXVYYAP-LBPRGKRZSA-N 1 1 372.259 4.297 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000122514024 1118912753 /nfs/dbraw/zinc/91/27/53/1118912753.db2.gz MUZWASAPVYPQMQ-JOCHJYFZSA-N 1 1 359.404 4.015 20 30 FIEDMO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000303504515 1118952215 /nfs/dbraw/zinc/95/22/15/1118952215.db2.gz ZHFOPHWSVJQVEU-UHFFFAOYSA-N 1 1 357.542 4.416 20 30 FIEDMO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000492205707 1119045493 /nfs/dbraw/zinc/04/54/93/1119045493.db2.gz BHLRPQKSUCFMLL-OAHLLOKOSA-N 1 1 362.296 4.190 20 30 FIEDMO C[C@H]([NH2+]C(C)(C)CNCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000152247710 1119172243 /nfs/dbraw/zinc/17/22/43/1119172243.db2.gz OSKYHNOBXXTKAT-IBGZPJMESA-N 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ZINC000613373255 1119800451 /nfs/dbraw/zinc/80/04/51/1119800451.db2.gz CYWQUULLUSTYOE-YJBOKZPZSA-N 1 1 361.432 4.126 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000613373255 1119800458 /nfs/dbraw/zinc/80/04/58/1119800458.db2.gz CYWQUULLUSTYOE-YJBOKZPZSA-N 1 1 361.432 4.126 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000494269566 1119816731 /nfs/dbraw/zinc/81/67/31/1119816731.db2.gz ZLZFMJYPGXDFLY-VKAVYKQESA-N 1 1 365.502 4.276 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000494269566 1119816735 /nfs/dbraw/zinc/81/67/35/1119816735.db2.gz ZLZFMJYPGXDFLY-VKAVYKQESA-N 1 1 365.502 4.276 20 30 FIEDMO C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000494267791 1119817021 /nfs/dbraw/zinc/81/70/21/1119817021.db2.gz JQDGALCJNIPPOL-BAJRHXEMSA-N 1 1 361.489 4.357 20 30 FIEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609195021 1119841280 /nfs/dbraw/zinc/84/12/80/1119841280.db2.gz 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C#CCOc1ccccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000761992478 1120639442 /nfs/dbraw/zinc/63/94/42/1120639442.db2.gz GLCTXXONAMYXBM-IBGZPJMESA-N 1 1 359.429 4.086 20 30 FIEDMO C[N@H+]1CC[C@H](C/N=C/c2cccc(O)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762438391 1120909163 /nfs/dbraw/zinc/90/91/63/1120909163.db2.gz ZCOKXONACUKMTK-WYUXGWHISA-N 1 1 362.832 4.002 20 30 FIEDMO C=CC[C@H]([NH2+][C@H](C)c1cc(Br)ncc1F)c1ccncc1 ZINC000762755636 1120958422 /nfs/dbraw/zinc/95/84/22/1120958422.db2.gz ATSUMDGXQREKAE-ABAIWWIYSA-N 1 1 350.235 4.346 20 30 FIEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000670201053 1120963493 /nfs/dbraw/zinc/96/34/93/1120963493.db2.gz RPUYRAIHSXNPCB-UYAOXDASSA-N 1 1 367.541 4.078 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000107073016 1121286870 /nfs/dbraw/zinc/28/68/70/1121286870.db2.gz VCICCMATAHQJMI-HZPDHXFCSA-N 1 1 355.507 4.050 20 30 FIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)cc1 ZINC000763232677 1121299757 /nfs/dbraw/zinc/29/97/57/1121299757.db2.gz AOANZWAITOBLJS-RBUKOAKNSA-N 1 1 371.278 4.191 20 30 FIEDMO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000064229338 1121515566 /nfs/dbraw/zinc/51/55/66/1121515566.db2.gz JIBGMUUEHWFVSB-UHFFFAOYSA-N 1 1 365.521 4.079 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000108358527 1121532180 /nfs/dbraw/zinc/53/21/80/1121532180.db2.gz VPXOGRTZMVQKRW-OAHLLOKOSA-N 1 1 357.523 4.284 20 30 FIEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl ZINC000488143132 1121563116 /nfs/dbraw/zinc/56/31/16/1121563116.db2.gz UBXFTOCMMCYPBS-KZULUSFZSA-N 1 1 374.271 4.321 20 30 FIEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)cc1 ZINC000763401821 1121574523 /nfs/dbraw/zinc/57/45/23/1121574523.db2.gz DGKJLIDNWBQDOZ-NRFANRHFSA-N 1 1 356.416 4.315 20 30 FIEDMO CCc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cc1 ZINC000075624491 1121973295 /nfs/dbraw/zinc/97/32/95/1121973295.db2.gz GCIDTLGAPHRHSP-UHFFFAOYSA-N 1 1 358.445 4.335 20 30 FIEDMO CCc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cc1 ZINC000075624491 1121973298 /nfs/dbraw/zinc/97/32/98/1121973298.db2.gz GCIDTLGAPHRHSP-UHFFFAOYSA-N 1 1 358.445 4.335 20 30 FIEDMO C=CC[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C(C)C ZINC000917071556 1122079095 /nfs/dbraw/zinc/07/90/95/1122079095.db2.gz VVSSEZQFRWXVKP-UHFFFAOYSA-N 1 1 350.506 4.221 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000054272447 1122166143 /nfs/dbraw/zinc/16/61/43/1122166143.db2.gz NTRUHUGOJQNANS-UHFFFAOYSA-N 1 1 358.869 4.365 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3CCCCC3)CC2)c(C#N)c1C ZINC000917134006 1122190787 /nfs/dbraw/zinc/19/07/87/1122190787.db2.gz LUVMVFUKSPAHKC-HNNXBMFYSA-N 1 1 357.498 4.387 20 30 FIEDMO COc1ccc([C@H]2C[C@@H]([N@@H+](CCC#N)Cc3ccccc3)CCO2)cc1 ZINC001168632330 1122227234 /nfs/dbraw/zinc/22/72/34/1122227234.db2.gz ZQISFJOTFJWFJZ-RBBKRZOGSA-N 1 1 350.462 4.331 20 30 FIEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000497584563 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ZINC000093606355 1125453675 /nfs/dbraw/zinc/45/36/75/1125453675.db2.gz WQEULBWDRBXZKR-VGOFRKELSA-N 1 1 368.452 4.470 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000016475155 220185552 /nfs/dbraw/zinc/18/55/52/220185552.db2.gz JJRUYWSMWZEJLQ-GASCZTMLSA-N 1 1 359.539 4.195 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000053157765 221043049 /nfs/dbraw/zinc/04/30/49/221043049.db2.gz QVOLGDQCGJKESE-INIZCTEOSA-N 1 1 359.882 4.439 20 30 FIEDMO CCCCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105743331 222374610 /nfs/dbraw/zinc/37/46/10/222374610.db2.gz NWWSCHLFIPXFAD-UHFFFAOYSA-N 1 1 355.526 4.343 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000110006903 222476054 /nfs/dbraw/zinc/47/60/54/222476054.db2.gz OOGOLTGDVJEFOV-GOSISDBHSA-N 1 1 362.408 4.127 20 30 FIEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCCC1)CCC2 ZINC000063522920 567982926 /nfs/dbraw/zinc/98/29/26/567982926.db2.gz XGYSJZUAOKAVGO-GOSISDBHSA-N 1 1 371.550 4.482 20 30 FIEDMO CC[C@@H](C[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC000481769990 568119493 /nfs/dbraw/zinc/11/94/93/568119493.db2.gz VYMNHEZMCFYSDJ-KRWDZBQOSA-N 1 1 353.466 4.222 20 30 FIEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C3CCCCC3)sc2C1 ZINC000568792608 568216829 /nfs/dbraw/zinc/21/68/29/568216829.db2.gz ROYQEZWTEMZGQF-CQSZACIVSA-N 1 1 359.539 4.338 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000302836687 568239027 /nfs/dbraw/zinc/23/90/27/568239027.db2.gz HZQDIZBXFWKPLI-INIZCTEOSA-N 1 1 355.869 4.107 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000302836687 568239028 /nfs/dbraw/zinc/23/90/28/568239028.db2.gz HZQDIZBXFWKPLI-INIZCTEOSA-N 1 1 355.869 4.107 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000302836688 568239035 /nfs/dbraw/zinc/23/90/35/568239035.db2.gz HZQDIZBXFWKPLI-MRXNPFEDSA-N 1 1 355.869 4.107 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000302836688 568239036 /nfs/dbraw/zinc/23/90/36/568239036.db2.gz HZQDIZBXFWKPLI-MRXNPFEDSA-N 1 1 355.869 4.107 20 30 FIEDMO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000570439975 568476690 /nfs/dbraw/zinc/47/66/90/568476690.db2.gz OPUZHGKLNBWRIV-JKSUJKDBSA-N 1 1 358.445 4.441 20 30 FIEDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1C#N ZINC001164628542 719111616 /nfs/dbraw/zinc/11/16/16/719111616.db2.gz NLSRJYLWRKQJGW-XLIONFOSSA-N 1 1 366.896 4.016 20 30 FIEDMO C=CC[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001165032380 721870319 /nfs/dbraw/zinc/87/03/19/721870319.db2.gz PFOIQFZCEYZYEN-UHFFFAOYSA-N 1 1 370.909 4.320 20 30 FIEDMO N#Cc1cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000312965389 1125519148 /nfs/dbraw/zinc/51/91/48/1125519148.db2.gz UOWOIOPTOLIWFT-SFHVURJKSA-N 1 1 364.449 4.181 20 30 FIEDMO C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619755086 1125680590 /nfs/dbraw/zinc/68/05/90/1125680590.db2.gz SQSIGQZOWQFTFN-UZLBHIALSA-N 1 1 353.897 4.212 20 30 FIEDMO C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619755086 1125680596 /nfs/dbraw/zinc/68/05/96/1125680596.db2.gz SQSIGQZOWQFTFN-UZLBHIALSA-N 1 1 353.897 4.212 20 30 FIEDMO C[NH+](C)C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619823382 1125710136 /nfs/dbraw/zinc/71/01/36/1125710136.db2.gz YWXBMJHHGWDRIY-SFTDATJTSA-N 1 1 353.897 4.482 20 30 FIEDMO CC(C)[N@H+](Cc1ccc(NC[C@H](C#N)CCC#N)cc1)C[C@@H]1CCCCO1 ZINC000579704846 1079562443 /nfs/dbraw/zinc/56/24/43/1079562443.db2.gz GGJXBAHTXKOSNZ-UNMCSNQZSA-N 1 1 368.525 4.322 20 30 FIEDMO CCCCCCCCNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001266263786 1079611081 /nfs/dbraw/zinc/61/10/81/1079611081.db2.gz XGNAQOZNLFAGNA-KDURUIRLSA-N 1 1 360.542 4.386 20 30 FIEDMO CCCCCCCCNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001266263786 1079611085 /nfs/dbraw/zinc/61/10/85/1079611085.db2.gz XGNAQOZNLFAGNA-KDURUIRLSA-N 1 1 360.542 4.386 20 30 FIEDMO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000610216724 1079994077 /nfs/dbraw/zinc/99/40/77/1079994077.db2.gz LBRCKNNKWBJPCW-INIZCTEOSA-N 1 1 367.880 4.033 20 30 FIEDMO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000610216724 1079994080 /nfs/dbraw/zinc/99/40/80/1079994080.db2.gz LBRCKNNKWBJPCW-INIZCTEOSA-N 1 1 367.880 4.033 20 30 FIEDMO C[N@@H+](CCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000547732392 1080296533 /nfs/dbraw/zinc/29/65/33/1080296533.db2.gz RFIFDKHNSAHGAG-QGZVFWFLSA-N 1 1 367.415 4.041 20 30 FIEDMO CC[N@H+](Cc1cc(Br)cnc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001167131708 1080662044 /nfs/dbraw/zinc/66/20/44/1080662044.db2.gz RFADSPBNEADAAO-CYBMUJFWSA-N 1 1 374.282 4.307 20 30 FIEDMO CC[N@@H+](Cc1cc(Br)cnc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001167131708 1080662050 /nfs/dbraw/zinc/66/20/50/1080662050.db2.gz RFADSPBNEADAAO-CYBMUJFWSA-N 1 1 374.282 4.307 20 30 FIEDMO C=CCOc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000118811340 1080680301 /nfs/dbraw/zinc/68/03/01/1080680301.db2.gz VBZXKVXZXJFZRK-OALUTQOASA-N 1 1 371.525 4.370 20 30 FIEDMO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCCC1 ZINC001125323865 1080781334 /nfs/dbraw/zinc/78/13/34/1080781334.db2.gz RQTRQRZMORSWIR-UHFFFAOYSA-N 1 1 355.457 4.463 20 30 FIEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c1C#N ZINC000535965855 1081045666 /nfs/dbraw/zinc/04/56/66/1081045666.db2.gz OZJGQBZVGFERPJ-IBGZPJMESA-N 1 1 354.425 4.361 20 30 FIEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccco2)cc1OCC ZINC000070982193 1081085740 /nfs/dbraw/zinc/08/57/40/1081085740.db2.gz ZOUTVNCUVMJODS-UHFFFAOYSA-N 1 1 366.255 4.295 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2c(Cl)nc3sccn23)cc1 ZINC000255078072 1081106031 /nfs/dbraw/zinc/10/60/31/1081106031.db2.gz BHLKLDGVYYPQJN-SREVYHEPSA-N 1 1 368.849 4.439 20 30 FIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000247239080 1081203800 /nfs/dbraw/zinc/20/38/00/1081203800.db2.gz WRVNBJPRXBLMTO-PMACEKPBSA-N 1 1 369.534 4.186 20 30 FIEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177654634 1081440808 /nfs/dbraw/zinc/44/08/08/1081440808.db2.gz AODIQYCFHNMELC-MRXNPFEDSA-N 1 1 352.482 4.117 20 30 FIEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177654634 1081440812 /nfs/dbraw/zinc/44/08/12/1081440812.db2.gz AODIQYCFHNMELC-MRXNPFEDSA-N 1 1 352.482 4.117 20 30 FIEDMO C=CCOc1ccccc1-c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656039022 1081491767 /nfs/dbraw/zinc/49/17/67/1081491767.db2.gz JYYYNIVCZRGTTQ-UHFFFAOYSA-N 1 1 352.438 4.138 20 30 FIEDMO CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000580221705 1081757680 /nfs/dbraw/zinc/75/76/80/1081757680.db2.gz XLVPCBBNBZRNIN-KRWDZBQOSA-N 1 1 359.477 4.339 20 30 FIEDMO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177739991 1081784356 /nfs/dbraw/zinc/78/43/56/1081784356.db2.gz OYCDLKLVDHISOU-ZWKOTPCHSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177739991 1081784367 /nfs/dbraw/zinc/78/43/67/1081784367.db2.gz OYCDLKLVDHISOU-ZWKOTPCHSA-N 1 1 368.481 4.024 20 30 FIEDMO C=CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCCCC1 ZINC001167387185 1081910832 /nfs/dbraw/zinc/91/08/32/1081910832.db2.gz PNDHWRPJHANXRH-HXUWFJFHSA-N 1 1 355.526 4.082 20 30 FIEDMO C=CC[N@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)CC1CCCCC1 ZINC001167392633 1081924602 /nfs/dbraw/zinc/92/46/02/1081924602.db2.gz VMWWUOIXLLVKHW-SDNWHVSQSA-N 1 1 357.494 4.320 20 30 FIEDMO CCCN(C(=O)c1cc(C#N)cs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000084091479 1082249250 /nfs/dbraw/zinc/24/92/50/1082249250.db2.gz VSWLFCRJZLTIJE-IBGZPJMESA-N 1 1 367.518 4.137 20 30 FIEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000561287036 1082255943 /nfs/dbraw/zinc/25/59/43/1082255943.db2.gz SLFWFBHXZAEJEI-QZTJIDSGSA-N 1 1 373.863 4.085 20 30 FIEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000561287036 1082255947 /nfs/dbraw/zinc/25/59/47/1082255947.db2.gz SLFWFBHXZAEJEI-QZTJIDSGSA-N 1 1 373.863 4.085 20 30 FIEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000656457499 1082424634 /nfs/dbraw/zinc/42/46/34/1082424634.db2.gz NQFDDIAGDDXTBG-FYYLOGMGSA-N 1 1 358.489 4.415 20 30 FIEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001167458484 1082532332 /nfs/dbraw/zinc/53/23/32/1082532332.db2.gz VBYMWLDOWAMCNY-DYESRHJHSA-N 1 1 355.526 4.451 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001167463789 1082584473 /nfs/dbraw/zinc/58/44/73/1082584473.db2.gz BIZWDGXDSNEKDZ-VAMGGRTRSA-N 1 1 369.509 4.158 20 30 FIEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001167463789 1082584478 /nfs/dbraw/zinc/58/44/78/1082584478.db2.gz BIZWDGXDSNEKDZ-VAMGGRTRSA-N 1 1 369.509 4.158 20 30 FIEDMO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)c1C#N ZINC001167473263 1082703001 /nfs/dbraw/zinc/70/30/01/1082703001.db2.gz HTHOAUKMRXXKJW-LJQANCHMSA-N 1 1 352.434 4.364 20 30 FIEDMO COC(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)c1C#N ZINC001167473263 1082703006 /nfs/dbraw/zinc/70/30/06/1082703006.db2.gz HTHOAUKMRXXKJW-LJQANCHMSA-N 1 1 352.434 4.364 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000051180611 1082831343 /nfs/dbraw/zinc/83/13/43/1082831343.db2.gz VJUSIWBUTBOONR-JOCHJYFZSA-N 1 1 361.489 4.387 20 30 FIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC001203402824 1082859331 /nfs/dbraw/zinc/85/93/31/1082859331.db2.gz FNYDUAXUYQAZPG-LJQANCHMSA-N 1 1 350.865 4.012 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000612121415 1083400955 /nfs/dbraw/zinc/40/09/55/1083400955.db2.gz YGALTLZQEGKBEZ-HXUWFJFHSA-N 1 1 363.509 4.298 20 30 FIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000612121415 1083400958 /nfs/dbraw/zinc/40/09/58/1083400958.db2.gz YGALTLZQEGKBEZ-HXUWFJFHSA-N 1 1 363.509 4.298 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1 ZINC000612121415 1083400962 /nfs/dbraw/zinc/40/09/62/1083400962.db2.gz YGALTLZQEGKBEZ-HXUWFJFHSA-N 1 1 363.509 4.298 20 30 FIEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000612164068 1083474314 /nfs/dbraw/zinc/47/43/14/1083474314.db2.gz XRJKHUIVJYBSNR-QFIPXVFZSA-N 1 1 363.461 4.433 20 30 FIEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000612164068 1083474324 /nfs/dbraw/zinc/47/43/24/1083474324.db2.gz XRJKHUIVJYBSNR-QFIPXVFZSA-N 1 1 363.461 4.433 20 30 FIEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177160966 1083691030 /nfs/dbraw/zinc/69/10/30/1083691030.db2.gz TXXJKUNSTIXAOJ-HXUWFJFHSA-N 1 1 350.393 4.026 20 30 FIEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177160966 1083691038 /nfs/dbraw/zinc/69/10/38/1083691038.db2.gz TXXJKUNSTIXAOJ-HXUWFJFHSA-N 1 1 350.393 4.026 20 30 FIEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000610812799 1083724967 /nfs/dbraw/zinc/72/49/67/1083724967.db2.gz RTJDUYLIOXJVDT-QGZVFWFLSA-N 1 1 352.331 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N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189387545 1088473275 /nfs/dbraw/zinc/47/32/75/1088473275.db2.gz BIYSRGQEVOYEIZ-UHFFFAOYSA-N 1 1 374.897 4.013 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189387545 1088473282 /nfs/dbraw/zinc/47/32/82/1088473282.db2.gz BIYSRGQEVOYEIZ-UHFFFAOYSA-N 1 1 374.897 4.013 20 30 FIEDMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C#N)cc2)cc1 ZINC000181433042 1088535421 /nfs/dbraw/zinc/53/54/21/1088535421.db2.gz NHRJDPCIXYRIST-UHFFFAOYSA-N 1 1 374.488 4.246 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000190007938 1088743608 /nfs/dbraw/zinc/74/36/08/1088743608.db2.gz OQDRSMWNTMNOBD-JXFKEZNVSA-N 1 1 357.461 4.284 20 30 FIEDMO CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000434724886 1088976132 /nfs/dbraw/zinc/97/61/32/1088976132.db2.gz GSFAQPGLDNJFMV-CQSZACIVSA-N 1 1 357.404 4.248 20 30 FIEDMO Cc1ccc([C@]2(C)CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc1 ZINC000434741234 1089010919 /nfs/dbraw/zinc/01/09/19/1089010919.db2.gz CQRRIHXVPAQMQW-JOCHJYFZSA-N 1 1 358.445 4.080 20 30 FIEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000514348973 1089027489 /nfs/dbraw/zinc/02/74/89/1089027489.db2.gz PMUFHRQRXIMAEP-RTWAWAEBSA-N 1 1 355.453 4.131 20 30 FIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000434909526 1089130388 /nfs/dbraw/zinc/13/03/88/1089130388.db2.gz NMXMMDHHJCNWCB-HSZRJFAPSA-N 1 1 361.489 4.232 20 30 FIEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000434976173 1089178003 /nfs/dbraw/zinc/17/80/03/1089178003.db2.gz APNMJNXPSJMONN-XMMPIXPASA-N 1 1 368.484 4.131 20 30 FIEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514621493 1089275937 /nfs/dbraw/zinc/27/59/37/1089275937.db2.gz PTXOYPIGRIQDKY-ZHALLVOQSA-N 1 1 365.880 4.059 20 30 FIEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514621493 1089275943 /nfs/dbraw/zinc/27/59/43/1089275943.db2.gz PTXOYPIGRIQDKY-ZHALLVOQSA-N 1 1 365.880 4.059 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000514683875 1089336907 /nfs/dbraw/zinc/33/69/07/1089336907.db2.gz KRQSUZZEWAPJBY-NJDAHSKKSA-N 1 1 354.881 4.015 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000514941885 1089648347 /nfs/dbraw/zinc/64/83/47/1089648347.db2.gz JWVUKGLSLNZRIM-INIZCTEOSA-N 1 1 353.447 4.081 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425410600 1089956278 /nfs/dbraw/zinc/95/62/78/1089956278.db2.gz CMZDYFMKIJTMSV-CEXWTWQISA-N 1 1 370.541 4.019 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187838991 1090068385 /nfs/dbraw/zinc/06/83/85/1090068385.db2.gz WAHAMWNUHMQZKT-INIZCTEOSA-N 1 1 365.399 4.240 20 30 FIEDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)n1 ZINC000181600408 1090374392 /nfs/dbraw/zinc/37/43/92/1090374392.db2.gz SJNUUEFDWZUPFQ-BZNIZROVSA-N 1 1 374.897 4.045 20 30 FIEDMO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)ccc1OC ZINC000186028868 1090604177 /nfs/dbraw/zinc/60/41/77/1090604177.db2.gz PZOGJTFPXDKYHH-BBRMVZONSA-N 1 1 358.413 4.072 20 30 FIEDMO N#Cc1sccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125897541 1090654894 /nfs/dbraw/zinc/65/48/94/1090654894.db2.gz ZLQBIWNRNVTZTA-INIZCTEOSA-N 1 1 373.909 4.058 20 30 FIEDMO N#Cc1sccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125897541 1090654911 /nfs/dbraw/zinc/65/49/11/1090654911.db2.gz ZLQBIWNRNVTZTA-INIZCTEOSA-N 1 1 373.909 4.058 20 30 FIEDMO N#CC1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC1 ZINC000418135113 1091075212 /nfs/dbraw/zinc/07/52/12/1091075212.db2.gz AAFKFJMJYOBOEE-UHFFFAOYSA-N 1 1 353.853 4.376 20 30 FIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(O)ccc1Br ZINC000418152188 1091081275 /nfs/dbraw/zinc/08/12/75/1091081275.db2.gz YFGDRDDJNNMCLA-GOSISDBHSA-N 1 1 357.251 4.194 20 30 FIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(O)c1Br ZINC000418148841 1091083932 /nfs/dbraw/zinc/08/39/32/1091083932.db2.gz UERRAEMHVLDRST-MRXNPFEDSA-N 1 1 357.251 4.194 20 30 FIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000123625433 1091194155 /nfs/dbraw/zinc/19/41/55/1091194155.db2.gz WVKRQTRAUSPRGG-NJNPRVFISA-N 1 1 370.541 4.229 20 30 FIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000123625433 1091194164 /nfs/dbraw/zinc/19/41/64/1091194164.db2.gz WVKRQTRAUSPRGG-NJNPRVFISA-N 1 1 370.541 4.229 20 30 FIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000123624875 1091195129 /nfs/dbraw/zinc/19/51/29/1091195129.db2.gz WVKRQTRAUSPRGG-SVMVAKDDSA-N 1 1 370.541 4.229 20 30 FIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000123624875 1091195132 /nfs/dbraw/zinc/19/51/32/1091195132.db2.gz WVKRQTRAUSPRGG-SVMVAKDDSA-N 1 1 370.541 4.229 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000511665259 1091517479 /nfs/dbraw/zinc/51/74/79/1091517479.db2.gz IVRSAAAIARKKHS-ICSRJNTNSA-N 1 1 374.406 4.218 20 30 FIEDMO Clc1cccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511757279 1091621998 /nfs/dbraw/zinc/62/19/98/1091621998.db2.gz OJEGURQZDJSTPE-BHIFYINESA-N 1 1 351.877 4.196 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512188280 1091794944 /nfs/dbraw/zinc/79/49/44/1091794944.db2.gz XUJITANIDRPFRG-QGZVFWFLSA-N 1 1 365.260 4.087 20 30 FIEDMO N#CCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)CC1CC1 ZINC000728904413 1091866448 /nfs/dbraw/zinc/86/64/48/1091866448.db2.gz BPIQMCQIRVDGIK-UHFFFAOYSA-N 1 1 359.267 4.434 20 30 FIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1(c2ccccc2)CC1 ZINC000279478349 1091905048 /nfs/dbraw/zinc/90/50/48/1091905048.db2.gz WNENWJLSXFZQSM-UHFFFAOYSA-N 1 1 371.488 4.022 20 30 FIEDMO C[N@@H+](Cc1ccc(Cl)s1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279505212 1091912139 /nfs/dbraw/zinc/91/21/39/1091912139.db2.gz ZSMVVNJUGDLDTM-UHFFFAOYSA-N 1 1 371.897 4.206 20 30 FIEDMO C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1F ZINC000512276920 1092000694 /nfs/dbraw/zinc/00/06/94/1092000694.db2.gz AQHARZADSSBUBB-IXDOHACOSA-N 1 1 367.468 4.480 20 30 FIEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512288575 1092011035 /nfs/dbraw/zinc/01/10/35/1092011035.db2.gz NURYNXAPMNNIGA-WDEREUQCSA-N 1 1 368.378 4.485 20 30 FIEDMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C#N)CCC#N)CCC3)cc1 ZINC000520798677 1092241750 /nfs/dbraw/zinc/24/17/50/1092241750.db2.gz ZOXNCNFSDXSFLS-WMLDXEAASA-N 1 1 366.490 4.229 20 30 FIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](OC(C)C)c1ccccc1 ZINC000428210871 1092265427 /nfs/dbraw/zinc/26/54/27/1092265427.db2.gz URIYXCUBKGUQLQ-QFIPXVFZSA-N 1 1 352.478 4.173 20 30 FIEDMO COc1cccc(C[N@H+](Cc2cccc(F)c2C#N)C2CCC(O)CC2)c1 ZINC000428212948 1092267010 /nfs/dbraw/zinc/26/70/10/1092267010.db2.gz PPXLJVCKUQKXNN-UHFFFAOYSA-N 1 1 368.452 4.012 20 30 FIEDMO COc1cccc(C[N@@H+](Cc2cccc(F)c2C#N)C2CCC(O)CC2)c1 ZINC000428212948 1092267023 /nfs/dbraw/zinc/26/70/23/1092267023.db2.gz PPXLJVCKUQKXNN-UHFFFAOYSA-N 1 1 368.452 4.012 20 30 FIEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000500603617 1092271561 /nfs/dbraw/zinc/27/15/61/1092271561.db2.gz CVLBJWYLJHRQTF-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccc(F)c3C#N)C2)s1 ZINC000572606113 1092420063 /nfs/dbraw/zinc/42/00/63/1092420063.db2.gz FMVQQYSXJSVGJF-INIZCTEOSA-N 1 1 357.498 4.021 20 30 FIEDMO C=CC1CC[NH+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000429826640 1092466811 /nfs/dbraw/zinc/46/68/11/1092466811.db2.gz PIXHAQQJGITEDU-UHFFFAOYSA-N 1 1 369.534 4.339 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1Cl ZINC000500760396 1092515652 /nfs/dbraw/zinc/51/56/52/1092515652.db2.gz ZEXLYJPKEGZLIR-UHFFFAOYSA-N 1 1 371.868 4.069 20 30 FIEDMO C=C(C)C[N@@H+](CCC(=O)c1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512542588 1092740857 /nfs/dbraw/zinc/74/08/57/1092740857.db2.gz RIQNNCPMTKZCLE-UHFFFAOYSA-N 1 1 355.482 4.124 20 30 FIEDMO C=C(C)C[N@H+](CCC(=O)c1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512542588 1092740865 /nfs/dbraw/zinc/74/08/65/1092740865.db2.gz RIQNNCPMTKZCLE-UHFFFAOYSA-N 1 1 355.482 4.124 20 30 FIEDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840041 /nfs/dbraw/zinc/84/00/41/1092840041.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 1 1 363.505 4.052 20 30 FIEDMO CC(C)C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000521822222 1092940078 /nfs/dbraw/zinc/94/00/78/1092940078.db2.gz FQODCENHEICTOO-UHFFFAOYSA-N 1 1 355.869 4.308 20 30 FIEDMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627548 1093027051 /nfs/dbraw/zinc/02/70/51/1093027051.db2.gz AMJTTWHLZSBEJJ-YYFZDKIDSA-N 1 1 357.498 4.493 20 30 FIEDMO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(C#N)cc1F ZINC000512627548 1093027065 /nfs/dbraw/zinc/02/70/65/1093027065.db2.gz AMJTTWHLZSBEJJ-YYFZDKIDSA-N 1 1 357.498 4.493 20 30 FIEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(C#N)cc1F ZINC000512629077 1093045685 /nfs/dbraw/zinc/04/56/85/1093045685.db2.gz HLDKGBHAQIQKAQ-SCLBCKFNSA-N 1 1 371.843 4.197 20 30 FIEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000512655855 1093091523 /nfs/dbraw/zinc/09/15/23/1093091523.db2.gz WXUJAGYQJRXWRP-AOMKIAJQSA-N 1 1 369.484 4.440 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1cccc(Cl)c1 ZINC000512717533 1093193965 /nfs/dbraw/zinc/19/39/65/1093193965.db2.gz ZHXUWTRZYJERQX-NRFANRHFSA-N 1 1 371.912 4.409 20 30 FIEDMO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000151631298 1093263229 /nfs/dbraw/zinc/26/32/29/1093263229.db2.gz GFRNFUSBLAXXRQ-UNMCSNQZSA-N 1 1 374.488 4.077 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000429851899 1093280960 /nfs/dbraw/zinc/28/09/60/1093280960.db2.gz MAHNXRLTFHLAIP-OAHLLOKOSA-N 1 1 369.534 4.466 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411486424 1093330467 /nfs/dbraw/zinc/33/04/67/1093330467.db2.gz 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C[NH+](C)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1Cl ZINC000474214306 1093587406 /nfs/dbraw/zinc/58/74/06/1093587406.db2.gz ROOONSHJWGUQNM-XLIONFOSSA-N 1 1 369.896 4.146 20 30 FIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000513056696 1093709924 /nfs/dbraw/zinc/70/99/24/1093709924.db2.gz KJLXEUAGZRLMFC-QFIPXVFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C=CCOc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000513056696 1093709929 /nfs/dbraw/zinc/70/99/29/1093709929.db2.gz KJLXEUAGZRLMFC-QFIPXVFZSA-N 1 1 365.452 4.345 20 30 FIEDMO C[N@H+]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)[C@@H]1c1ccccc1 ZINC000895787135 1093716274 /nfs/dbraw/zinc/71/62/74/1093716274.db2.gz KOAQUFLHENLUGC-SFTDATJTSA-N 1 1 363.461 4.001 20 30 FIEDMO COc1ccc(Cl)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000482862560 1093718035 /nfs/dbraw/zinc/71/80/35/1093718035.db2.gz YTMXKUYFBIRECD-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO C=CC[C@@H](C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1)c1ccccc1 ZINC000614384419 1093797699 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355.507 4.485 20 30 FIEDMO COC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000537178122 1101520606 /nfs/dbraw/zinc/52/06/06/1101520606.db2.gz OBAXDBGFYLUZOD-GOSISDBHSA-N 1 1 367.342 4.053 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000179822034 1101567755 /nfs/dbraw/zinc/56/77/55/1101567755.db2.gz UPPQEIHAXNXRJT-GCJKJVERSA-N 1 1 364.493 4.087 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426449479 1101641356 /nfs/dbraw/zinc/64/13/56/1101641356.db2.gz USKRIKDAYANWKQ-KDOFPFPSSA-N 1 1 367.518 4.301 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426449479 1101641362 /nfs/dbraw/zinc/64/13/62/1101641362.db2.gz USKRIKDAYANWKQ-KDOFPFPSSA-N 1 1 367.518 4.301 20 30 FIEDMO C=CCc1cc(C[N@H+](Cc2ccc(OC)cc2)C2CC2)cc(OC)c1O ZINC000506744215 1101980620 /nfs/dbraw/zinc/98/06/20/1101980620.db2.gz PSONSKTVFBWNMP-UHFFFAOYSA-N 1 1 353.462 4.303 20 30 FIEDMO 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FIEDMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507232018 1103226136 /nfs/dbraw/zinc/22/61/36/1103226136.db2.gz NHSIIPWCXNLDJT-UHFFFAOYSA-N 1 1 366.415 4.271 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507276432 1103262831 /nfs/dbraw/zinc/26/28/31/1103262831.db2.gz WWEUJXHVAUJICQ-JPYJTQIMSA-N 1 1 363.505 4.228 20 30 FIEDMO COCC[N@@H+](C/C(C)=C/c1ccccc1COC)Cc1ccc(C#N)cc1 ZINC000507397627 1103351066 /nfs/dbraw/zinc/35/10/66/1103351066.db2.gz BNCOCLJVZIQYHC-XMHGGMMESA-N 1 1 364.489 4.257 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1OC ZINC000507712502 1103650297 /nfs/dbraw/zinc/65/02/97/1103650297.db2.gz CVNMIFCQGKPDLD-IBGZPJMESA-N 1 1 353.462 4.161 20 30 FIEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477634049 1103758881 /nfs/dbraw/zinc/75/88/81/1103758881.db2.gz AOAHWPWXFSAZQZ-OAQYLSRUSA-N 1 1 360.461 4.051 20 30 FIEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000477728937 1103822260 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FIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(F)cc1Br)CC2 ZINC000520293871 1104239647 /nfs/dbraw/zinc/23/96/47/1104239647.db2.gz KGZVOCBPXWMIRV-QGZVFWFLSA-N 1 1 363.205 4.376 20 30 FIEDMO COCc1nc(C[NH2+]Cc2cc(C#N)cs2)c(-c2ccccc2)s1 ZINC000441376184 1104316119 /nfs/dbraw/zinc/31/61/19/1104316119.db2.gz CUNDIIUFSJECEE-UHFFFAOYSA-N 1 1 355.488 4.179 20 30 FIEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441388760 1104324537 /nfs/dbraw/zinc/32/45/37/1104324537.db2.gz VAQVONSOMDWZJL-FQEVSTJZSA-N 1 1 358.445 4.124 20 30 FIEDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000328613868 1104521602 /nfs/dbraw/zinc/52/16/02/1104521602.db2.gz QRMXGLGRZVHOMH-MCIONIFRSA-N 1 1 372.435 4.143 20 30 FIEDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000328613868 1104521609 /nfs/dbraw/zinc/52/16/09/1104521609.db2.gz QRMXGLGRZVHOMH-MCIONIFRSA-N 1 1 372.435 4.143 20 30 FIEDMO CCc1cccc(NC(=O)CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328659245 1104527256 /nfs/dbraw/zinc/52/72/56/1104527256.db2.gz SJHFAONCTOCRCZ-SFHVURJKSA-N 1 1 366.509 4.249 20 30 FIEDMO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328719322 1104533545 /nfs/dbraw/zinc/53/35/45/1104533545.db2.gz VLJBYFQRXGQGPO-MJGOQNOKSA-N 1 1 368.868 4.275 20 30 FIEDMO Cc1nc2c(cccc2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328719322 1104533548 /nfs/dbraw/zinc/53/35/48/1104533548.db2.gz VLJBYFQRXGQGPO-MJGOQNOKSA-N 1 1 368.868 4.275 20 30 FIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000328738569 1104545349 /nfs/dbraw/zinc/54/53/49/1104545349.db2.gz MEZSEVKUFVELGQ-WCJMXFJFSA-N 1 1 370.537 4.356 20 30 FIEDMO O=C(CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1c(Cl)cccc1Cl ZINC000328775369 1104556624 /nfs/dbraw/zinc/55/66/24/1104556624.db2.gz HXWYDOWDVAEHNT-ZWNOBZJWSA-N 1 1 356.253 4.022 20 30 FIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000328844168 1104576483 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Cc1cccc2c1CC(C)(C)[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000451257458 1106993311 /nfs/dbraw/zinc/99/33/11/1106993311.db2.gz CUZPENAKIKTNKD-UHFFFAOYSA-N 1 1 358.445 4.254 20 30 FIEDMO N#CC(CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000451694340 1107253326 /nfs/dbraw/zinc/25/33/26/1107253326.db2.gz BKGLSRFTWNPWFO-LGVFNWMJSA-N 1 1 374.528 4.369 20 30 FIEDMO C=CCC1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000451704118 1107261908 /nfs/dbraw/zinc/26/19/08/1107261908.db2.gz KAMYQUGORFRHRI-QFIPXVFZSA-N 1 1 352.522 4.248 20 30 FIEDMO C=CCC1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CCCC1 ZINC000451891844 1107363527 /nfs/dbraw/zinc/36/35/27/1107363527.db2.gz AKYRBZQJRBROBB-LJQANCHMSA-N 1 1 352.478 4.363 20 30 FIEDMO C=CCc1cc(OC)cc(C[N@H+](C)Cc2nc3ccccc3s2)c1O ZINC000302798580 1107448681 /nfs/dbraw/zinc/44/86/81/1107448681.db2.gz CWEZLXKSYGYEQZ-UHFFFAOYSA-N 1 1 354.475 4.371 20 30 FIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2nc3ccccc3s2)c1O ZINC000302798580 1107448686 /nfs/dbraw/zinc/44/86/86/1107448686.db2.gz CWEZLXKSYGYEQZ-UHFFFAOYSA-N 1 1 354.475 4.371 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000452107285 1107477237 /nfs/dbraw/zinc/47/72/37/1107477237.db2.gz AVAHWDVOWQBIRB-UHFFFAOYSA-N 1 1 359.823 4.060 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000452107285 1107477241 /nfs/dbraw/zinc/47/72/41/1107477241.db2.gz AVAHWDVOWQBIRB-UHFFFAOYSA-N 1 1 359.823 4.060 20 30 FIEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC001168067781 1107523804 /nfs/dbraw/zinc/52/38/04/1107523804.db2.gz KTACMZQZLKHNSD-LJQANCHMSA-N 1 1 369.896 4.493 20 30 FIEDMO CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000444406289 1107557273 /nfs/dbraw/zinc/55/72/73/1107557273.db2.gz WMTAKCGJFCRFSY-UWJYYQICSA-N 1 1 362.477 4.248 20 30 FIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000531202326 1107646436 /nfs/dbraw/zinc/64/64/36/1107646436.db2.gz HGBKIQKJVVQDKR-QHCPKHFHSA-N 1 1 372.472 4.453 20 30 FIEDMO CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc(C#N)c1 ZINC000531281092 1107717220 /nfs/dbraw/zinc/71/72/20/1107717220.db2.gz FFUBESAQFNUCOE-UHFFFAOYSA-N 1 1 369.468 4.223 20 30 FIEDMO N#Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531321407 1107765928 /nfs/dbraw/zinc/76/59/28/1107765928.db2.gz MZSSKMUXUYNISU-QHCPKHFHSA-N 1 1 374.488 4.078 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000444642886 1108060523 /nfs/dbraw/zinc/06/05/23/1108060523.db2.gz BAXZGWQVGKVYHV-IBGZPJMESA-N 1 1 356.514 4.383 20 30 FIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000444642890 1108060747 /nfs/dbraw/zinc/06/07/47/1108060747.db2.gz BAXZGWQVGKVYHV-LJQANCHMSA-N 1 1 356.514 4.383 20 30 FIEDMO N#CC(CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000444667055 1108069996 /nfs/dbraw/zinc/06/99/96/1108069996.db2.gz XYTFEHLBSOVXBR-NHCUHLMSSA-N 1 1 360.501 4.245 20 30 FIEDMO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000531698604 1108077509 /nfs/dbraw/zinc/07/75/09/1108077509.db2.gz LENDRKJKOZUGJM-OAQYLSRUSA-N 1 1 358.445 4.028 20 30 FIEDMO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1F ZINC000444743351 1108146255 /nfs/dbraw/zinc/14/62/55/1108146255.db2.gz LIFGHGNALFDSCC-INIZCTEOSA-N 1 1 371.431 4.040 20 30 FIEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1F ZINC000444743351 1108146259 /nfs/dbraw/zinc/14/62/59/1108146259.db2.gz LIFGHGNALFDSCC-INIZCTEOSA-N 1 1 371.431 4.040 20 30 FIEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000532112483 1108668216 /nfs/dbraw/zinc/66/82/16/1108668216.db2.gz NTEXFNDWNXNINR-UHFFFAOYSA-N 1 1 363.505 4.039 20 30 FIEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](C)c2ccccc2)c1 ZINC000524310016 1108960535 /nfs/dbraw/zinc/96/05/35/1108960535.db2.gz RASNXUZYGFCHGM-FQEVSTJZSA-N 1 1 363.505 4.286 20 30 FIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000475635432 1109014229 /nfs/dbraw/zinc/01/42/29/1109014229.db2.gz NMHHNEALZJRZAP-LJQANCHMSA-N 1 1 351.498 4.117 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000467510697 1109154843 /nfs/dbraw/zinc/15/48/43/1109154843.db2.gz MDTDFFBDODVWOT-MRXNPFEDSA-N 1 1 370.518 4.172 20 30 FIEDMO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1c1ccccc1 ZINC000441072764 1109299040 /nfs/dbraw/zinc/29/90/40/1109299040.db2.gz JRJNDVYMCOUIID-IBGZPJMESA-N 1 1 358.445 4.234 20 30 FIEDMO C=C(C)COc1cc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)ccc1OC ZINC000525289887 1109329173 /nfs/dbraw/zinc/32/91/73/1109329173.db2.gz INJUDWGFSPQRPH-UHFFFAOYSA-N 1 1 351.450 4.125 20 30 FIEDMO C=C(C)COc1cc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)ccc1OC ZINC000525289887 1109329176 /nfs/dbraw/zinc/32/91/76/1109329176.db2.gz INJUDWGFSPQRPH-UHFFFAOYSA-N 1 1 351.450 4.125 20 30 FIEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)CCc1cccc(F)c1 ZINC000525409294 1109376511 /nfs/dbraw/zinc/37/65/11/1109376511.db2.gz WYKQRPGPQJDHEA-UHFFFAOYSA-N 1 1 356.441 4.039 20 30 FIEDMO CCOc1ccc(C[N@@H+](CCOc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000525422235 1109384094 /nfs/dbraw/zinc/38/40/94/1109384094.db2.gz OYDQKSKMUXZELK-UHFFFAOYSA-N 1 1 368.477 4.255 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000525422930 1109384760 /nfs/dbraw/zinc/38/47/60/1109384760.db2.gz HYTVPHCQYVVLOA-UHFFFAOYSA-N 1 1 356.853 4.264 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000525422812 1109384829 /nfs/dbraw/zinc/38/48/29/1109384829.db2.gz VLVHKQFMTOTYDO-KRWDZBQOSA-N 1 1 350.462 4.246 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000446976117 1109402831 /nfs/dbraw/zinc/40/28/31/1109402831.db2.gz FZRJZJLDAUBALE-CZUORRHYSA-N 1 1 363.807 4.040 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000446976117 1109402834 /nfs/dbraw/zinc/40/28/34/1109402834.db2.gz FZRJZJLDAUBALE-CZUORRHYSA-N 1 1 363.807 4.040 20 30 FIEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000525634958 1109463461 /nfs/dbraw/zinc/46/34/61/1109463461.db2.gz BDLCPNSMAMGTED-WMZOPIPTSA-N 1 1 374.550 4.175 20 30 FIEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000447323080 1109513897 /nfs/dbraw/zinc/51/38/97/1109513897.db2.gz INLFKOKDNFBCQT-PEBVRCNWSA-N 1 1 356.297 4.087 20 30 FIEDMO C=CCC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000527198408 1109717507 /nfs/dbraw/zinc/71/75/07/1109717507.db2.gz IIPKXSZUNLNKBZ-HNNXBMFYSA-N 1 1 354.288 4.015 20 30 FIEDMO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000527489649 1109768337 /nfs/dbraw/zinc/76/83/37/1109768337.db2.gz GHUZOCOQQHFVLG-KUWBRRTOSA-N 1 1 373.500 4.038 20 30 FIEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449125416 1109980723 /nfs/dbraw/zinc/98/07/23/1109980723.db2.gz SIFVGAKXZRJCQW-UHFFFAOYSA-N 1 1 355.551 4.058 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c(Br)c1 ZINC000528657435 1110065233 /nfs/dbraw/zinc/06/52/33/1110065233.db2.gz JRECNMVJRQDHTH-SFHVURJKSA-N 1 1 356.267 4.347 20 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ZINC000449683507 1110145424 /nfs/dbraw/zinc/14/54/24/1110145424.db2.gz IXOHWRBIWZJZAB-HSZRJFAPSA-N 1 1 362.473 4.140 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340511 1110242380 /nfs/dbraw/zinc/24/23/80/1110242380.db2.gz OSOQOEYNOVEDTH-OAHLLOKOSA-N 1 1 362.433 4.200 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340511 1110242383 /nfs/dbraw/zinc/24/23/83/1110242383.db2.gz OSOQOEYNOVEDTH-OAHLLOKOSA-N 1 1 362.433 4.200 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186805182 1110253240 /nfs/dbraw/zinc/25/32/40/1110253240.db2.gz YBKLJJFCWWCVSO-UHFFFAOYSA-N 1 1 364.514 4.323 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]4COCC[C@H]43)c2)c1 ZINC000538792319 1111301623 /nfs/dbraw/zinc/30/16/23/1111301623.db2.gz NRQGQCKTJMKATC-JTHBVZDNSA-N 1 1 362.473 4.138 20 30 FIEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000538954611 1111358310 /nfs/dbraw/zinc/35/83/10/1111358310.db2.gz AWWAXTNMKZOPTH-JOCHJYFZSA-N 1 1 352.453 4.024 20 30 FIEDMO C=CC[N@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000538954611 1111358313 /nfs/dbraw/zinc/35/83/13/1111358313.db2.gz AWWAXTNMKZOPTH-JOCHJYFZSA-N 1 1 352.453 4.024 20 30 FIEDMO Cc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(Cl)cc1C#N ZINC000461866729 1111386562 /nfs/dbraw/zinc/38/65/62/1111386562.db2.gz SERHGRLJYMGIGE-OAQYLSRUSA-N 1 1 366.896 4.018 20 30 FIEDMO C=C(CC)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000539095016 1111429337 /nfs/dbraw/zinc/42/93/37/1111429337.db2.gz KPMCXOVAFXDFBD-IBGZPJMESA-N 1 1 365.445 4.014 20 30 FIEDMO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Cl)cc1C#N ZINC000461950921 1111437380 /nfs/dbraw/zinc/43/73/80/1111437380.db2.gz ZAUSYWZGSDAGRV-GUYCJALGSA-N 1 1 360.914 4.472 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c(C#N)c1C ZINC000539223229 1111481598 /nfs/dbraw/zinc/48/15/98/1111481598.db2.gz BHVYTVSINXUHBA-HUUCEWRRSA-N 1 1 369.465 4.233 20 30 FIEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(N2CCCC2)c1 ZINC000539379863 1111544048 /nfs/dbraw/zinc/54/40/48/1111544048.db2.gz UDZMZRKAIFPLAN-INIZCTEOSA-N 1 1 373.460 4.059 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC000552836725 1111824997 /nfs/dbraw/zinc/82/49/97/1111824997.db2.gz QVEGWORNTYCTKJ-UHFFFAOYSA-N 1 1 371.843 4.368 20 30 FIEDMO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000478614431 1111830445 /nfs/dbraw/zinc/83/04/45/1111830445.db2.gz AYJMXZCKWGJWFF-LJQANCHMSA-N 1 1 370.537 4.368 20 30 FIEDMO Cc1nsc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143946 1111916802 /nfs/dbraw/zinc/91/68/02/1111916802.db2.gz UFMVUAVZJGZZHG-BLLLJJGKSA-N 1 1 364.877 4.221 20 30 FIEDMO Cc1nsc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000553143946 1111916805 /nfs/dbraw/zinc/91/68/05/1111916805.db2.gz UFMVUAVZJGZZHG-BLLLJJGKSA-N 1 1 364.877 4.221 20 30 FIEDMO Cc1cc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc(C#N)n1 ZINC000553145410 1111917669 /nfs/dbraw/zinc/91/76/69/1111917669.db2.gz VVEDPXMJIDBQRV-KUHUBIRLSA-N 1 1 358.848 4.159 20 30 FIEDMO C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)cc1F ZINC000479502554 1112048811 /nfs/dbraw/zinc/04/88/11/1112048811.db2.gz ZVHKNNZIQXYVHE-UWTIGNOOSA-N 1 1 369.406 4.153 20 30 FIEDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479543362 1112063121 /nfs/dbraw/zinc/06/31/21/1112063121.db2.gz ZFBYWSPJPFWOLA-UHFFFAOYSA-N 1 1 367.518 4.170 20 30 FIEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000554228234 1112257708 /nfs/dbraw/zinc/25/77/08/1112257708.db2.gz DXIYPKFZANUZOF-UHFFFAOYSA-N 1 1 373.294 4.094 20 30 FIEDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742455 1112467532 /nfs/dbraw/zinc/46/75/32/1112467532.db2.gz IBPAXTHGAWSROV-MGPUTAFESA-N 1 1 374.444 4.200 20 30 FIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000554742455 1112467533 /nfs/dbraw/zinc/46/75/33/1112467533.db2.gz IBPAXTHGAWSROV-MGPUTAFESA-N 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CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC001126917474 1113115652 /nfs/dbraw/zinc/11/56/52/1113115652.db2.gz SSGOMAFUNPWGTB-QHCPKHFHSA-N 1 1 364.464 4.237 20 30 FIEDMO N#Cc1cnn2cc(C[NH2+][C@H](c3c(Cl)cccc3Cl)C3CC3)cnc12 ZINC000567888405 1113184449 /nfs/dbraw/zinc/18/44/49/1113184449.db2.gz DNOPPZOZCMBTNN-KRWDZBQOSA-N 1 1 372.259 4.149 20 30 FIEDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000159925952 1113268014 /nfs/dbraw/zinc/26/80/14/1113268014.db2.gz GSWRPFCLZSPOIQ-SFTDATJTSA-N 1 1 367.537 4.043 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000482570132 1113300242 /nfs/dbraw/zinc/30/02/42/1113300242.db2.gz SQHOWAOTFZASPN-HSZRJFAPSA-N 1 1 374.463 4.261 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668146384 1113387553 /nfs/dbraw/zinc/38/75/53/1113387553.db2.gz GDLVVSZPBMJPRA-JOCHJYFZSA-N 1 1 369.509 4.210 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668146384 1113387554 /nfs/dbraw/zinc/38/75/54/1113387554.db2.gz GDLVVSZPBMJPRA-JOCHJYFZSA-N 1 1 369.509 4.210 20 30 FIEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)CCc2ccccn2)cc1 ZINC000483063828 1113433448 /nfs/dbraw/zinc/43/34/48/1113433448.db2.gz QHHRMHZTRYFPAY-UHFFFAOYSA-N 1 1 351.494 4.465 20 30 FIEDMO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000483256315 1113474801 /nfs/dbraw/zinc/47/48/01/1113474801.db2.gz NJBIWAKSSWRREC-UHFFFAOYSA-N 1 1 363.505 4.190 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000483316836 1113481373 /nfs/dbraw/zinc/48/13/73/1113481373.db2.gz VWIHUUDXEYXFPN-OAHLLOKOSA-N 1 1 357.523 4.284 20 30 FIEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000486929704 1113678701 /nfs/dbraw/zinc/67/87/01/1113678701.db2.gz XHCZMIIPJKGCHS-COXVUDFISA-N 1 1 354.416 4.027 20 30 FIEDMO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000488131459 1113863455 /nfs/dbraw/zinc/86/34/55/1113863455.db2.gz GOPSJFLERIYTLJ-FQEVSTJZSA-N 1 1 373.456 4.007 20 30 FIEDMO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000488131459 1113863456 /nfs/dbraw/zinc/86/34/56/1113863456.db2.gz GOPSJFLERIYTLJ-FQEVSTJZSA-N 1 1 373.456 4.007 20 30 FIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000488178166 1113870635 /nfs/dbraw/zinc/87/06/35/1113870635.db2.gz GEJUIRYJZUDHKH-QWHCGFSZSA-N 1 1 368.308 4.375 20 30 FIEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H](C)C1 ZINC000488737946 1113984333 /nfs/dbraw/zinc/98/43/33/1113984333.db2.gz YDRSAEFERQJVSH-OGHNNQOOSA-N 1 1 372.875 4.065 20 30 FIEDMO N#Cc1cc(F)ccc1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000489677560 1114156308 /nfs/dbraw/zinc/15/63/08/1114156308.db2.gz KNHPIVWBHHCJKV-UHFFFAOYSA-N 1 1 357.860 4.059 20 30 FIEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000913040825 1114285235 /nfs/dbraw/zinc/28/52/35/1114285235.db2.gz RERHTIFIASWUBX-KRWDZBQOSA-N 1 1 351.494 4.070 20 30 FIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000490405610 1114288574 /nfs/dbraw/zinc/28/85/74/1114288574.db2.gz WMSQRWMRYLNWSG-JOCHJYFZSA-N 1 1 374.463 4.305 20 30 FIEDMO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2o1)c1cccc(C#N)c1 ZINC000586768755 1114389739 /nfs/dbraw/zinc/38/97/39/1114389739.db2.gz AEAUPPJFHLLKDN-LLVKDONJSA-N 1 1 356.223 4.313 20 30 FIEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(Br)c1 ZINC000586779261 1114392197 /nfs/dbraw/zinc/39/21/97/1114392197.db2.gz LBLRAVRRKYYNMA-UHFFFAOYSA-N 1 1 365.658 4.273 20 30 FIEDMO N#Cc1cc(Cl)cc(Br)c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587309755 1114436200 /nfs/dbraw/zinc/43/62/00/1114436200.db2.gz PMCNSQFUYRIQFM-CHWSQXEVSA-N 1 1 354.679 4.013 20 30 FIEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000588672463 1114588876 /nfs/dbraw/zinc/58/88/76/1114588876.db2.gz JODQORVFQSSYSL-AZUAARDMSA-N 1 1 363.452 4.079 20 30 FIEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000588672463 1114588880 /nfs/dbraw/zinc/58/88/80/1114588880.db2.gz JODQORVFQSSYSL-AZUAARDMSA-N 1 1 363.452 4.079 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000590622045 1114955102 /nfs/dbraw/zinc/95/51/02/1114955102.db2.gz GGMBEIWNAQTKSB-WZONZLPQSA-N 1 1 365.521 4.151 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590622043 1114955156 /nfs/dbraw/zinc/95/51/56/1114955156.db2.gz GGMBEIWNAQTKSB-JPYJTQIMSA-N 1 1 365.521 4.151 20 30 FIEDMO CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604195 1114957970 /nfs/dbraw/zinc/95/79/70/1114957970.db2.gz BIAXMNZJZKXYEO-PKOBYXMFSA-N 1 1 355.526 4.226 20 30 FIEDMO COc1cccc2c1C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000590660571 1114960719 /nfs/dbraw/zinc/96/07/19/1114960719.db2.gz NPMARYWUTQQUCL-UHFFFAOYSA-N 1 1 372.472 4.031 20 30 FIEDMO COc1cccc2c1C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000590660571 1114960720 /nfs/dbraw/zinc/96/07/20/1114960720.db2.gz NPMARYWUTQQUCL-UHFFFAOYSA-N 1 1 372.472 4.031 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COCc1ccccc1F ZINC000057944128 1115035193 /nfs/dbraw/zinc/03/51/93/1115035193.db2.gz VAFSNHRYALAVLL-HNNXBMFYSA-N 1 1 369.889 4.106 20 30 FIEDMO N#Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000573170362 1115066499 /nfs/dbraw/zinc/06/64/99/1115066499.db2.gz VYLFQUHUNHFWRA-UHFFFAOYSA-N 1 1 373.422 4.331 20 30 FIEDMO N#Cc1ccc(OC[C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)cc1 ZINC000591773777 1115142039 /nfs/dbraw/zinc/14/20/39/1115142039.db2.gz RYCOWSSFOIQXLC-NRFANRHFSA-N 1 1 365.477 4.155 20 30 FIEDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000593158696 1115304240 /nfs/dbraw/zinc/30/42/40/1115304240.db2.gz DCEHKBZBPAENNN-MRXNPFEDSA-N 1 1 362.543 4.038 20 30 FIEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Br)c1OC ZINC000593652386 1115337270 /nfs/dbraw/zinc/33/72/70/1115337270.db2.gz FDGCNVJSSUENPI-UHFFFAOYSA-N 1 1 367.287 4.030 20 30 FIEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 ZINC000593943278 1115354366 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C[N@@H+](CCCc1ccccc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000603879655 1115825407 /nfs/dbraw/zinc/82/54/07/1115825407.db2.gz WRMSDXDXFVFRKQ-UHFFFAOYSA-N 1 1 355.869 4.105 20 30 FIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586526 1115828841 /nfs/dbraw/zinc/82/88/41/1115828841.db2.gz AGQXHCBXBWTSBA-WMZOPIPTSA-N 1 1 356.510 4.287 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599672925 1115835012 /nfs/dbraw/zinc/83/50/12/1115835012.db2.gz KBDUHJWKYNAGKX-MRXNPFEDSA-N 1 1 357.523 4.285 20 30 FIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000599677968 1115835183 /nfs/dbraw/zinc/83/51/83/1115835183.db2.gz FJBCGUXUINBMQX-UHFFFAOYSA-N 1 1 369.468 4.285 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599683999 1115838055 /nfs/dbraw/zinc/83/80/55/1115838055.db2.gz SHLROMXTMDGKHD-KRWDZBQOSA-N 1 1 365.260 4.087 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599738715 1115841358 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364.493 4.431 20 30 FIEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(C#N)cc3Br)CCC2)cc1 ZINC000594033232 1115966085 /nfs/dbraw/zinc/96/60/85/1115966085.db2.gz KYZZJLLTDWVARX-UHFFFAOYSA-N 1 1 366.262 4.361 20 30 FIEDMO Cc1csc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000594111244 1116085831 /nfs/dbraw/zinc/08/58/31/1116085831.db2.gz ZFLXMDYLQIGBIN-RDJZCZTQSA-N 1 1 368.506 4.103 20 30 FIEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000063619425 1116088311 /nfs/dbraw/zinc/08/83/11/1116088311.db2.gz ODROAAVRTVQRDO-JOCHJYFZSA-N 1 1 361.489 4.387 20 30 FIEDMO CCCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000063755409 1116105457 /nfs/dbraw/zinc/10/54/57/1116105457.db2.gz GEXVSXYIDLNHRQ-UHFFFAOYSA-N 1 1 359.470 4.390 20 30 FIEDMO N#Cc1cccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534229396 1116171072 /nfs/dbraw/zinc/17/10/72/1116171072.db2.gz ILTWEUIDTWVQCI-UHFFFAOYSA-N 1 1 374.488 4.078 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1OCCCC#N ZINC000534331823 1116185724 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WQYQZCCUBYQNDA-NSHDSACASA-N 1 1 351.422 4.408 20 30 FIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)n2)cc1 ZINC000602643000 568003394 /nfs/dbraw/zinc/00/33/94/568003394.db2.gz KHDNOPRVRZWYGO-HOTGVXAUSA-N 1 1 368.481 4.049 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCc2ccccc21 ZINC000008126468 568268647 /nfs/dbraw/zinc/26/86/47/568268647.db2.gz GZPQVDSOQNGGDK-IBGZPJMESA-N 1 1 353.853 4.160 20 30 FIEDMO CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604416468 568274539 /nfs/dbraw/zinc/27/45/39/568274539.db2.gz RUDLXLZTAGZXCW-QHCPKHFHSA-N 1 1 374.484 4.168 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000303852674 568282401 /nfs/dbraw/zinc/28/24/01/568282401.db2.gz DYVWDCFZUXNRSR-INIZCTEOSA-N 1 1 359.539 4.389 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000031655282 568338098 /nfs/dbraw/zinc/33/80/98/568338098.db2.gz GYHCIXRVOLVFTO-INIZCTEOSA-N 1 1 368.525 4.293 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCc4ccc(C#N)cc43)c2)C[C@H](C)O1 ZINC000569294132 568342273 /nfs/dbraw/zinc/34/22/73/568342273.db2.gz JCKMHQLSGUJKNP-SAHWJRBASA-N 1 1 361.489 4.267 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1)C1CC1 ZINC000569964916 568444832 /nfs/dbraw/zinc/44/48/32/568444832.db2.gz YFMKPQPSPXARAN-UHFFFAOYSA-N 1 1 370.456 4.343 20 30 FIEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542004591 568513065 /nfs/dbraw/zinc/51/30/65/568513065.db2.gz MVPNWFMYOWOGQN-KSFYIVLOSA-N 1 1 355.441 4.102 20 30 FIEDMO C=CC[N@H+](CCSc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000605150800 568587756 /nfs/dbraw/zinc/58/77/56/568587756.db2.gz GGKOOVGIXASXPU-QGZVFWFLSA-N 1 1 365.506 4.004 20 30 FIEDMO N#CC1(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)CCC1 ZINC001164618569 719077975 /nfs/dbraw/zinc/07/79/75/719077975.db2.gz BBLZUTLFQVNXAC-IRLDBZIGSA-N 1 1 372.516 4.128 20 30 FIEDMO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312928905 1125514883 /nfs/dbraw/zinc/51/48/83/1125514883.db2.gz DTPKHKFZBGKTPJ-PBHICJAKSA-N 1 1 374.410 4.295 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000619620292 1125641567 /nfs/dbraw/zinc/64/15/67/1125641567.db2.gz KDJNAVQLBKBQKF-RTWAWAEBSA-N 1 1 356.510 4.187 20 30 FIEDMO N#CC1(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CCOCC1 ZINC000619620006 1125641757 /nfs/dbraw/zinc/64/17/57/1125641757.db2.gz FETGIIXAGZFMTJ-UHFFFAOYSA-N 1 1 370.493 4.260 20 30 FIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619766377 1125688241 /nfs/dbraw/zinc/68/82/41/1125688241.db2.gz YWZQHBKZTRXNHK-UHFFFAOYSA-N 1 1 369.896 4.374 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000619811264 1125707546 /nfs/dbraw/zinc/70/75/46/1125707546.db2.gz YUYUSJVECLSYGB-UHFFFAOYSA-N 1 1 371.488 4.233 20 30 FIEDMO N#CCCC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000579707707 1079563459 /nfs/dbraw/zinc/56/34/59/1079563459.db2.gz CWKZFWJPCHSVIH-UHFFFAOYSA-N 1 1 356.495 4.193 20 30 FIEDMO N#Cc1c(NC(=O)C[N@@H+](C2CC2)C2CCCC2)sc2c1CCCCC2 ZINC000064808160 1079977564 /nfs/dbraw/zinc/97/75/64/1079977564.db2.gz LVQMYYRECLBHRO-UHFFFAOYSA-N 1 1 357.523 4.234 20 30 FIEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000610216460 1079995297 /nfs/dbraw/zinc/99/52/97/1079995297.db2.gz AEXICKAWXRZEIC-GGAORHGYSA-N 1 1 364.489 4.028 20 30 FIEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3C3CCCCC3)C2=O)cc1 ZINC001167073050 1080018928 /nfs/dbraw/zinc/01/89/28/1080018928.db2.gz YYFPSZKJWKLLAX-NHCUHLMSSA-N 1 1 351.494 4.098 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000118793953 1080180177 /nfs/dbraw/zinc/18/01/77/1080180177.db2.gz XSSGKCSBPBGZOB-HOTGVXAUSA-N 1 1 374.916 4.330 20 30 FIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000510139500 1080318863 /nfs/dbraw/zinc/31/88/63/1080318863.db2.gz KCABGQIMZHCZPU-QHCPKHFHSA-N 1 1 361.489 4.331 20 30 FIEDMO CC[N@@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001167130147 1080659992 /nfs/dbraw/zinc/65/99/92/1080659992.db2.gz FCSPJQDEFSZASP-QGZVFWFLSA-N 1 1 362.473 4.346 20 30 FIEDMO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000328637065 1080667193 /nfs/dbraw/zinc/66/71/93/1080667193.db2.gz CPWPKZSCUSJCEE-OAHLLOKOSA-N 1 1 354.498 4.105 20 30 FIEDMO C=CCCCCCCC[N@@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001209439752 1080692500 /nfs/dbraw/zinc/69/25/00/1080692500.db2.gz XRZHUDBEHGVJGZ-UHFFFAOYSA-N 1 1 368.481 4.207 20 30 FIEDMO C=CCCCCCCC[N@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001209439752 1080692503 /nfs/dbraw/zinc/69/25/03/1080692503.db2.gz XRZHUDBEHGVJGZ-UHFFFAOYSA-N 1 1 368.481 4.207 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109785231 1080749795 /nfs/dbraw/zinc/74/97/95/1080749795.db2.gz NBYWKFLOIFXYJK-HNNXBMFYSA-N 1 1 356.491 4.302 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109785231 1080749803 /nfs/dbraw/zinc/74/98/03/1080749803.db2.gz NBYWKFLOIFXYJK-HNNXBMFYSA-N 1 1 356.491 4.302 20 30 FIEDMO Clc1ccccc1C#CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430341011 1080767075 /nfs/dbraw/zinc/76/70/75/1080767075.db2.gz HLSZMXLEUFYNPW-UHFFFAOYSA-N 1 1 361.876 4.226 20 30 FIEDMO Clc1ccccc1C#CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430341011 1080767083 /nfs/dbraw/zinc/76/70/83/1080767083.db2.gz HLSZMXLEUFYNPW-UHFFFAOYSA-N 1 1 361.876 4.226 20 30 FIEDMO CCCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C)c1ccc(C)o1 ZINC001167233674 1080882505 /nfs/dbraw/zinc/88/25/05/1080882505.db2.gz PHQLIPYEVUVHGC-IEBWSBKVSA-N 1 1 356.466 4.063 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000177255911 1081199727 /nfs/dbraw/zinc/19/97/27/1081199727.db2.gz UAPKGCLKAMARQJ-CQSZACIVSA-N 1 1 371.506 4.267 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000177255911 1081199731 /nfs/dbraw/zinc/19/97/31/1081199731.db2.gz UAPKGCLKAMARQJ-CQSZACIVSA-N 1 1 371.506 4.267 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2cccs2)c1C ZINC000051501991 1081224591 /nfs/dbraw/zinc/22/45/91/1081224591.db2.gz GUWSGRBYSYSZKG-QGZVFWFLSA-N 1 1 355.507 4.305 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2cccs2)c1C ZINC000051501991 1081224594 /nfs/dbraw/zinc/22/45/94/1081224594.db2.gz GUWSGRBYSYSZKG-QGZVFWFLSA-N 1 1 355.507 4.305 20 30 FIEDMO COc1cc(C[NH2+]Cc2cc(Cl)ccc2Br)ccc1C#N ZINC000580010807 1081407466 /nfs/dbraw/zinc/40/74/66/1081407466.db2.gz MQXXSYJCRNUKSO-UHFFFAOYSA-N 1 1 365.658 4.273 20 30 FIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000083249219 1081561826 /nfs/dbraw/zinc/56/18/26/1081561826.db2.gz VFKZCTMKYGAVBD-QZTJIDSGSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177740036 1081784487 /nfs/dbraw/zinc/78/44/87/1081784487.db2.gz OYCDLKLVDHISOU-MSOLQXFVSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C ZINC000177740036 1081784494 /nfs/dbraw/zinc/78/44/94/1081784494.db2.gz OYCDLKLVDHISOU-MSOLQXFVSA-N 1 1 368.481 4.024 20 30 FIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2n(C)c1=O ZINC000579854548 1082131090 /nfs/dbraw/zinc/13/10/90/1082131090.db2.gz DBVKEOBGMHRICX-UHFFFAOYSA-N 1 1 359.473 4.068 20 30 FIEDMO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1ccccc1OC ZINC000255935664 1082265131 /nfs/dbraw/zinc/26/51/31/1082265131.db2.gz WZRDVFRKHAFMEX-MRXNPFEDSA-N 1 1 372.538 4.106 20 30 FIEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000656457509 1082424413 /nfs/dbraw/zinc/42/44/13/1082424413.db2.gz NQFDDIAGDDXTBG-GGAORHGYSA-N 1 1 358.489 4.415 20 30 FIEDMO C=CCC[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccco1 ZINC000276389712 1082708370 /nfs/dbraw/zinc/70/83/70/1082708370.db2.gz BLEZGWQLKNFBGN-NRFANRHFSA-N 1 1 354.494 4.033 20 30 FIEDMO C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131963 1082738038 /nfs/dbraw/zinc/73/80/38/1082738038.db2.gz FEBPOYLDAURPED-RBBKRZOGSA-N 1 1 350.462 4.037 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430662882 1082922835 /nfs/dbraw/zinc/92/28/35/1082922835.db2.gz KWUSKBYRYMYFNE-AZUAARDMSA-N 1 1 364.489 4.034 20 30 FIEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000548306376 1082991117 /nfs/dbraw/zinc/99/11/17/1082991117.db2.gz WMZVJURYNAULEM-ROUUACIJSA-N 1 1 374.271 4.040 20 30 FIEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000548306376 1082991118 /nfs/dbraw/zinc/99/11/18/1082991118.db2.gz WMZVJURYNAULEM-ROUUACIJSA-N 1 1 374.271 4.040 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000121543175 1083065982 /nfs/dbraw/zinc/06/59/82/1083065982.db2.gz XRPGSGHTHGWOMI-AWEZNQCLSA-N 1 1 369.415 4.463 20 30 FIEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)ccc1Br ZINC000430781085 1083172882 /nfs/dbraw/zinc/17/28/82/1083172882.db2.gz RSZDUAWDFPUXKC-SFHVURJKSA-N 1 1 358.283 4.305 20 30 FIEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)ccc1Br ZINC000430781085 1083172885 /nfs/dbraw/zinc/17/28/85/1083172885.db2.gz RSZDUAWDFPUXKC-SFHVURJKSA-N 1 1 358.283 4.305 20 30 FIEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC000477731820 1083186895 /nfs/dbraw/zinc/18/68/95/1083186895.db2.gz ONYUKBSVCRSHMZ-UHFFFAOYSA-N 1 1 353.425 4.199 20 30 FIEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC000477731820 1083186898 /nfs/dbraw/zinc/18/68/98/1083186898.db2.gz ONYUKBSVCRSHMZ-UHFFFAOYSA-N 1 1 353.425 4.199 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(c3ccccc3)CC2)c(C#N)c1C ZINC000510794513 1083313539 /nfs/dbraw/zinc/31/35/39/1083313539.db2.gz BRVZRDKLIKOXAE-INIZCTEOSA-N 1 1 365.477 4.149 20 30 FIEDMO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247477565 1083328005 /nfs/dbraw/zinc/32/80/05/1083328005.db2.gz UBWWEEWYEAQRSZ-GUDVDZBRSA-N 1 1 363.505 4.018 20 30 FIEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000612161553 1083470055 /nfs/dbraw/zinc/47/00/55/1083470055.db2.gz FVYWICUBTQFSGT-JOCHJYFZSA-N 1 1 363.461 4.433 20 30 FIEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000612161553 1083470058 /nfs/dbraw/zinc/47/00/58/1083470058.db2.gz FVYWICUBTQFSGT-JOCHJYFZSA-N 1 1 363.461 4.433 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000092757700 1083620166 /nfs/dbraw/zinc/62/01/66/1083620166.db2.gz DNIZEWAKCJMHHC-JOCHJYFZSA-N 1 1 371.488 4.150 20 30 FIEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1cccs1 ZINC000375840750 1083666593 /nfs/dbraw/zinc/66/65/93/1083666593.db2.gz QESSXXUADYNDDJ-RDTXWAMCSA-N 1 1 373.909 4.086 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 ZINC000177157039 1083687873 /nfs/dbraw/zinc/68/78/73/1083687873.db2.gz SOLKPEJKRGHNKT-HXUWFJFHSA-N 1 1 350.393 4.026 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 ZINC000177157039 1083687880 /nfs/dbraw/zinc/68/78/80/1083687880.db2.gz SOLKPEJKRGHNKT-HXUWFJFHSA-N 1 1 350.393 4.026 20 30 FIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180063463 1084250179 /nfs/dbraw/zinc/25/01/79/1084250179.db2.gz WBIXXGJMKJKIDQ-NRFANRHFSA-N 1 1 372.472 4.304 20 30 FIEDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000609384880 1084370457 /nfs/dbraw/zinc/37/04/57/1084370457.db2.gz NSBJICRSRYUAPB-QGZVFWFLSA-N 1 1 367.518 4.317 20 30 FIEDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000609384880 1084370469 /nfs/dbraw/zinc/37/04/69/1084370469.db2.gz NSBJICRSRYUAPB-QGZVFWFLSA-N 1 1 367.518 4.317 20 30 FIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167516946 1084420418 /nfs/dbraw/zinc/42/04/18/1084420418.db2.gz LGFNJNIKXDAHDO-IBGZPJMESA-N 1 1 369.896 4.493 20 30 FIEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000581402196 1084541484 /nfs/dbraw/zinc/54/14/84/1084541484.db2.gz ZACUBAHBASBIKD-KRWDZBQOSA-N 1 1 365.477 4.118 20 30 FIEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000551465374 1084653640 /nfs/dbraw/zinc/65/36/40/1084653640.db2.gz HAUHUUABCDNXLP-UHFFFAOYSA-N 1 1 374.257 4.177 20 30 FIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173922434 1084710253 /nfs/dbraw/zinc/71/02/53/1084710253.db2.gz OQBILEPOOVKBPF-LIRRHRJNSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173922434 1084710258 /nfs/dbraw/zinc/71/02/58/1084710258.db2.gz OQBILEPOOVKBPF-LIRRHRJNSA-N 1 1 362.408 4.330 20 30 FIEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000613450057 1084746578 /nfs/dbraw/zinc/74/65/78/1084746578.db2.gz ZCVCAKDNSQBVIT-UHFFFAOYSA-N 1 1 362.926 4.091 20 30 FIEDMO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1Cl ZINC000478049218 1084779058 /nfs/dbraw/zinc/77/90/58/1084779058.db2.gz VQNOUCLZKCJXOI-UHFFFAOYSA-N 1 1 359.882 4.004 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000375683730 1084809472 /nfs/dbraw/zinc/80/94/72/1084809472.db2.gz VRSHQIQWNZQSRZ-KCZVDYSFSA-N 1 1 367.537 4.187 20 30 FIEDMO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332821303 1084896348 /nfs/dbraw/zinc/89/63/48/1084896348.db2.gz ADKBVWPJRSIOLU-TVTNDZMWSA-N 1 1 368.525 4.082 20 30 FIEDMO CC[C@@H](NCC#CC[NH2+][C@H](CC)c1nc(C)cs1)c1nc(C)cs1 ZINC000582375275 1084917539 /nfs/dbraw/zinc/91/75/39/1084917539.db2.gz GJZKHXOAKXRRHN-HZPDHXFCSA-N 1 1 362.568 4.001 20 30 FIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000582505297 1085079627 /nfs/dbraw/zinc/07/96/27/1085079627.db2.gz FKMGOSKNFMVMPD-FQEVSTJZSA-N 1 1 369.472 4.132 20 30 FIEDMO C=C(C)COc1cc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)ccc1OC ZINC000651892881 1085605015 /nfs/dbraw/zinc/60/50/15/1085605015.db2.gz QZXWZMYWJYRQLJ-BTYIYWSLSA-N 1 1 359.441 4.001 20 30 FIEDMO Cn1nc(CCC[N@@H+](C)CCCC(C)(C)C#N)cc1-c1ccc(F)cc1 ZINC000472260528 1085723189 /nfs/dbraw/zinc/72/31/89/1085723189.db2.gz QEBLNHMHEQRLAY-UHFFFAOYSA-N 1 1 356.489 4.421 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)cc1 ZINC000255555440 1085784853 /nfs/dbraw/zinc/78/48/53/1085784853.db2.gz ZTLQHWAVWVOOQH-XGICHPGQSA-N 1 1 354.413 4.263 20 30 FIEDMO Cc1cc(NCc2ccccc2C#N)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167632364 1085853132 /nfs/dbraw/zinc/85/31/32/1085853132.db2.gz YZLZJVDFEHBIMX-UHFFFAOYSA-N 1 1 368.484 4.432 20 30 FIEDMO Cc1ccc(NCc2ccc(N)[nH+]c2C)cc1NC(=O)c1cccc(C#N)c1 ZINC001167785736 1085989918 /nfs/dbraw/zinc/98/99/18/1085989918.db2.gz BNWDSDCWWKJPOU-UHFFFAOYSA-N 1 1 371.444 4.017 20 30 FIEDMO C=CCN1CC[C@@H]([NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001167653209 1086233592 /nfs/dbraw/zinc/23/35/92/1086233592.db2.gz IYVGNRWPAHKLCV-GOSISDBHSA-N 1 1 365.304 4.260 20 30 FIEDMO Cc1cccc(NC(=O)Nc2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)c1 ZINC000548788377 1086270357 /nfs/dbraw/zinc/27/03/57/1086270357.db2.gz QSYZGPCEYFUYLD-SFHVURJKSA-N 1 1 361.449 4.172 20 30 FIEDMO C=CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188338312 1086317926 /nfs/dbraw/zinc/31/79/26/1086317926.db2.gz JNVHMMDAKDQZLW-GGAORHGYSA-N 1 1 362.517 4.327 20 30 FIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000150882103 1086541187 /nfs/dbraw/zinc/54/11/87/1086541187.db2.gz KLUCCGYJZFXWMK-LJQANCHMSA-N 1 1 368.525 4.494 20 30 FIEDMO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105360798 1086543527 /nfs/dbraw/zinc/54/35/27/1086543527.db2.gz NCJGUPYKGRZLTE-UHFFFAOYSA-N 1 1 359.395 4.289 20 30 FIEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001167810227 1086544684 /nfs/dbraw/zinc/54/46/84/1086544684.db2.gz AKPMBMAYYGTNOR-ALLBUHFWSA-N 1 1 354.885 4.481 20 30 FIEDMO Cc1nnc([C@@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)s1 ZINC000278895565 1086548199 /nfs/dbraw/zinc/54/81/99/1086548199.db2.gz UTQWYNASSUCAIC-MRXNPFEDSA-N 1 1 362.502 4.397 20 30 FIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1Br ZINC000512083978 1086747978 /nfs/dbraw/zinc/74/79/78/1086747978.db2.gz UCQZKMXQZWOILR-UHFFFAOYSA-N 1 1 362.267 4.312 20 30 FIEDMO N#Cc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1F ZINC000512161612 1086857970 /nfs/dbraw/zinc/85/79/70/1086857970.db2.gz HGKBIZWBUBFQNQ-MRXNPFEDSA-N 1 1 353.224 4.217 20 30 FIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1Br ZINC000182100263 1086893129 /nfs/dbraw/zinc/89/31/29/1086893129.db2.gz KVFVUTLKRFKZCT-LLVKDONJSA-N 1 1 363.230 4.319 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000090117925 1086894230 /nfs/dbraw/zinc/89/42/30/1086894230.db2.gz MYNNSNUQCWBVMX-MRXNPFEDSA-N 1 1 361.214 4.073 20 30 FIEDMO COc1cc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)c(OC)cc1Cl ZINC000329655303 1087151366 /nfs/dbraw/zinc/15/13/66/1087151366.db2.gz MDUUPWRXVZFUEA-ZDUSSCGKSA-N 1 1 352.862 4.067 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187787196 1087311110 /nfs/dbraw/zinc/31/11/10/1087311110.db2.gz YVOKHGGNTRNHBD-BBATYDOGSA-N 1 1 366.358 4.477 20 30 FIEDMO C[C@@H]1SCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000118421365 1087379266 /nfs/dbraw/zinc/37/92/66/1087379266.db2.gz OXDUVDZBJNNCHM-KKSFZXQISA-N 1 1 365.502 4.065 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000090117924 1087408748 /nfs/dbraw/zinc/40/87/48/1087408748.db2.gz MYNNSNUQCWBVMX-INIZCTEOSA-N 1 1 361.214 4.073 20 30 FIEDMO Cn1nc(CCC[N@@H+](C)CC(C)(C)CCC#N)cc1-c1ccc(F)cc1 ZINC000092105360 1087438229 /nfs/dbraw/zinc/43/82/29/1087438229.db2.gz OMRYZOLYJNMLED-UHFFFAOYSA-N 1 1 356.489 4.421 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000164516169 1087516894 /nfs/dbraw/zinc/51/68/94/1087516894.db2.gz LFBLBCBRBIWOQL-IBGZPJMESA-N 1 1 353.853 4.377 20 30 FIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000685442367 1087568826 /nfs/dbraw/zinc/56/88/26/1087568826.db2.gz TVAOCZDNYMSDBA-UHFFFAOYSA-N 1 1 365.857 4.021 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000685442367 1087568827 /nfs/dbraw/zinc/56/88/27/1087568827.db2.gz TVAOCZDNYMSDBA-UHFFFAOYSA-N 1 1 365.857 4.021 20 30 FIEDMO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000544071299 1087599695 /nfs/dbraw/zinc/59/96/95/1087599695.db2.gz GLYLSCHCIOJTII-IBGZPJMESA-N 1 1 371.278 4.089 20 30 FIEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000544071299 1087599697 /nfs/dbraw/zinc/59/96/97/1087599697.db2.gz GLYLSCHCIOJTII-IBGZPJMESA-N 1 1 371.278 4.089 20 30 FIEDMO CC(C)c1ccc([C@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000612094602 1087747556 /nfs/dbraw/zinc/74/75/56/1087747556.db2.gz PQBWYNGTWBMXKI-INIZCTEOSA-N 1 1 364.493 4.430 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H](CCCc2ccccc2)c2ccc(F)cc2)nn1 ZINC000424294259 1087901824 /nfs/dbraw/zinc/90/18/24/1087901824.db2.gz KCSQHQLPVNDEAH-QFIPXVFZSA-N 1 1 364.468 4.457 20 30 FIEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2cccc(Br)c2)nn1 ZINC000424297089 1087903568 /nfs/dbraw/zinc/90/35/68/1087903568.db2.gz PVRCTCXIVZQZLR-KRWDZBQOSA-N 1 1 363.303 4.104 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000505029453 1088070251 /nfs/dbraw/zinc/07/02/51/1088070251.db2.gz NLEKAIIEPCPCPJ-MRXNPFEDSA-N 1 1 369.534 4.435 20 30 FIEDMO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000505029453 1088070265 /nfs/dbraw/zinc/07/02/65/1088070265.db2.gz NLEKAIIEPCPCPJ-MRXNPFEDSA-N 1 1 369.534 4.435 20 30 FIEDMO C=CCC1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCOCC1 ZINC000424612621 1088092880 /nfs/dbraw/zinc/09/28/80/1088092880.db2.gz YOHJDGLRZGDWPG-GOSISDBHSA-N 1 1 356.510 4.372 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1OCCCC#N ZINC000589192559 1088562978 /nfs/dbraw/zinc/56/29/78/1088562978.db2.gz JUHWSCYQJVPXMW-LJQANCHMSA-N 1 1 351.450 4.110 20 30 FIEDMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc(C#N)c2)cc1 ZINC000181502520 1088775879 /nfs/dbraw/zinc/77/58/79/1088775879.db2.gz SSYRUEHRPXWFNM-UHFFFAOYSA-N 1 1 374.488 4.246 20 30 FIEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC12CCOCC2 ZINC000414523094 1088809076 /nfs/dbraw/zinc/80/90/76/1088809076.db2.gz COQPLASDHLRGIM-KRWDZBQOSA-N 1 1 352.400 4.214 20 30 FIEDMO CCCCCCCc1ccc(-c2noc(CC[C@H]([NH3+])C(=O)OCC)n2)cc1 ZINC001211649700 1089108121 /nfs/dbraw/zinc/10/81/21/1089108121.db2.gz UOOBMMXYLAWMRE-SFHVURJKSA-N 1 1 373.497 4.073 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000565690191 1089214171 /nfs/dbraw/zinc/21/41/71/1089214171.db2.gz RSKQPUPJKGFYNO-ZDUSSCGKSA-N 1 1 363.396 4.074 20 30 FIEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435124941 1089307688 /nfs/dbraw/zinc/30/76/88/1089307688.db2.gz UIHOVFGKKOSFSJ-IBGZPJMESA-N 1 1 373.504 4.230 20 30 FIEDMO CCCCC[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435136564 1089320147 /nfs/dbraw/zinc/32/01/47/1089320147.db2.gz DOANMTGYORCUBN-FQEVSTJZSA-N 1 1 351.498 4.403 20 30 FIEDMO Cc1[nH+]ccn1CCCN(C)c1c(C#N)cnc2c(Cl)cc(C)cc21 ZINC000549256313 1089450339 /nfs/dbraw/zinc/45/03/39/1089450339.db2.gz OSJOQVYHDXVDSE-UHFFFAOYSA-N 1 1 353.857 4.100 20 30 FIEDMO CCOc1c(OC)cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425364936 1089591143 /nfs/dbraw/zinc/59/11/43/1089591143.db2.gz HXROWAQSMDWSPP-HNNXBMFYSA-N 1 1 354.450 4.167 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000425376959 1089644884 /nfs/dbraw/zinc/64/48/84/1089644884.db2.gz YYHNYFGHOJEFRR-GOSISDBHSA-N 1 1 364.411 4.358 20 30 FIEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659857060 1089657190 /nfs/dbraw/zinc/65/71/90/1089657190.db2.gz JUSWCPPVWPQGFC-FQEVSTJZSA-N 1 1 352.503 4.220 20 30 FIEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000514976797 1089681170 /nfs/dbraw/zinc/68/11/70/1089681170.db2.gz DVUDEMUBOHSNAR-FQEVSTJZSA-N 1 1 367.880 4.206 20 30 FIEDMO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000435582450 1089775678 /nfs/dbraw/zinc/77/56/78/1089775678.db2.gz ADBCBXYAGMTIFJ-QFBILLFUSA-N 1 1 366.465 4.083 20 30 FIEDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000515268050 1089928439 /nfs/dbraw/zinc/92/84/39/1089928439.db2.gz LRADTBBPQAUDRA-FGZHOGPDSA-N 1 1 356.473 4.438 20 30 FIEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C(F)(F)F)ccc1F ZINC000515332787 1089970653 /nfs/dbraw/zinc/97/06/53/1089970653.db2.gz SEESVLDJPKRBLA-UHFFFAOYSA-N 1 1 366.358 4.365 20 30 FIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C(F)(F)F)ccc1F ZINC000515332787 1089970659 /nfs/dbraw/zinc/97/06/59/1089970659.db2.gz SEESVLDJPKRBLA-UHFFFAOYSA-N 1 1 366.358 4.365 20 30 FIEDMO N#Cc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c(Br)c1 ZINC000481072122 1090145620 /nfs/dbraw/zinc/14/56/20/1090145620.db2.gz JMIKMYUPVURWJY-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c(Br)c1 ZINC000481072122 1090145623 /nfs/dbraw/zinc/14/56/23/1090145623.db2.gz JMIKMYUPVURWJY-UHFFFAOYSA-N 1 1 361.205 4.485 20 30 FIEDMO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nnn1-c1ccc(C)cc1 ZINC000417376022 1090858533 /nfs/dbraw/zinc/85/85/33/1090858533.db2.gz BNPSVFDRNMVHQO-KSFYIVLOSA-N 1 1 371.488 4.484 20 30 FIEDMO Cc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000093049260 1091225285 /nfs/dbraw/zinc/22/52/85/1091225285.db2.gz DBCAQELEVOPCEW-UHFFFAOYSA-N 1 1 350.491 4.466 20 30 FIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000330247117 1091488483 /nfs/dbraw/zinc/48/84/83/1091488483.db2.gz FKSZQQSVRILYDL-SECBINFHSA-N 1 1 363.874 4.003 20 30 FIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466932800 1091694886 /nfs/dbraw/zinc/69/48/86/1091694886.db2.gz CWJIBKKQFWUWEK-GASCZTMLSA-N 1 1 359.539 4.480 20 30 FIEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279323097 1091866832 /nfs/dbraw/zinc/86/68/32/1091866832.db2.gz BXJGUIMNTKSTQZ-HNNXBMFYSA-N 1 1 363.490 4.040 20 30 FIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370699 1091887637 /nfs/dbraw/zinc/88/76/37/1091887637.db2.gz IWRPKZDJVBSEMP-UHFFFAOYSA-N 1 1 364.497 4.011 20 30 FIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370699 1091887641 /nfs/dbraw/zinc/88/76/41/1091887641.db2.gz IWRPKZDJVBSEMP-UHFFFAOYSA-N 1 1 364.497 4.011 20 30 FIEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279465110 1091903397 /nfs/dbraw/zinc/90/33/97/1091903397.db2.gz UWGAVNXPJTYBRV-PGRDOPGGSA-N 1 1 371.488 4.237 20 30 FIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1 ZINC000512229061 1091933864 /nfs/dbraw/zinc/93/38/64/1091933864.db2.gz QJGFGAABBNCGKS-UHFFFAOYSA-N 1 1 350.256 4.113 20 30 FIEDMO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000512291640 1092013654 /nfs/dbraw/zinc/01/36/54/1092013654.db2.gz BKTRINVZYWXRJY-CQSZACIVSA-N 1 1 353.853 4.376 20 30 FIEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000512291640 1092013668 /nfs/dbraw/zinc/01/36/68/1092013668.db2.gz BKTRINVZYWXRJY-CQSZACIVSA-N 1 1 353.853 4.376 20 30 FIEDMO C=CCc1cc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)cc(OC)c1O ZINC000512336467 1092074205 /nfs/dbraw/zinc/07/42/05/1092074205.db2.gz BRAUUSYZYVDMIT-IBGZPJMESA-N 1 1 353.462 4.127 20 30 FIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379832 1092193091 /nfs/dbraw/zinc/19/30/91/1092193091.db2.gz PZXGJOQQLUOLOA-UHFFFAOYSA-N 1 1 352.394 4.075 20 30 FIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379832 1092193098 /nfs/dbraw/zinc/19/30/98/1092193098.db2.gz PZXGJOQQLUOLOA-UHFFFAOYSA-N 1 1 352.394 4.075 20 30 FIEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428213351 1092264692 /nfs/dbraw/zinc/26/46/92/1092264692.db2.gz RSHGYVUASUPYNO-UHFFFAOYSA-N 1 1 366.415 4.291 20 30 FIEDMO C=C(C)CN(CC)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000500701947 1092390193 /nfs/dbraw/zinc/39/01/93/1092390193.db2.gz SEIGBXARYQNCAN-KDURUIRLSA-N 1 1 357.542 4.272 20 30 FIEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512522708 1092632308 /nfs/dbraw/zinc/63/23/08/1092632308.db2.gz YDCJRUWWUGCYBM-UHFFFAOYSA-N 1 1 358.461 4.010 20 30 FIEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549800354 1092787977 /nfs/dbraw/zinc/78/79/77/1092787977.db2.gz JYNGLBFNJAPZJD-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000549800354 1092787988 /nfs/dbraw/zinc/78/79/88/1092787988.db2.gz JYNGLBFNJAPZJD-SFHVURJKSA-N 1 1 374.271 4.102 20 30 FIEDMO Cn1cc(-c2ccc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)s2)cn1 ZINC000549802569 1092790515 /nfs/dbraw/zinc/79/05/15/1092790515.db2.gz TUHKQZCWMUYNNW-UHFFFAOYSA-N 1 1 360.486 4.310 20 30 FIEDMO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000549802418 1092791282 /nfs/dbraw/zinc/79/12/82/1092791282.db2.gz OKAXABGHVKBRMQ-UHFFFAOYSA-N 1 1 368.462 4.245 20 30 FIEDMO C=CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000549802418 1092791283 /nfs/dbraw/zinc/79/12/83/1092791283.db2.gz OKAXABGHVKBRMQ-UHFFFAOYSA-N 1 1 368.462 4.245 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCCC3(CC3)C2)sc2c1CCCCC2 ZINC000473454374 1092888797 /nfs/dbraw/zinc/88/87/97/1092888797.db2.gz QGEGOSJDKLGEBG-UHFFFAOYSA-N 1 1 357.523 4.093 20 30 FIEDMO CCC[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000521821791 1092938799 /nfs/dbraw/zinc/93/87/99/1092938799.db2.gz WVAUVLJWUNNFFR-QFIPXVFZSA-N 1 1 363.505 4.426 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000573744434 1092968140 /nfs/dbraw/zinc/96/81/40/1092968140.db2.gz FVQIDJZGPZJLNR-JOCHJYFZSA-N 1 1 360.436 4.029 20 30 FIEDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512612331 1092990663 /nfs/dbraw/zinc/99/06/63/1092990663.db2.gz OLOPZXYTIPSOTA-HUUCEWRRSA-N 1 1 353.441 4.076 20 30 FIEDMO COCC[N@@H+](C)CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512623317 1093001042 /nfs/dbraw/zinc/00/10/42/1093001042.db2.gz FBEKVVIWFZKVCM-VGSWGCGISA-N 1 1 369.484 4.058 20 30 FIEDMO COCC[N@@H+](C)CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512623315 1093001264 /nfs/dbraw/zinc/00/12/64/1093001264.db2.gz FBEKVVIWFZKVCM-VGOFRKELSA-N 1 1 369.484 4.058 20 30 FIEDMO Cn1cc([C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccc(F)cc2)cn1 ZINC000614159647 1093013384 /nfs/dbraw/zinc/01/33/84/1093013384.db2.gz KGQAXYLBGVOLQL-YADHBBJMSA-N 1 1 360.436 4.187 20 30 FIEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614163288 1093032151 /nfs/dbraw/zinc/03/21/51/1093032151.db2.gz XNAMQRSKGMYPME-IEBWSBKVSA-N 1 1 355.526 4.005 20 30 FIEDMO C[N@H+]1CCC[C@H](c2nc(-c3ccc(Oc4ccc(C#N)cc4)cc3)no2)C1 ZINC001211877166 1093046889 /nfs/dbraw/zinc/04/68/89/1093046889.db2.gz CKTJRYFWFNNLIX-KRWDZBQOSA-N 1 1 360.417 4.210 20 30 FIEDMO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512642346 1093065938 /nfs/dbraw/zinc/06/59/38/1093065938.db2.gz ORPNBQUAVYQVAL-QGZVFWFLSA-N 1 1 367.468 4.023 20 30 FIEDMO COc1cccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)[NH+]2CCCC2)c1 ZINC000512642854 1093066547 /nfs/dbraw/zinc/06/65/47/1093066547.db2.gz SYQOTNABFCXWTG-AOMKIAJQSA-N 1 1 367.468 4.194 20 30 FIEDMO COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512647841 1093070256 /nfs/dbraw/zinc/07/02/56/1093070256.db2.gz JTRLUFMJTMESLN-NSHDSACASA-N 1 1 363.230 4.319 20 30 FIEDMO CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000512655856 1093089543 /nfs/dbraw/zinc/08/95/43/1093089543.db2.gz WXUJAGYQJRXWRP-KSFYIVLOSA-N 1 1 369.484 4.440 20 30 FIEDMO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512667850 1093111714 /nfs/dbraw/zinc/11/17/14/1093111714.db2.gz RHGGCLGEIHSHJN-QGZVFWFLSA-N 1 1 369.484 4.269 20 30 FIEDMO C=C(CNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000512674056 1093122727 /nfs/dbraw/zinc/12/27/27/1093122727.db2.gz VENHOVJOFZGDMH-JOCHJYFZSA-N 1 1 363.505 4.006 20 30 FIEDMO N#CC1(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CCCCC1 ZINC000411164653 1093140999 /nfs/dbraw/zinc/14/09/99/1093140999.db2.gz FVMAXOOIPAIYII-GOSISDBHSA-N 1 1 355.530 4.048 20 30 FIEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)cc(OC)c1O ZINC000512697028 1093151059 /nfs/dbraw/zinc/15/10/59/1093151059.db2.gz KYZDACWEKFUMRB-UHFFFAOYSA-N 1 1 373.518 4.492 20 30 FIEDMO C=CCOc1ccc(-c2noc([C@@H]([NH3+])C3CCC(F)(F)CC3)n2)c(F)c1 ZINC001211759970 1093248547 /nfs/dbraw/zinc/24/85/47/1093248547.db2.gz GLMHYNCYGXWJGI-HNNXBMFYSA-N 1 1 367.371 4.266 20 30 FIEDMO N#Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000151634609 1093265501 /nfs/dbraw/zinc/26/55/01/1093265501.db2.gz DYIOYWQVUJAYKL-IRLDBZIGSA-N 1 1 374.488 4.077 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000429851897 1093280932 /nfs/dbraw/zinc/28/09/32/1093280932.db2.gz MAHNXRLTFHLAIP-HNNXBMFYSA-N 1 1 369.534 4.466 20 30 FIEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000429865819 1093301283 /nfs/dbraw/zinc/30/12/83/1093301283.db2.gz HVRWUYLGQPCPNS-CQSZACIVSA-N 1 1 355.507 4.076 20 30 FIEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)c1 ZINC000323372627 1093314428 /nfs/dbraw/zinc/31/44/28/1093314428.db2.gz DUIYUYNCBQNZCY-GFCCVEGCSA-N 1 1 372.266 4.130 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439319906 1093328796 /nfs/dbraw/zinc/32/87/96/1093328796.db2.gz SEQRSTGMDKCJHZ-NVXWUHKLSA-N 1 1 367.880 4.418 20 30 FIEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439319906 1093328815 /nfs/dbraw/zinc/32/88/15/1093328815.db2.gz SEQRSTGMDKCJHZ-NVXWUHKLSA-N 1 1 367.880 4.418 20 30 FIEDMO C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCCC[C@H]1C ZINC000512795006 1093350679 /nfs/dbraw/zinc/35/06/79/1093350679.db2.gz MLIYCDHDKWSISC-QZTJIDSGSA-N 1 1 361.489 4.218 20 30 FIEDMO CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)c(OC)c1)C[C@H](C)C#N ZINC000509817611 1093428338 /nfs/dbraw/zinc/42/83/38/1093428338.db2.gz CXTVKFJRIASCNM-MRXNPFEDSA-N 1 1 356.441 4.395 20 30 FIEDMO CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)c(OC)c1)C[C@H](C)C#N ZINC000509817611 1093428350 /nfs/dbraw/zinc/42/83/50/1093428350.db2.gz CXTVKFJRIASCNM-MRXNPFEDSA-N 1 1 356.441 4.395 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433301960 1093557539 /nfs/dbraw/zinc/55/75/39/1093557539.db2.gz HQHDKJOHRKVJEI-SFHVURJKSA-N 1 1 367.880 4.076 20 30 FIEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000433301960 1093557552 /nfs/dbraw/zinc/55/75/52/1093557552.db2.gz HQHDKJOHRKVJEI-SFHVURJKSA-N 1 1 367.880 4.076 20 30 FIEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(Br)cc1C#N ZINC001141817035 1093598543 /nfs/dbraw/zinc/59/85/43/1093598543.db2.gz SPBGZFCXOFLRAQ-UHFFFAOYSA-N 1 1 373.294 4.394 20 30 FIEDMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000419363463 1093779384 /nfs/dbraw/zinc/77/93/84/1093779384.db2.gz YYNULWZDGSMKKD-HXUWFJFHSA-N 1 1 365.477 4.213 20 30 FIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2C)C2CCC(O)CC2)c1 ZINC000614401032 1093818977 /nfs/dbraw/zinc/81/89/77/1093818977.db2.gz XVEJARIRZHSHII-UHFFFAOYSA-N 1 1 364.489 4.181 20 30 FIEDMO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1cccc(C#N)c1 ZINC000614407372 1093827209 /nfs/dbraw/zinc/82/72/09/1093827209.db2.gz OMXMSZNOKGWIAU-LBPRGKRZSA-N 1 1 369.266 4.058 20 30 FIEDMO Cc1oc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000025548855 1094488429 /nfs/dbraw/zinc/48/84/29/1094488429.db2.gz RSVTYDPURITZCF-INIZCTEOSA-N 1 1 373.456 4.474 20 30 FIEDMO COc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000501207771 1094559303 /nfs/dbraw/zinc/55/93/03/1094559303.db2.gz IRCWIOCKPVGHFU-AVRDEDQJSA-N 1 1 363.505 4.052 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c1C ZINC000501376945 1094669001 /nfs/dbraw/zinc/66/90/01/1094669001.db2.gz OAJMATGCTWVMFB-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(Cl)c2)c1C ZINC000501376945 1094669007 /nfs/dbraw/zinc/66/90/07/1094669007.db2.gz OAJMATGCTWVMFB-UHFFFAOYSA-N 1 1 369.896 4.336 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000513714154 1094694321 /nfs/dbraw/zinc/69/43/21/1094694321.db2.gz ZAPZNQZCYPSLCQ-HNNXBMFYSA-N 1 1 367.880 4.053 20 30 FIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000513714154 1094694326 /nfs/dbraw/zinc/69/43/26/1094694326.db2.gz ZAPZNQZCYPSLCQ-HNNXBMFYSA-N 1 1 367.880 4.053 20 30 FIEDMO C#Cc1cncc(-c2noc([C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)c1 ZINC000896558697 1094738260 /nfs/dbraw/zinc/73/82/60/1094738260.db2.gz BBJIFLXNJVHYBE-QGZVFWFLSA-N 1 1 373.460 4.087 20 30 FIEDMO C[C@@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC12CCC2 ZINC000329158688 1094758430 /nfs/dbraw/zinc/75/84/30/1094758430.db2.gz XBPWUSSSEFYJKF-CYBMUJFWSA-N 1 1 374.485 4.326 20 30 FIEDMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000329152759 1094758809 /nfs/dbraw/zinc/75/88/09/1094758809.db2.gz TWPBEPMEPJOLNC-KRWDZBQOSA-N 1 1 371.525 4.269 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001141902991 1094794482 /nfs/dbraw/zinc/79/44/82/1094794482.db2.gz MCBNDLXJBLXGGB-AWEZNQCLSA-N 1 1 359.242 4.449 20 30 FIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001141902991 1094794490 /nfs/dbraw/zinc/79/44/90/1094794490.db2.gz MCBNDLXJBLXGGB-AWEZNQCLSA-N 1 1 359.242 4.449 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000329310028 1094831871 /nfs/dbraw/zinc/83/18/71/1094831871.db2.gz FQOVLDHFQRRZPF-YZLZLFLDSA-N 1 1 371.525 4.376 20 30 FIEDMO O=C(NCC[C@@H]1CCCCO1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329339704 1094849178 /nfs/dbraw/zinc/84/91/78/1094849178.db2.gz NTTLCMAKHWHQBV-HKUYNNGSSA-N 1 1 359.514 4.409 20 30 FIEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000329342901 1094852398 /nfs/dbraw/zinc/85/23/98/1094852398.db2.gz PTQJIXYVQOMWBJ-APWZRJJASA-N 1 1 354.498 4.208 20 30 FIEDMO Cc1nc(CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c(C)o1 ZINC000329449160 1094910892 /nfs/dbraw/zinc/91/08/92/1094910892.db2.gz MMVVUYKUIMHVGF-QGZVFWFLSA-N 1 1 370.497 4.297 20 30 FIEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000329587029 1094984799 /nfs/dbraw/zinc/98/47/99/1094984799.db2.gz MQUOBTJIODCYPN-ROUUACIJSA-N 1 1 374.529 4.327 20 30 FIEDMO N#CCSCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420959341 1095200722 /nfs/dbraw/zinc/20/07/22/1095200722.db2.gz FGPNVEGNRLFJMD-HNNXBMFYSA-N 1 1 353.329 4.103 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000329785125 1095265299 /nfs/dbraw/zinc/26/52/99/1095265299.db2.gz WSOCLEYMAUPSDM-GUDVDZBRSA-N 1 1 366.509 4.251 20 30 FIEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCc2ccccc21 ZINC000329792169 1095266908 /nfs/dbraw/zinc/26/69/08/1095266908.db2.gz FHADGXINCANOFX-KJJMTIBFSA-N 1 1 370.537 4.426 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C)c1 ZINC000329855636 1095294682 /nfs/dbraw/zinc/29/46/82/1095294682.db2.gz UELLUKYHQBZQJQ-RYQLBKOJSA-N 1 1 373.497 4.083 20 30 FIEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C)c1 ZINC000329855636 1095294695 /nfs/dbraw/zinc/29/46/95/1095294695.db2.gz UELLUKYHQBZQJQ-RYQLBKOJSA-N 1 1 373.497 4.083 20 30 FIEDMO Cc1onc(-c2ccccc2C)c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000330034550 1095356916 /nfs/dbraw/zinc/35/69/16/1095356916.db2.gz WNEQVYDWLUFURQ-INIZCTEOSA-N 1 1 353.466 4.280 20 30 FIEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000330031730 1095357369 /nfs/dbraw/zinc/35/73/69/1095357369.db2.gz UFWRFWHSWGJTIP-MJGOQNOKSA-N 1 1 370.472 4.213 20 30 FIEDMO CC[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1nnc2n1CCCCC2 ZINC000330171938 1095402855 /nfs/dbraw/zinc/40/28/55/1095402855.db2.gz FXLWGMVKSLJIKI-WMZOPIPTSA-N 1 1 373.545 4.067 20 30 FIEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1sc2c(c1C)CCCC2 ZINC000330286794 1095447852 /nfs/dbraw/zinc/44/78/52/1095447852.db2.gz BUZBCOBWDCJUEZ-UHFFFAOYSA-N 1 1 369.494 4.108 20 30 FIEDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281173761 1095493582 /nfs/dbraw/zinc/49/35/82/1095493582.db2.gz AIHHAMAKDLIJLO-QFBILLFUSA-N 1 1 362.901 4.202 20 30 FIEDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281173761 1095493590 /nfs/dbraw/zinc/49/35/90/1095493590.db2.gz AIHHAMAKDLIJLO-QFBILLFUSA-N 1 1 362.901 4.202 20 30 FIEDMO N#Cc1ccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1F ZINC000421322071 1095522844 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C=CCSc1nc2ccccc2n1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000784044973 1114048570 /nfs/dbraw/zinc/04/85/70/1114048570.db2.gz WMQHPGYUDWWVJL-CQSZACIVSA-N 1 1 358.536 4.464 20 30 FIEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)ccc1[N+](=O)[O-] ZINC000489177570 1114063633 /nfs/dbraw/zinc/06/36/33/1114063633.db2.gz RWONYGRRQPJXFL-UHFFFAOYSA-N 1 1 353.422 4.133 20 30 FIEDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000489877690 1114181547 /nfs/dbraw/zinc/18/15/47/1114181547.db2.gz ZGKLLUYXIHUXTD-CQSZACIVSA-N 1 1 356.436 4.338 20 30 FIEDMO COc1cc(N[C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000490063514 1114212828 /nfs/dbraw/zinc/21/28/28/1114212828.db2.gz GPTWHMDYVVZFDN-LPHOPBHVSA-N 1 1 365.477 4.213 20 30 FIEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 ZINC000912828148 1114220163 /nfs/dbraw/zinc/22/01/63/1114220163.db2.gz SRKFDTIJFPSGFG-UHFFFAOYSA-N 1 1 374.282 4.122 20 30 FIEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000490226859 1114239877 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368.484 4.209 20 30 FIEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000156937776 1114635648 /nfs/dbraw/zinc/63/56/48/1114635648.db2.gz SDSJESWNKBFPKJ-MOPGFXCFSA-N 1 1 354.450 4.028 20 30 FIEDMO COCC[N@@H+](Cc1cc2cc(Cl)cnc2o1)Cc1ccc(C#N)cc1 ZINC000590639009 1114957070 /nfs/dbraw/zinc/95/70/70/1114957070.db2.gz RLMBCYLIBSUFLZ-UHFFFAOYSA-N 1 1 355.825 4.001 20 30 FIEDMO CC[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604192 1114957878 /nfs/dbraw/zinc/95/78/78/1114957878.db2.gz BIAXMNZJZKXYEO-HKUYNNGSSA-N 1 1 355.526 4.226 20 30 FIEDMO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)C4(CCC4)C3)o2)c1 ZINC000591048674 1115014972 /nfs/dbraw/zinc/01/49/72/1115014972.db2.gz BZEKZBBPYBUEAZ-HXUWFJFHSA-N 1 1 370.456 4.378 20 30 FIEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000573168449 1115066515 /nfs/dbraw/zinc/06/65/15/1115066515.db2.gz VYANKONZRQXXKT-INIZCTEOSA-N 1 1 356.388 4.288 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000573168449 1115066516 /nfs/dbraw/zinc/06/65/16/1115066516.db2.gz VYANKONZRQXXKT-INIZCTEOSA-N 1 1 356.388 4.288 20 30 FIEDMO CCCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ncsc2C1 ZINC000592187292 1115207185 /nfs/dbraw/zinc/20/71/85/1115207185.db2.gz IZRGCVYUIILRQJ-QGZVFWFLSA-N 1 1 361.555 4.203 20 30 FIEDMO CCCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592187748 1115220045 /nfs/dbraw/zinc/22/00/45/1115220045.db2.gz LCHZVJBZLARQHE-HNNXBMFYSA-N 1 1 370.478 4.083 20 30 FIEDMO N#CCCC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000592517248 1115239906 /nfs/dbraw/zinc/23/99/06/1115239906.db2.gz IZIZXYYIADAIIB-UHFFFAOYSA-N 1 1 373.298 4.355 20 30 FIEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000592763436 1115264379 /nfs/dbraw/zinc/26/43/79/1115264379.db2.gz SDORZZIOTBRACM-IAQYHMDHSA-N 1 1 365.264 4.084 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCc2sccc2C1 ZINC000592984483 1115278121 /nfs/dbraw/zinc/27/81/21/1115278121.db2.gz 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C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518172 1115417269 /nfs/dbraw/zinc/41/72/69/1115417269.db2.gz FTWHXYIVWNHMLH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518172 1115417274 /nfs/dbraw/zinc/41/72/74/1115417274.db2.gz FTWHXYIVWNHMLH-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO Cc1c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)nnn1-c1ccccc1 ZINC000594512915 1115456944 /nfs/dbraw/zinc/45/69/44/1115456944.db2.gz FJJJVKIIWUSUIB-INIZCTEOSA-N 1 1 357.461 4.177 20 30 FIEDMO N#Cc1ccc(C[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C2CC2)cc1 ZINC000595297364 1115521680 /nfs/dbraw/zinc/52/16/80/1115521680.db2.gz SBYFIPPRHBWNCQ-HXUWFJFHSA-N 1 1 363.486 4.026 20 30 FIEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1ccc(Br)cn1)C(C)C ZINC000574973488 1115526394 /nfs/dbraw/zinc/52/63/94/1115526394.db2.gz VXQBXESFFQMFHS-MAUKXSAKSA-N 1 1 366.347 4.193 20 30 FIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1ccc(Br)cn1)C(C)C ZINC000574973491 1115526407 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4.433 20 30 FIEDMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615760 1115554232 /nfs/dbraw/zinc/55/42/32/1115554232.db2.gz NQYSAWRDCQAVIO-NQIIRXRSSA-N 1 1 367.537 4.273 20 30 FIEDMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615760 1115554236 /nfs/dbraw/zinc/55/42/36/1115554236.db2.gz NQYSAWRDCQAVIO-NQIIRXRSSA-N 1 1 367.537 4.273 20 30 FIEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000595881084 1115565251 /nfs/dbraw/zinc/56/52/51/1115565251.db2.gz PQSLBKPLEZASBQ-FQEVSTJZSA-N 1 1 356.473 4.121 20 30 FIEDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491205361 1115570782 /nfs/dbraw/zinc/57/07/82/1115570782.db2.gz NGNVENIZOAMTHV-HXUWFJFHSA-N 1 1 356.473 4.257 20 30 FIEDMO CC[C@@H]1C[C@H](Nc2cc(C)[nH+]c(N[C@@H]3CCO[C@H](CC)C3)c2C#N)CCO1 ZINC000596278635 1115580944 /nfs/dbraw/zinc/58/09/44/1115580944.db2.gz ROWWTMJEFSTRNL-BRSBDYLESA-N 1 1 372.513 4.001 20 30 FIEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H](CC#N)C3)c2c1C ZINC000596321742 1115583627 /nfs/dbraw/zinc/58/36/27/1115583627.db2.gz MBURPYMMAHYRDV-INIZCTEOSA-N 1 1 369.538 4.034 20 30 FIEDMO C[NH+](C)Cc1cccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)n1 ZINC001168410002 1115604564 /nfs/dbraw/zinc/60/45/64/1115604564.db2.gz DCQZPTRDJWQODC-UHFFFAOYSA-N 1 1 355.441 4.320 20 30 FIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cc(OC)c1O ZINC000761196239 1115617406 /nfs/dbraw/zinc/61/74/06/1115617406.db2.gz ZUTAILAIMVJARF-UHFFFAOYSA-N 1 1 362.813 4.151 20 30 FIEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cc(OC)c1O ZINC000761196239 1115617409 /nfs/dbraw/zinc/61/74/09/1115617409.db2.gz ZUTAILAIMVJARF-UHFFFAOYSA-N 1 1 362.813 4.151 20 30 FIEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596983011 1115631307 /nfs/dbraw/zinc/63/13/07/1115631307.db2.gz CFENWMSQNOBVII-QGZVFWFLSA-N 1 1 357.461 4.015 20 30 FIEDMO COC[C@H](C)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000596979806 1115631569 /nfs/dbraw/zinc/63/15/69/1115631569.db2.gz PITVZVCMXCMKHI-KRWDZBQOSA-N 1 1 350.462 4.137 20 30 FIEDMO C[C@H](c1ccc(F)c(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000060466699 1115645339 /nfs/dbraw/zinc/64/53/39/1115645339.db2.gz JCQJETHMESRXSK-MRXNPFEDSA-N 1 1 355.432 4.105 20 30 FIEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000597162331 1115645360 /nfs/dbraw/zinc/64/53/60/1115645360.db2.gz WRQNBFDWZFOUTA-WOJBJXKFSA-N 1 1 352.865 4.203 20 30 FIEDMO CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477355 1115646282 /nfs/dbraw/zinc/64/62/82/1115646282.db2.gz DTIFBEVXWSRILX-DNVCBOLYSA-N 1 1 358.869 4.034 20 30 FIEDMO Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@H](CC#N)C4)cc3)nc12 ZINC000597173862 1115646431 /nfs/dbraw/zinc/64/64/31/1115646431.db2.gz LYERHCGCYAJKEP-LJQANCHMSA-N 1 1 374.488 4.347 20 30 FIEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC3(C#N)CCCCC3)C2)s1 ZINC000597630872 1115678212 /nfs/dbraw/zinc/67/82/12/1115678212.db2.gz BEKLPWXPUXWAID-GOSISDBHSA-N 1 1 373.566 4.201 20 30 FIEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000075685187 1115684023 /nfs/dbraw/zinc/68/40/23/1115684023.db2.gz NINHOIXFFPGGJZ-HXUWFJFHSA-N 1 1 358.445 4.205 20 30 FIEDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cscc3C#N)sc2c1)C1CC1 ZINC000598030863 1115703267 /nfs/dbraw/zinc/70/32/67/1115703267.db2.gz VPRXHIDKNVFIIH-UHFFFAOYSA-N 1 1 368.487 4.076 20 30 FIEDMO CC[C@@](C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1 ZINC000602922683 1115734079 /nfs/dbraw/zinc/73/40/79/1115734079.db2.gz BKPJJMGLDVKBQG-HXUWFJFHSA-N 1 1 350.397 4.162 20 30 FIEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000598616336 1115740505 /nfs/dbraw/zinc/74/05/05/1115740505.db2.gz VAKLDZFZYLOJLE-IBGZPJMESA-N 1 1 354.519 4.018 20 30 FIEDMO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000603581247 1115795998 /nfs/dbraw/zinc/79/59/98/1115795998.db2.gz OPYPZLOTSUXQOH-UHFFFAOYSA-N 1 1 369.468 4.223 20 30 FIEDMO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000603581247 1115795999 /nfs/dbraw/zinc/79/59/99/1115795999.db2.gz OPYPZLOTSUXQOH-UHFFFAOYSA-N 1 1 369.468 4.223 20 30 FIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273250 1115803762 /nfs/dbraw/zinc/80/37/62/1115803762.db2.gz BBHCSZLPLMMEBN-DZGCQCFKSA-N 1 1 371.308 4.058 20 30 FIEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)CCOCC1 ZINC000599270237 1115804883 /nfs/dbraw/zinc/80/48/83/1115804883.db2.gz DGQIEAOHLRCCLG-UGKGYDQZSA-N 1 1 364.489 4.048 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3cc(O)ccc3Cl)CC2)c(F)c1 ZINC000599417053 1115815370 /nfs/dbraw/zinc/81/53/70/1115815370.db2.gz JKSMSRUTKRMDJJ-UHFFFAOYSA-N 1 1 360.816 4.100 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000603857613 1115821845 /nfs/dbraw/zinc/82/18/45/1115821845.db2.gz FNTRJYHVRWWLOO-MRXNPFEDSA-N 1 1 364.449 4.453 20 30 FIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000603857620 1115821941 /nfs/dbraw/zinc/82/19/41/1115821941.db2.gz HAYZBFARHMMWTG-INIZCTEOSA-N 1 1 364.449 4.453 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1ccccc1 ZINC000603892596 1115827066 /nfs/dbraw/zinc/82/70/66/1115827066.db2.gz QIPXASGURBSWCP-UHFFFAOYSA-N 1 1 367.518 4.002 20 30 FIEDMO CCOCC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000599625770 1115834063 /nfs/dbraw/zinc/83/40/63/1115834063.db2.gz OQXDLPRNPQWNSE-NRFANRHFSA-N 1 1 356.510 4.113 20 30 FIEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000599653322 1115835750 /nfs/dbraw/zinc/83/57/50/1115835750.db2.gz UPPHNCHLFREEKW-BBRMVZONSA-N 1 1 356.267 4.094 20 30 FIEDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000604013417 1115840790 /nfs/dbraw/zinc/84/07/90/1115840790.db2.gz HGCYSMZBAVDUAR-UHFFFAOYSA-N 1 1 353.422 4.148 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1OC ZINC000604492932 1115867685 /nfs/dbraw/zinc/86/76/85/1115867685.db2.gz ZOYYHAVVOLQQEX-AWEZNQCLSA-N 1 1 357.479 4.040 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1OC ZINC000604492932 1115867688 /nfs/dbraw/zinc/86/76/88/1115867688.db2.gz ZOYYHAVVOLQQEX-AWEZNQCLSA-N 1 1 357.479 4.040 20 30 FIEDMO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1OC ZINC000604492933 1115867850 /nfs/dbraw/zinc/86/78/50/1115867850.db2.gz ZOYYHAVVOLQQEX-CQSZACIVSA-N 1 1 357.479 4.040 20 30 FIEDMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1OC ZINC000604492933 1115867852 /nfs/dbraw/zinc/86/78/52/1115867852.db2.gz ZOYYHAVVOLQQEX-CQSZACIVSA-N 1 1 357.479 4.040 20 30 FIEDMO COc1cccc(/C=N\C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1O ZINC000171814079 1115875365 /nfs/dbraw/zinc/87/53/65/1115875365.db2.gz LGOBZTLJKZLMPH-KOTHIZQUSA-N 1 1 350.462 4.015 20 30 FIEDMO C=CCOc1ccccc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426754 1115925988 /nfs/dbraw/zinc/92/59/88/1115925988.db2.gz RDLOHAQKWZSMRS-NRFANRHFSA-N 1 1 350.506 4.253 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000593994617 1115951405 /nfs/dbraw/zinc/95/14/05/1115951405.db2.gz WSUZTQQAWZQAFK-DLBZAZTESA-N 1 1 372.472 4.108 20 30 FIEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606923623 1115984197 /nfs/dbraw/zinc/98/41/97/1115984197.db2.gz RJHZLAJFOBUNBB-NRFANRHFSA-N 1 1 357.542 4.286 20 30 FIEDMO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1nc(C)cs1 ZINC000174060316 1116108970 /nfs/dbraw/zinc/10/89/70/1116108970.db2.gz GUVKCTQHXQJQOQ-AEFFLSMTSA-N 1 1 370.522 4.136 20 30 FIEDMO COc1ccc(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272094 1116125426 /nfs/dbraw/zinc/12/54/26/1116125426.db2.gz FNJZDXPVUGIGDB-GOSISDBHSA-N 1 1 363.505 4.231 20 30 FIEDMO COc1ccc(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272094 1116125428 /nfs/dbraw/zinc/12/54/28/1116125428.db2.gz FNJZDXPVUGIGDB-GOSISDBHSA-N 1 1 363.505 4.231 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CCCCC2)CC1 ZINC000608833280 1116130702 /nfs/dbraw/zinc/13/07/02/1116130702.db2.gz HYTJJTJWVUFMHI-OAHLLOKOSA-N 1 1 371.550 4.482 20 30 FIEDMO C#CCOc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1 ZINC000174451262 1116134944 /nfs/dbraw/zinc/13/49/44/1116134944.db2.gz CZXGTFBHFIZKMS-UHFFFAOYSA-N 1 1 374.484 4.213 20 30 FIEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1)c1ccccc1 ZINC000608977584 1116139408 /nfs/dbraw/zinc/13/94/08/1116139408.db2.gz TYYVOBVVAVQSSR-OAQYLSRUSA-N 1 1 361.489 4.203 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000534106562 1116160808 /nfs/dbraw/zinc/16/08/08/1116160808.db2.gz GDEDCSQJJFVMBU-UHFFFAOYSA-N 1 1 369.534 4.101 20 30 FIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000534106562 1116160809 /nfs/dbraw/zinc/16/08/09/1116160809.db2.gz GDEDCSQJJFVMBU-UHFFFAOYSA-N 1 1 369.534 4.101 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000534837556 1116243380 /nfs/dbraw/zinc/24/33/80/1116243380.db2.gz NWZCRDUGIRSUSP-MSOLQXFVSA-N 1 1 369.452 4.043 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534861362 1116246289 /nfs/dbraw/zinc/24/62/89/1116246289.db2.gz WKCHKWZDNIECKV-ICSRJNTNSA-N 1 1 370.880 4.080 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534861362 1116246290 /nfs/dbraw/zinc/24/62/90/1116246290.db2.gz WKCHKWZDNIECKV-ICSRJNTNSA-N 1 1 370.880 4.080 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000534863240 1116246547 /nfs/dbraw/zinc/24/65/47/1116246547.db2.gz AXWSLJRCBIBTCE-SFHVURJKSA-N 1 1 353.491 4.046 20 30 FIEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000534863240 1116246548 /nfs/dbraw/zinc/24/65/48/1116246548.db2.gz AXWSLJRCBIBTCE-SFHVURJKSA-N 1 1 353.491 4.046 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000442677157 1116252216 /nfs/dbraw/zinc/25/22/16/1116252216.db2.gz DNISZLVVNRBCMM-OXQOHEQNSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000442677157 1116252218 /nfs/dbraw/zinc/25/22/18/1116252218.db2.gz DNISZLVVNRBCMM-OXQOHEQNSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000442677153 1116252285 /nfs/dbraw/zinc/25/22/85/1116252285.db2.gz DNISZLVVNRBCMM-JXFKEZNVSA-N 1 1 373.456 4.260 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000442677153 1116252287 /nfs/dbraw/zinc/25/22/87/1116252287.db2.gz DNISZLVVNRBCMM-JXFKEZNVSA-N 1 1 373.456 4.260 20 30 FIEDMO COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000491233162 1116252358 /nfs/dbraw/zinc/25/23/58/1116252358.db2.gz ZBKXHQBQUBWYDY-OAQYLSRUSA-N 1 1 362.473 4.378 20 30 FIEDMO Cn1c2ccc(Nc3c(C#N)nnc4ccccc43)cc2[nH+]c1C(C)(C)C ZINC000535543465 1116322116 /nfs/dbraw/zinc/32/21/16/1116322116.db2.gz QGXSEOVGGXQMMM-UHFFFAOYSA-N 1 1 356.433 4.429 20 30 FIEDMO C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000462260741 1116335499 /nfs/dbraw/zinc/33/54/99/1116335499.db2.gz ULYUMFZVWIRRQQ-OALUTQOASA-N 1 1 367.537 4.165 20 30 FIEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462594267 1116376353 /nfs/dbraw/zinc/37/63/53/1116376353.db2.gz QSAUHIPNIOVPGD-SJLPKXTDSA-N 1 1 365.880 4.203 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000462594267 1116376356 /nfs/dbraw/zinc/37/63/56/1116376356.db2.gz QSAUHIPNIOVPGD-SJLPKXTDSA-N 1 1 365.880 4.203 20 30 FIEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462594268 1116376457 /nfs/dbraw/zinc/37/64/57/1116376457.db2.gz QSAUHIPNIOVPGD-WMZOPIPTSA-N 1 1 365.880 4.203 20 30 FIEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000462594268 1116376459 /nfs/dbraw/zinc/37/64/59/1116376459.db2.gz QSAUHIPNIOVPGD-WMZOPIPTSA-N 1 1 365.880 4.203 20 30 FIEDMO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000539827193 1116387138 /nfs/dbraw/zinc/38/71/38/1116387138.db2.gz GZTXMBWUYSJVHX-VQTJNVASSA-N 1 1 350.462 4.284 20 30 FIEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000539827193 1116387140 /nfs/dbraw/zinc/38/71/40/1116387140.db2.gz GZTXMBWUYSJVHX-VQTJNVASSA-N 1 1 350.462 4.284 20 30 FIEDMO C=C(C)COc1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)ccc1OC ZINC000539832659 1116388369 /nfs/dbraw/zinc/38/83/69/1116388369.db2.gz SBTHRTCIUBYBRR-OAQYLSRUSA-N 1 1 367.489 4.132 20 30 FIEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000539850124 1116390714 /nfs/dbraw/zinc/39/07/14/1116390714.db2.gz JPRZXTXYRGUKNU-UHFFFAOYSA-N 1 1 350.462 4.326 20 30 FIEDMO CC(C)[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCOC1 ZINC000462866588 1117825707 /nfs/dbraw/zinc/82/57/07/1117825707.db2.gz ONQQFMQTNCFWIS-NRFANRHFSA-N 1 1 350.462 4.137 20 30 FIEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nc2c(cc1C#N)CCC2 ZINC000462869116 1117826678 /nfs/dbraw/zinc/82/66/78/1117826678.db2.gz DOVJVOFUFXVFKX-UHFFFAOYSA-N 1 1 372.472 4.279 20 30 FIEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000463378478 1118129668 /nfs/dbraw/zinc/12/96/68/1118129668.db2.gz YNNRJLOCNAJCOM-RUZDIDTESA-N 1 1 368.480 4.361 20 30 FIEDMO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)c1 ZINC000540635356 1118162264 /nfs/dbraw/zinc/16/22/64/1118162264.db2.gz HPJGWKJVLWYTMA-GOSISDBHSA-N 1 1 368.481 4.097 20 30 FIEDMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000463442726 1118165631 /nfs/dbraw/zinc/16/56/31/1118165631.db2.gz VSAXPRYNCDZCOE-QFIPXVFZSA-N 1 1 353.893 4.009 20 30 FIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463490216 1118181364 /nfs/dbraw/zinc/18/13/64/1118181364.db2.gz LJMJINUXGAELAD-UHFFFAOYSA-N 1 1 357.385 4.026 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463490216 1118181366 /nfs/dbraw/zinc/18/13/66/1118181366.db2.gz LJMJINUXGAELAD-UHFFFAOYSA-N 1 1 357.385 4.026 20 30 FIEDMO C=C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000541275000 1118455826 /nfs/dbraw/zinc/45/58/26/1118455826.db2.gz WAJBTVZATAKEFR-OAHLLOKOSA-N 1 1 355.507 4.208 20 30 FIEDMO C=C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000541275000 1118455830 /nfs/dbraw/zinc/45/58/30/1118455830.db2.gz WAJBTVZATAKEFR-OAHLLOKOSA-N 1 1 355.507 4.208 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 ZINC000464151691 1118458413 /nfs/dbraw/zinc/45/84/13/1118458413.db2.gz JSXAYYZJVYACCI-HSZRJFAPSA-N 1 1 363.505 4.377 20 30 FIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000541283285 1118462970 /nfs/dbraw/zinc/46/29/70/1118462970.db2.gz ZJJJVIZUVKVOLD-RBUKOAKNSA-N 1 1 361.272 4.150 20 30 FIEDMO N#Cc1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c(F)c1 ZINC000464587367 1118617366 /nfs/dbraw/zinc/61/73/66/1118617366.db2.gz NUOKUBCPLVMDNF-UHFFFAOYSA-N 1 1 368.452 4.147 20 30 FIEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000464634053 1118624668 /nfs/dbraw/zinc/62/46/68/1118624668.db2.gz ZWYKIDDPVCWDTC-LBPRGKRZSA-N 1 1 362.424 4.270 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000464723843 1118671773 /nfs/dbraw/zinc/67/17/73/1118671773.db2.gz DBTJXLJGXPQEKZ-LAUBAEHRSA-N 1 1 365.452 4.155 20 30 FIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000464723843 1118671776 /nfs/dbraw/zinc/67/17/76/1118671776.db2.gz DBTJXLJGXPQEKZ-LAUBAEHRSA-N 1 1 365.452 4.155 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464766692 1118687825 /nfs/dbraw/zinc/68/78/25/1118687825.db2.gz DDYQLOOKPGVOOP-GOSISDBHSA-N 1 1 365.502 4.001 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821543 1118705883 /nfs/dbraw/zinc/70/58/83/1118705883.db2.gz IVCWAFKBPQGCHW-WOJBJXKFSA-N 1 1 367.880 4.440 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000464821543 1118705887 /nfs/dbraw/zinc/70/58/87/1118705887.db2.gz IVCWAFKBPQGCHW-WOJBJXKFSA-N 1 1 367.880 4.440 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)o1 ZINC000464833767 1118709019 /nfs/dbraw/zinc/70/90/19/1118709019.db2.gz FZPMGMOGODFQAW-KSSFIOAISA-N 1 1 362.433 4.483 20 30 FIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)o1 ZINC000464833767 1118709020 /nfs/dbraw/zinc/70/90/20/1118709020.db2.gz FZPMGMOGODFQAW-KSSFIOAISA-N 1 1 362.433 4.483 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000464824597 1118711958 /nfs/dbraw/zinc/71/19/58/1118711958.db2.gz VRWCXPRPPHEQIG-WOJBJXKFSA-N 1 1 369.415 4.065 20 30 FIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000464824597 1118711960 /nfs/dbraw/zinc/71/19/60/1118711960.db2.gz VRWCXPRPPHEQIG-WOJBJXKFSA-N 1 1 369.415 4.065 20 30 FIEDMO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2o1 ZINC000464824462 1118712115 /nfs/dbraw/zinc/71/21/15/1118712115.db2.gz AAKUDMWKYILDJO-UXHICEINSA-N 1 1 374.440 4.491 20 30 FIEDMO COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2o1 ZINC000464824462 1118712116 /nfs/dbraw/zinc/71/21/16/1118712116.db2.gz AAKUDMWKYILDJO-UXHICEINSA-N 1 1 374.440 4.491 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000464840279 1118718274 /nfs/dbraw/zinc/71/82/74/1118718274.db2.gz TXKWOWRBSCBITK-YLJYHZDGSA-N 1 1 365.477 4.308 20 30 FIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000464840279 1118718276 /nfs/dbraw/zinc/71/82/76/1118718276.db2.gz TXKWOWRBSCBITK-YLJYHZDGSA-N 1 1 365.477 4.308 20 30 FIEDMO CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464846026 1118719607 /nfs/dbraw/zinc/71/96/07/1118719607.db2.gz IJJCIVUAAWDIPU-DYESRHJHSA-N 1 1 359.489 4.363 20 30 FIEDMO N#Cc1c(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cn2ccccc12 ZINC000443661419 1118743715 /nfs/dbraw/zinc/74/37/15/1118743715.db2.gz XGTQTWOMKKCHEB-HNNXBMFYSA-N 1 1 374.419 4.471 20 30 FIEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000443657712 1118751795 /nfs/dbraw/zinc/75/17/95/1118751795.db2.gz UJKDSBLTIWCFCV-MRXNPFEDSA-N 1 1 365.408 4.097 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000542135229 1118811179 /nfs/dbraw/zinc/81/11/79/1118811179.db2.gz RGYLQMBLOIFUIT-HXUWFJFHSA-N 1 1 366.461 4.048 20 30 FIEDMO CC[N@@H+](CCC1CCN(c2ncc(Cl)c(C)c2C#N)CC1)CC1CC1 ZINC000542207919 1118851619 /nfs/dbraw/zinc/85/16/19/1118851619.db2.gz HWIYZRGYJHXZBS-UHFFFAOYSA-N 1 1 360.933 4.254 20 30 FIEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000542226003 1118858172 /nfs/dbraw/zinc/85/81/72/1118858172.db2.gz WODFYIPUEZMBPB-UHFFFAOYSA-N 1 1 370.456 4.032 20 30 FIEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)c1 ZINC000542322701 1118904719 /nfs/dbraw/zinc/90/47/19/1118904719.db2.gz WHCMKVKGINWVIN-LJQANCHMSA-N 1 1 358.445 4.215 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(C#N)cc1 ZINC000609152033 1118944162 /nfs/dbraw/zinc/94/41/62/1118944162.db2.gz TZAUBFHOKOIVBM-QGZVFWFLSA-N 1 1 363.461 4.064 20 30 FIEDMO C=CC[N@H+](CCc1ccco1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000491424004 1118947162 /nfs/dbraw/zinc/94/71/62/1118947162.db2.gz QXPRRMULLZYAJU-UHFFFAOYSA-N 1 1 361.445 4.061 20 30 FIEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000491424004 1118947165 /nfs/dbraw/zinc/94/71/65/1118947165.db2.gz QXPRRMULLZYAJU-UHFFFAOYSA-N 1 1 361.445 4.061 20 30 FIEDMO CCC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCCCO1 ZINC000492543537 1119123642 /nfs/dbraw/zinc/12/36/42/1119123642.db2.gz ZKKLZHJEEOZLTD-INIZCTEOSA-N 1 1 351.288 4.102 20 30 FIEDMO CCC[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCCCO1 ZINC000492543537 1119123647 /nfs/dbraw/zinc/12/36/47/1119123647.db2.gz ZKKLZHJEEOZLTD-INIZCTEOSA-N 1 1 351.288 4.102 20 30 FIEDMO CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCCO1 ZINC000174852511 1119156987 /nfs/dbraw/zinc/15/69/87/1119156987.db2.gz VJMMVQDSMBAGBV-GOSISDBHSA-N 1 1 367.493 4.019 20 30 FIEDMO CCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCCO1 ZINC000174852511 1119156993 /nfs/dbraw/zinc/15/69/93/1119156993.db2.gz VJMMVQDSMBAGBV-GOSISDBHSA-N 1 1 367.493 4.019 20 30 FIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000174880704 1119158840 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C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670018363 1119483238 /nfs/dbraw/zinc/48/32/38/1119483238.db2.gz WZPKMRJGKRBKFL-GYISXVGNSA-N 1 1 361.917 4.128 20 30 FIEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828785 1119560210 /nfs/dbraw/zinc/56/02/10/1119560210.db2.gz BORMFSVOMVGWRA-UYAOXDASSA-N 1 1 355.526 4.037 20 30 FIEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000182883128 1119561582 /nfs/dbraw/zinc/56/15/82/1119561582.db2.gz MFBYKFGBSPUAFB-QGZVFWFLSA-N 1 1 364.493 4.130 20 30 FIEDMO C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101366 1119565843 /nfs/dbraw/zinc/56/58/43/1119565843.db2.gz LFFCNADOJMSPHL-QUCCMNQESA-N 1 1 355.526 4.112 20 30 FIEDMO C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101366 1119565847 /nfs/dbraw/zinc/56/58/47/1119565847.db2.gz LFFCNADOJMSPHL-QUCCMNQESA-N 1 1 355.526 4.112 20 30 FIEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185963212 1119697522 /nfs/dbraw/zinc/69/75/22/1119697522.db2.gz FTHYMIGXQUKZTM-DHSIGJKJSA-N 1 1 352.881 4.190 20 30 FIEDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000494471387 1119873420 /nfs/dbraw/zinc/87/34/20/1119873420.db2.gz FXHPMOGQZBSNKJ-SNVBAGLBSA-N 1 1 367.302 4.475 20 30 FIEDMO C=C1CCC(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127294649 1119972681 /nfs/dbraw/zinc/97/26/81/1119972681.db2.gz VSPIGIWEYJOUGF-FQEVSTJZSA-N 1 1 364.493 4.015 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000191416084 1119976117 /nfs/dbraw/zinc/97/61/17/1119976117.db2.gz VZZLIQQJFLPOLG-LJQANCHMSA-N 1 1 373.541 4.017 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000191416101 1119976406 /nfs/dbraw/zinc/97/64/06/1119976406.db2.gz VZZLIQQJFLPOLG-IBGZPJMESA-N 1 1 373.541 4.017 20 30 FIEDMO CC(C)(CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000914557522 1120361431 /nfs/dbraw/zinc/36/14/31/1120361431.db2.gz HVUXOYZOSXWRKN-OYKKKHCWSA-N 1 1 359.473 4.196 20 30 FIEDMO C=CC[N@@H+](Cc1cc(Cl)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000494943076 1120392194 /nfs/dbraw/zinc/39/21/94/1120392194.db2.gz SXXXPPKRIYGONH-ZDUSSCGKSA-N 1 1 359.886 4.126 20 30 FIEDMO Oc1ccc(Br)cc1/C=N/CCC[N@H+]1CCc2ccccc2C1 ZINC000914702174 1120479370 /nfs/dbraw/zinc/47/93/70/1120479370.db2.gz YEYHSMFAGKXANW-FYJGNVAPSA-N 1 1 373.294 4.022 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000914785234 1120537432 /nfs/dbraw/zinc/53/74/32/1120537432.db2.gz UKXPYCCSPTXBQW-WBVHZDCISA-N 1 1 357.527 4.130 20 30 FIEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000914785234 1120537435 /nfs/dbraw/zinc/53/74/35/1120537435.db2.gz UKXPYCCSPTXBQW-WBVHZDCISA-N 1 1 357.527 4.130 20 30 FIEDMO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000914787684 1120538167 /nfs/dbraw/zinc/53/81/67/1120538167.db2.gz FSOKOOKXLCFLIS-KRWDZBQOSA-N 1 1 357.457 4.357 20 30 FIEDMO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000914787684 1120538171 /nfs/dbraw/zinc/53/81/71/1120538171.db2.gz FSOKOOKXLCFLIS-KRWDZBQOSA-N 1 1 357.457 4.357 20 30 FIEDMO CC(C)[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccn21 ZINC000495378684 1120762700 /nfs/dbraw/zinc/76/27/00/1120762700.db2.gz DSQWYNPHQXIDAD-GOSISDBHSA-N 1 1 372.394 4.087 20 30 FIEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000193489627 1120924860 /nfs/dbraw/zinc/92/48/60/1120924860.db2.gz CIQNTZABRYXLAG-QFIPXVFZSA-N 1 1 359.404 4.015 20 30 FIEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ncc1F)c1ccncc1 ZINC000762755640 1120958619 /nfs/dbraw/zinc/95/86/19/1120958619.db2.gz ATSUMDGXQREKAE-XHDPSFHLSA-N 1 1 350.235 4.346 20 30 FIEDMO C=CCOc1c(Br)cc(CNc2[nH+]cccc2C)cc1OC ZINC000237294627 1120975876 /nfs/dbraw/zinc/97/58/76/1120975876.db2.gz VQNPELJQQZJMGI-UHFFFAOYSA-N 1 1 363.255 4.338 20 30 FIEDMO 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1121434468 /nfs/dbraw/zinc/43/44/68/1121434468.db2.gz GVJLBSJBZBLAFP-IBGZPJMESA-N 1 1 361.489 4.169 20 30 FIEDMO CC(C)CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000108358190 1121532062 /nfs/dbraw/zinc/53/20/62/1121532062.db2.gz SAXBVFUJMBRMPJ-MRXNPFEDSA-N 1 1 359.539 4.387 20 30 FIEDMO N#Cc1cccc(OCCC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000763412537 1121582394 /nfs/dbraw/zinc/58/23/94/1121582394.db2.gz GHJBLGJNJQAJDH-PZJWPPBQSA-N 1 1 368.477 4.288 20 30 FIEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000916638259 1121588975 /nfs/dbraw/zinc/58/89/75/1121588975.db2.gz CKGOIMHYXQTBQD-YPAWHYETSA-N 1 1 374.488 4.090 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000553106180 1121630419 /nfs/dbraw/zinc/63/04/19/1121630419.db2.gz SYXLBPAPWYPJJZ-QFBILLFUSA-N 1 1 374.410 4.467 20 30 FIEDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC001168604828 1121956122 /nfs/dbraw/zinc/95/61/22/1121956122.db2.gz 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CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617468 1122319576 /nfs/dbraw/zinc/31/95/76/1122319576.db2.gz DTIFBEVXWSRILX-HNAYVOBHSA-N 1 1 358.869 4.034 20 30 FIEDMO CCOc1cccc(/C=N\C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1O ZINC000917559971 1122352897 /nfs/dbraw/zinc/35/28/97/1122352897.db2.gz YIZUAAZPOXFBNC-CFRMEGHHSA-N 1 1 374.431 4.153 20 30 FIEDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130183462 1122775219 /nfs/dbraw/zinc/77/52/19/1122775219.db2.gz VSMIZPNFZPHYAE-NRFANRHFSA-N 1 1 364.493 4.028 20 30 FIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130183462 1122775220 /nfs/dbraw/zinc/77/52/20/1122775220.db2.gz VSMIZPNFZPHYAE-NRFANRHFSA-N 1 1 364.493 4.028 20 30 FIEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498421935 1122789510 /nfs/dbraw/zinc/78/95/10/1122789510.db2.gz WLMNEBXLQZNZCR-ROUUACIJSA-N 1 1 350.453 4.207 20 30 FIEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498421935 1122789513 /nfs/dbraw/zinc/78/95/13/1122789513.db2.gz WLMNEBXLQZNZCR-ROUUACIJSA-N 1 1 350.453 4.207 20 30 FIEDMO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)c1 ZINC000556296823 1122793650 /nfs/dbraw/zinc/79/36/50/1122793650.db2.gz RSXXINWAPSJNOW-KRWDZBQOSA-N 1 1 365.433 4.029 20 30 FIEDMO CC(C)[N@H+](CCCC#N)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000071014512 1122843634 /nfs/dbraw/zinc/84/36/34/1122843634.db2.gz ILCLWVPAMBZAPJ-UHFFFAOYSA-N 1 1 361.795 4.311 20 30 FIEDMO CC(C)[N@@H+](CCCC#N)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000071014512 1122843641 /nfs/dbraw/zinc/84/36/41/1122843641.db2.gz ILCLWVPAMBZAPJ-UHFFFAOYSA-N 1 1 361.795 4.311 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000072879279 1123171812 /nfs/dbraw/zinc/17/18/12/1123171812.db2.gz SWJZOTYFOPCGET-HZPDHXFCSA-N 1 1 355.869 4.326 20 30 FIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132904297 1123379474 /nfs/dbraw/zinc/37/94/74/1123379474.db2.gz 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CC[N@@H+](CC(=O)NCC#N)Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000609799702 1123838604 /nfs/dbraw/zinc/83/86/04/1123838604.db2.gz DJOHREOASFJVQP-UHFFFAOYSA-N 1 1 369.534 4.174 20 30 FIEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000609801433 1123838794 /nfs/dbraw/zinc/83/87/94/1123838794.db2.gz SSNIIAXGHYHJAN-QFIPXVFZSA-N 1 1 361.489 4.100 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000609822922 1123850526 /nfs/dbraw/zinc/85/05/26/1123850526.db2.gz UBYXEUOOEMMREP-INIZCTEOSA-N 1 1 373.422 4.456 20 30 FIEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000609822922 1123850534 /nfs/dbraw/zinc/85/05/34/1123850534.db2.gz UBYXEUOOEMMREP-INIZCTEOSA-N 1 1 373.422 4.456 20 30 FIEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610013568 1123919980 /nfs/dbraw/zinc/91/99/80/1123919980.db2.gz ONDYLHCLLVJXQL-FPOVZHCZSA-N 1 1 368.477 4.011 20 30 FIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000610079657 1123934369 /nfs/dbraw/zinc/93/43/69/1123934369.db2.gz YWZWMDFFWZSZQP-NQIIRXRSSA-N 1 1 368.477 4.071 20 30 FIEDMO N#Cc1nnc2ccccc2c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000610130253 1123949077 /nfs/dbraw/zinc/94/90/77/1123949077.db2.gz CILAYYGYDWCYMI-YQQQUEKLSA-N 1 1 369.472 4.109 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000610132789 1123949460 /nfs/dbraw/zinc/94/94/60/1123949460.db2.gz HMSUMUYYRKBEAH-HXUWFJFHSA-N 1 1 350.462 4.043 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc1OC ZINC000137079543 1123960973 /nfs/dbraw/zinc/96/09/73/1123960973.db2.gz ZPDRZWKJLHELAU-SFHVURJKSA-N 1 1 357.450 4.337 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075842957 1123995240 /nfs/dbraw/zinc/99/52/40/1123995240.db2.gz GICQRWRFPYOCJB-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075842957 1123995244 /nfs/dbraw/zinc/99/52/44/1123995244.db2.gz GICQRWRFPYOCJB-IFXJQAMLSA-N 1 1 362.408 4.330 20 30 FIEDMO C[C@H]1C[C@@H](N(C)c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000301567393 1124242256 /nfs/dbraw/zinc/24/22/56/1124242256.db2.gz KBGPYCOHNLKUBE-RDJZCZTQSA-N 1 1 354.885 4.096 20 30 FIEDMO N#Cc1cc(NCCc2[nH+]ccn2Cc2ccccc2)ccc1C(F)(F)F ZINC000301729223 1124255033 /nfs/dbraw/zinc/25/50/33/1124255033.db2.gz CFRJOZSLKZXPPI-UHFFFAOYSA-N 1 1 370.378 4.476 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1F ZINC000301809857 1124261678 /nfs/dbraw/zinc/26/16/78/1124261678.db2.gz GOZUCHXRQBNMIH-UHFFFAOYSA-N 1 1 357.392 4.352 20 30 FIEDMO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301981953 1124275192 /nfs/dbraw/zinc/27/51/92/1124275192.db2.gz QNMCAODPQDHOMG-QWHCGFSZSA-N 1 1 353.278 4.179 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301981953 1124275195 /nfs/dbraw/zinc/27/51/95/1124275195.db2.gz QNMCAODPQDHOMG-QWHCGFSZSA-N 1 1 353.278 4.179 20 30 FIEDMO C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508896294 1124280180 /nfs/dbraw/zinc/28/01/80/1124280180.db2.gz RYFQROGHXJEQHY-OALUTQOASA-N 1 1 373.589 4.144 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000302157618 1124288642 /nfs/dbraw/zinc/28/86/42/1124288642.db2.gz FTYFPDGCJJOOCU-MRXNPFEDSA-N 1 1 364.449 4.453 20 30 FIEDMO N#CC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000057387850 1124319782 /nfs/dbraw/zinc/31/97/82/1124319782.db2.gz AAAIKIIIFOBZKM-SFHVURJKSA-N 1 1 359.901 4.067 20 30 FIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000303089251 1124394940 /nfs/dbraw/zinc/39/49/40/1124394940.db2.gz CNLFWBLSDUCTSG-JOCHJYFZSA-N 1 1 372.468 4.097 20 30 FIEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000069044319 1124467261 /nfs/dbraw/zinc/46/72/61/1124467261.db2.gz UNLLAIMJXDJNAD-GOSISDBHSA-N 1 1 361.489 4.075 20 30 FIEDMO C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)c1ccc(C#N)cc1 ZINC000230306952 1124480645 /nfs/dbraw/zinc/48/06/45/1124480645.db2.gz YOOIPYVFYCCURV-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cnc2Cl)ccc1OC ZINC000921739281 1124493509 /nfs/dbraw/zinc/49/35/09/1124493509.db2.gz ZIASXOPRILXJFM-INIZCTEOSA-N 1 1 359.857 4.023 20 30 FIEDMO C=CCn1c(C2CCC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000508904628 1124705561 /nfs/dbraw/zinc/70/55/61/1124705561.db2.gz VAVQOHCELFVGNU-SFHVURJKSA-N 1 1 371.573 4.213 20 30 FIEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247534496 1124714172 /nfs/dbraw/zinc/71/41/72/1124714172.db2.gz XWKALQNRNWJOFY-SJORKVTESA-N 1 1 374.554 4.467 20 30 FIEDMO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1-c1ccccc1 ZINC000110304514 1124733232 /nfs/dbraw/zinc/73/32/32/1124733232.db2.gz XZZPHYKCBGJXKO-UHFFFAOYSA-N 1 1 361.470 4.357 20 30 FIEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1-c1ccccc1 ZINC000110304514 1124733238 /nfs/dbraw/zinc/73/32/38/1124733238.db2.gz XZZPHYKCBGJXKO-UHFFFAOYSA-N 1 1 361.470 4.357 20 30 FIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001212325340 1124773885 /nfs/dbraw/zinc/77/38/85/1124773885.db2.gz PCVKMYFTZPSSHH-NSHDSACASA-N 1 1 361.726 4.351 20 30 FIEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000249428147 1124859042 /nfs/dbraw/zinc/85/90/42/1124859042.db2.gz IDMFCWZIZZFTKJ-MAUKXSAKSA-N 1 1 364.892 4.335 20 30 FIEDMO C=C[C@](C)(CCOC)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865871 1124904133 /nfs/dbraw/zinc/90/41/33/1124904133.db2.gz UHMBPZBKTZHARV-HXUWFJFHSA-N 1 1 373.522 4.058 20 30 FIEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645705 1124911440 /nfs/dbraw/zinc/91/14/40/1124911440.db2.gz DGFNUIOUQIDTIA-OAHLLOKOSA-N 1 1 357.417 4.063 20 30 FIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645705 1124911443 /nfs/dbraw/zinc/91/14/43/1124911443.db2.gz DGFNUIOUQIDTIA-OAHLLOKOSA-N 1 1 357.417 4.063 20 30 FIEDMO N#Cc1cc(C[NH+]2CCC(c3ccccc3Br)CC2)ccn1 ZINC000615243427 1124911481 /nfs/dbraw/zinc/91/14/81/1124911481.db2.gz JIHFORMGZVXEHU-UHFFFAOYSA-N 1 1 356.267 4.095 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000253309365 1124916950 /nfs/dbraw/zinc/91/69/50/1124916950.db2.gz DOFFVGNODAIBSV-MJGOQNOKSA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000253309365 1124916954 /nfs/dbraw/zinc/91/69/54/1124916954.db2.gz DOFFVGNODAIBSV-MJGOQNOKSA-N 1 1 368.868 4.087 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1ccccc1Br ZINC000181515086 1124993933 /nfs/dbraw/zinc/99/39/33/1124993933.db2.gz ONJQIJHFSNIVGT-UHFFFAOYSA-N 1 1 359.267 4.354 20 30 FIEDMO N#CCC[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000090664574 1125012142 /nfs/dbraw/zinc/01/21/42/1125012142.db2.gz NASILRZBDWVAJC-QHCPKHFHSA-N 1 1 365.496 4.467 20 30 FIEDMO N#CC(CC[N@H+]1CCC[C@H](n2ccnc2)C1)(c1ccccc1)c1ccccc1 ZINC000618280044 1125137069 /nfs/dbraw/zinc/13/70/69/1125137069.db2.gz RXZJULJIHQOAOR-QHCPKHFHSA-N 1 1 370.500 4.420 20 30 FIEDMO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847398 1125157208 /nfs/dbraw/zinc/15/72/08/1125157208.db2.gz CZYFKHYIICQOSK-OALUTQOASA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847398 1125157214 /nfs/dbraw/zinc/15/72/14/1125157214.db2.gz CZYFKHYIICQOSK-OALUTQOASA-N 1 1 351.494 4.150 20 30 FIEDMO C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847398 1125157216 /nfs/dbraw/zinc/15/72/16/1125157216.db2.gz CZYFKHYIICQOSK-OALUTQOASA-N 1 1 351.494 4.150 20 30 FIEDMO Cc1c[nH+]ccc1OC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000618586873 1125210493 /nfs/dbraw/zinc/21/04/93/1125210493.db2.gz UVNOSLUTLXUHRC-UHFFFAOYSA-N 1 1 350.466 4.002 20 30 FIEDMO Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618593460 1125212295 /nfs/dbraw/zinc/21/22/95/1125212295.db2.gz DQAYVBABRITJGO-KBPBESRZSA-N 1 1 350.306 4.429 20 30 FIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093324601 1125301777 /nfs/dbraw/zinc/30/17/77/1125301777.db2.gz RAHUQFNDCUDMSJ-GOSISDBHSA-N 1 1 374.488 4.232 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499617936 1125307828 /nfs/dbraw/zinc/30/78/28/1125307828.db2.gz GRQZBIDFMXKYKU-KURKYZTESA-N 1 1 366.427 4.060 20 30 FIEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2C1 ZINC000132200400 1125401639 /nfs/dbraw/zinc/40/16/39/1125401639.db2.gz CRLRLKOVHILGEF-UHFFFAOYSA-N 1 1 369.415 4.450 20 30 FIEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000619073429 1125446943 /nfs/dbraw/zinc/44/69/43/1125446943.db2.gz TYWKXNFNVJSGND-GOSISDBHSA-N 1 1 351.498 4.117 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000053157768 221043906 /nfs/dbraw/zinc/04/39/06/221043906.db2.gz QVOLGDQCGJKESE-MRXNPFEDSA-N 1 1 359.882 4.439 20 30 FIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Br)cc1F ZINC000602927773 568019053 /nfs/dbraw/zinc/01/90/53/568019053.db2.gz YKYBVFHLUQKGQI-UHFFFAOYSA-N 1 1 369.278 4.121 20 30 FIEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000065254239 568047500 /nfs/dbraw/zinc/04/75/00/568047500.db2.gz DVXUIPGQDRYKBE-FQEVSTJZSA-N 1 1 361.489 4.150 20 30 FIEDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)c1ccc(C#N)cc1 ZINC000541916144 568231359 /nfs/dbraw/zinc/23/13/59/568231359.db2.gz BYYXZLPWJURQGQ-FZKQIMNGSA-N 1 1 359.267 4.095 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303637141 568268150 /nfs/dbraw/zinc/26/81/50/568268150.db2.gz ZYVOSIXGOJBAEN-PGRDOPGGSA-N 1 1 369.484 4.283 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC000031053776 568322390 /nfs/dbraw/zinc/32/23/90/568322390.db2.gz KXRPRDHUNCGHLG-UHFFFAOYSA-N 1 1 362.260 4.326 20 30 FIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569810855 568426737 /nfs/dbraw/zinc/42/67/37/568426737.db2.gz GSFUSQCZZBBHGJ-SFHVURJKSA-N 1 1 353.857 4.083 20 30 FIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000569810855 568426739 /nfs/dbraw/zinc/42/67/39/568426739.db2.gz GSFUSQCZZBBHGJ-SFHVURJKSA-N 1 1 353.857 4.083 20 30 FIEDMO CCc1noc(C)c1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328602537 571323778 /nfs/dbraw/zinc/32/37/78/571323778.db2.gz BZOFBDQSFHVTFG-DYESRHJHSA-N 1 1 353.466 4.436 20 30 FIEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633363 1125471367 /nfs/dbraw/zinc/47/13/67/1125471367.db2.gz ULMUIUHEQKCTBR-IRXDYDNUSA-N 1 1 352.400 4.019 20 30 FIEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000499633363 1125471373 /nfs/dbraw/zinc/47/13/73/1125471373.db2.gz ULMUIUHEQKCTBR-IRXDYDNUSA-N 1 1 352.400 4.019 20 30 FIEDMO Cc1c(C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)cnn1C ZINC000619184306 1125518848 /nfs/dbraw/zinc/51/88/48/1125518848.db2.gz IKZZWNGLOYHYKR-UHFFFAOYSA-N 1 1 358.489 4.060 20 30 FIEDMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)cc1OCCCC#N ZINC000093845540 1125533297 /nfs/dbraw/zinc/53/32/97/1125533297.db2.gz XPSCIQXVYWXGFK-FQEVSTJZSA-N 1 1 367.493 4.443 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1Cl ZINC000619618658 1125630742 /nfs/dbraw/zinc/63/07/42/1125630742.db2.gz LJPCHTBKINJUCM-UHFFFAOYSA-N 1 1 366.852 4.132 20 30 FIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182854779 1125651823 /nfs/dbraw/zinc/65/18/23/1125651823.db2.gz VTHKRUPZQOQMHK-AWEZNQCLSA-N 1 1 364.424 4.051 20 30 FIEDMO Cc1cc(Cl)c2ncc(C#N)c(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000619792263 1125706638 /nfs/dbraw/zinc/70/66/38/1125706638.db2.gz QUMMXCUKOBWYIL-UHFFFAOYSA-N 1 1 351.841 4.175 20 30 FIEDMO C=C(C)CN1CCC([NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000153007790 1125715132 /nfs/dbraw/zinc/71/51/32/1125715132.db2.gz SWSKUQHSALWYSL-SFHVURJKSA-N 1 1 356.432 4.023 20 30 FIEDMO C[C@H]1C[C@@H](N(C)c2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000557586695 1079548191 /nfs/dbraw/zinc/54/81/91/1079548191.db2.gz WGYRUZJDQWYJIL-YJBOKZPZSA-N 1 1 354.885 4.096 20 30 FIEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000610211319 1079963836 /nfs/dbraw/zinc/96/38/36/1079963836.db2.gz MQAVCPFMSIHFDH-UHFFFAOYSA-N 1 1 356.473 4.127 20 30 FIEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3C3CCCCC3)C2=O)cc1 ZINC001167073049 1080018848 /nfs/dbraw/zinc/01/88/48/1080018848.db2.gz YYFPSZKJWKLLAX-LEWJYISDSA-N 1 1 351.494 4.098 20 30 FIEDMO C=C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001625820868 1080305098 /nfs/dbraw/zinc/30/50/98/1080305098.db2.gz AQIMSRJKLFKNGE-FYYLOGMGSA-N 1 1 362.517 4.375 20 30 FIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000032888313 1080402870 /nfs/dbraw/zinc/40/28/70/1080402870.db2.gz NWLSPLREFAGOHY-FQEVSTJZSA-N 1 1 361.445 4.165 20 30 FIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)c(OC)c1 ZINC000032888313 1080402877 /nfs/dbraw/zinc/40/28/77/1080402877.db2.gz NWLSPLREFAGOHY-FQEVSTJZSA-N 1 1 361.445 4.165 20 30 FIEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C1CC1)C1CC1 ZINC000065243468 1080491062 /nfs/dbraw/zinc/49/10/62/1080491062.db2.gz SSKAUUKSPLUPTF-UHFFFAOYSA-N 1 1 371.550 4.338 20 30 FIEDMO Cc1cccc2c1ncc(C#N)c2N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000610244908 1080512713 /nfs/dbraw/zinc/51/27/13/1080512713.db2.gz ARGCBKHDRVYLQB-POHAHGRESA-N 1 1 368.484 4.250 20 30 FIEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)ccn2)cc(C)c1OCC(F)(F)F ZINC001167107243 1080551293 /nfs/dbraw/zinc/55/12/93/1080551293.db2.gz ASUKFSAHIGNRTJ-UHFFFAOYSA-N 1 1 363.383 4.143 20 30 FIEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)ccn2)cc(C)c1OCC(F)(F)F ZINC001167107243 1080551301 /nfs/dbraw/zinc/55/13/01/1080551301.db2.gz ASUKFSAHIGNRTJ-UHFFFAOYSA-N 1 1 363.383 4.143 20 30 FIEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC001204437366 1080559489 /nfs/dbraw/zinc/55/94/89/1080559489.db2.gz AEUPIUQUBWLQOI-UHFFFAOYSA-N 1 1 368.930 4.402 20 30 FIEDMO C=CCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001209444355 1080705623 /nfs/dbraw/zinc/70/56/23/1080705623.db2.gz PLXICFDEISZSNC-MOPGFXCFSA-N 1 1 361.555 4.349 20 30 FIEDMO Cc1cc(C)cc(NC(=O)CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000328658417 1080723224 /nfs/dbraw/zinc/72/32/24/1080723224.db2.gz QZSZLVKWOIBELY-SFHVURJKSA-N 1 1 366.509 4.304 20 30 FIEDMO Clc1cccc(C#CC[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430347902 1080776943 /nfs/dbraw/zinc/77/69/43/1080776943.db2.gz QUXHWCNJGYKQKE-UHFFFAOYSA-N 1 1 361.876 4.226 20 30 FIEDMO Clc1cccc(C#CC[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430347902 1080776952 /nfs/dbraw/zinc/77/69/52/1080776952.db2.gz QUXHWCNJGYKQKE-UHFFFAOYSA-N 1 1 361.876 4.226 20 30 FIEDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2C(F)(F)F)CCC[C@@]1(O)C(F)(F)F ZINC001204456609 1080797049 /nfs/dbraw/zinc/79/70/49/1080797049.db2.gz LQOSRDCNAPNCNB-YGRLFVJLSA-N 1 1 373.312 4.370 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2C(F)(F)F)CCC[C@@]1(O)C(F)(F)F ZINC001204456609 1080797056 /nfs/dbraw/zinc/79/70/56/1080797056.db2.gz LQOSRDCNAPNCNB-YGRLFVJLSA-N 1 1 373.312 4.370 20 30 FIEDMO C#CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@H]1CCc2ccccc21 ZINC001167179103 1080798646 /nfs/dbraw/zinc/79/86/46/1080798646.db2.gz VRKGVLVMAWJJJF-ZCYQVOJMSA-N 1 1 372.512 4.185 20 30 FIEDMO C#CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@H]1CCc2ccccc21 ZINC001167179103 1080798651 /nfs/dbraw/zinc/79/86/51/1080798651.db2.gz VRKGVLVMAWJJJF-ZCYQVOJMSA-N 1 1 372.512 4.185 20 30 FIEDMO CC(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001167241240 1080899665 /nfs/dbraw/zinc/89/96/65/1080899665.db2.gz UULJLFUYFIXPJZ-UHFFFAOYSA-N 1 1 364.358 4.230 20 30 FIEDMO COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccco1 ZINC000177571560 1081225927 /nfs/dbraw/zinc/22/59/27/1081225927.db2.gz UKORGRIUSINXBV-OAQYLSRUSA-N 1 1 362.429 4.208 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)cc1 ZINC000177616594 1081255452 /nfs/dbraw/zinc/25/54/52/1081255452.db2.gz FQSQXBIVUWKFAR-VMPITWQZSA-N 1 1 362.820 4.378 20 30 FIEDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N ZINC000135001169 1081379230 /nfs/dbraw/zinc/37/92/30/1081379230.db2.gz XTHDYLSBMCPAAF-UHFFFAOYSA-N 1 1 368.864 4.315 20 30 FIEDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)ccc1OCc1cccc(C#N)c1 ZINC000121150437 1081537525 /nfs/dbraw/zinc/53/75/25/1081537525.db2.gz ULJYTXFQSFIUDI-IBGZPJMESA-N 1 1 368.502 4.083 20 30 FIEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610395016 1081737435 /nfs/dbraw/zinc/73/74/35/1081737435.db2.gz JPAHPASWPHSCPU-KLAILNCOSA-N 1 1 357.523 4.284 20 30 FIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000177742075 1081787764 /nfs/dbraw/zinc/78/77/64/1081787764.db2.gz SMZOYCACTKSDLB-QWHCGFSZSA-N 1 1 361.898 4.336 20 30 FIEDMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000579632390 1081938498 /nfs/dbraw/zinc/93/84/98/1081938498.db2.gz WHZHHQNVJFOBKC-INIZCTEOSA-N 1 1 357.461 4.004 20 30 FIEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000255959715 1082301472 /nfs/dbraw/zinc/30/14/72/1082301472.db2.gz CQVRKVGEONAMCS-LSDHHAIUSA-N 1 1 369.431 4.096 20 30 FIEDMO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CCC(C)(C)C#N ZINC001167447476 1082330978 /nfs/dbraw/zinc/33/09/78/1082330978.db2.gz MEEAVBUTLYAVSY-UXHICEINSA-N 1 1 371.525 4.438 20 30 FIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001167458487 1082532223 /nfs/dbraw/zinc/53/22/23/1082532223.db2.gz VBYMWLDOWAMCNY-UWJYYQICSA-N 1 1 355.526 4.451 20 30 FIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000051064233 1082647498 /nfs/dbraw/zinc/64/74/98/1082647498.db2.gz OFKHEBMDNPWNFD-GOSISDBHSA-N 1 1 367.518 4.212 20 30 FIEDMO Cc1cccc(NC(=[NH2+])NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000134549421 1082707070 /nfs/dbraw/zinc/70/70/70/1082707070.db2.gz FALUZELIICVDKI-HNAYVOBHSA-N 1 1 374.891 4.207 20 30 FIEDMO C[N@@H+](CCOc1ccccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131918 1082736288 /nfs/dbraw/zinc/73/62/88/1082736288.db2.gz VPPSNJOFMKBYKJ-IFMALSPDSA-N 1 1 350.462 4.037 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)sc2c1CCCC2 ZINC000477561446 1082909612 /nfs/dbraw/zinc/90/96/12/1082909612.db2.gz HPDAEBHDQAUXGK-QGZVFWFLSA-N 1 1 357.523 4.092 20 30 FIEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430662885 1082922756 /nfs/dbraw/zinc/92/27/56/1082922756.db2.gz KWUSKBYRYMYFNE-UYAOXDASSA-N 1 1 364.489 4.034 20 30 FIEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(CC(F)(F)F)s2)C2CC2)cc1 ZINC000891596189 1082958347 /nfs/dbraw/zinc/95/83/47/1082958347.db2.gz OGYQQYYMARSKLS-UHFFFAOYSA-N 1 1 351.397 4.284 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2cnc(CC(F)(F)F)s2)C2CC2)cc1 ZINC000891596189 1082958349 /nfs/dbraw/zinc/95/83/49/1082958349.db2.gz OGYQQYYMARSKLS-UHFFFAOYSA-N 1 1 351.397 4.284 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 ZINC000255379759 1083001431 /nfs/dbraw/zinc/00/14/31/1083001431.db2.gz FEWVXFXVECBYHC-GHXNOFRVSA-N 1 1 354.413 4.263 20 30 FIEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000510535548 1083145998 /nfs/dbraw/zinc/14/59/98/1083145998.db2.gz BZRRHKVEQZMNDG-UHFFFAOYSA-N 1 1 367.493 4.413 20 30 FIEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000548866267 1083400735 /nfs/dbraw/zinc/40/07/35/1083400735.db2.gz MAGDJGCFNWFUPI-UHFFFAOYSA-N 1 1 370.456 4.326 20 30 FIEDMO CC(C)[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCCCCC1 ZINC000520952151 1083423496 /nfs/dbraw/zinc/42/34/96/1083423496.db2.gz GOEXFKQJLFWFMH-QFIPXVFZSA-N 1 1 357.542 4.359 20 30 FIEDMO COCCOc1cccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000255730937 1083452948 /nfs/dbraw/zinc/45/29/48/1083452948.db2.gz YJBZDAJRCOTYFN-WDZFZDKYSA-N 1 1 362.429 4.102 20 30 FIEDMO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167350 1083485695 /nfs/dbraw/zinc/48/56/95/1083485695.db2.gz XBMZDADBKUMXNB-KRWDZBQOSA-N 1 1 351.288 4.016 20 30 FIEDMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167350 1083485700 /nfs/dbraw/zinc/48/57/00/1083485700.db2.gz XBMZDADBKUMXNB-KRWDZBQOSA-N 1 1 351.288 4.016 20 30 FIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000610783316 1083501873 /nfs/dbraw/zinc/50/18/73/1083501873.db2.gz WLRFRUZOJWUYMT-LJQANCHMSA-N 1 1 353.491 4.204 20 30 FIEDMO N#Cc1sc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1Cl ZINC000310350376 1083501976 /nfs/dbraw/zinc/50/19/76/1083501976.db2.gz GZSUUMSPVYSNRJ-OAHLLOKOSA-N 1 1 360.914 4.382 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255779518 1083540350 /nfs/dbraw/zinc/54/03/50/1083540350.db2.gz YICRENGLWCHKBZ-VJIACCKLSA-N 1 1 365.521 4.075 20 30 FIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000535792215 1083665049 /nfs/dbraw/zinc/66/50/49/1083665049.db2.gz OTRSSVZWTSEZJS-STQMWFEESA-N 1 1 357.454 4.095 20 30 FIEDMO C=C(C)COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000535809088 1083695941 /nfs/dbraw/zinc/69/59/41/1083695941.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 1 1 370.537 4.099 20 30 FIEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1OC ZINC000535809088 1083695977 /nfs/dbraw/zinc/69/59/77/1083695977.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 1 1 370.537 4.099 20 30 FIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1OC ZINC000535809088 1083695989 /nfs/dbraw/zinc/69/59/89/1083695989.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 1 1 370.537 4.099 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC3CCCCC3)CC2)cc1 ZINC000247633005 1083738686 /nfs/dbraw/zinc/73/86/86/1083738686.db2.gz BVWQOPLPTFRNTP-UHFFFAOYSA-N 1 1 367.537 4.343 20 30 FIEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000055855467 1083866603 /nfs/dbraw/zinc/86/66/03/1083866603.db2.gz SDZVZIAEZGEYET-QFIPXVFZSA-N 1 1 359.404 4.015 20 30 FIEDMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)C#N)cc1 ZINC000612585957 1083927608 /nfs/dbraw/zinc/92/76/08/1083927608.db2.gz ZVSWXJMIPNYBSF-UHFFFAOYSA-N 1 1 360.461 4.187 20 30 FIEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000588996086 1083959690 /nfs/dbraw/zinc/95/96/90/1083959690.db2.gz RNOCFTJJWCLKAR-HOTGVXAUSA-N 1 1 362.543 4.323 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673682 1084010790 /nfs/dbraw/zinc/01/07/90/1084010790.db2.gz AYSRSQYZYUDLCU-FPOVZHCZSA-N 1 1 357.542 4.427 20 30 FIEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673684 1084011370 /nfs/dbraw/zinc/01/13/70/1084011370.db2.gz AYSRSQYZYUDLCU-TZIWHRDSSA-N 1 1 357.542 4.427 20 30 FIEDMO CCCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(OC)cc1 ZINC000538201908 1084017489 /nfs/dbraw/zinc/01/74/89/1084017489.db2.gz SXVIMLLLNSJMTB-NRFANRHFSA-N 1 1 366.461 4.375 20 30 FIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000187699761 1084034708 /nfs/dbraw/zinc/03/47/08/1084034708.db2.gz XQGSMGKLFINXDH-CQSZACIVSA-N 1 1 356.491 4.490 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 ZINC000177616462 1084162464 /nfs/dbraw/zinc/16/24/64/1084162464.db2.gz BHLKLDGVYYPQJN-VOTSOKGWSA-N 1 1 368.849 4.439 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000071842209 1084178598 /nfs/dbraw/zinc/17/85/98/1084178598.db2.gz ZUGHARSDIPTXDA-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000071842209 1084178603 /nfs/dbraw/zinc/17/86/03/1084178603.db2.gz ZUGHARSDIPTXDA-ZDUSSCGKSA-N 1 1 361.367 4.036 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000110006899 1084186302 /nfs/dbraw/zinc/18/63/02/1084186302.db2.gz OOGOLTGDVJEFOV-SFHVURJKSA-N 1 1 362.408 4.127 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)s1 ZINC000180054156 1084213033 /nfs/dbraw/zinc/21/30/33/1084213033.db2.gz IKEOHYYYIURTCD-JTQLQIEISA-N 1 1 357.426 4.475 20 30 FIEDMO CC(C)(C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1cc(F)cc(C#N)c1 ZINC000376145490 1084235809 /nfs/dbraw/zinc/23/58/09/1084235809.db2.gz ZEWMQJLWBMCJLD-UHFFFAOYSA-N 1 1 363.436 4.092 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000472115547 1084374655 /nfs/dbraw/zinc/37/46/55/1084374655.db2.gz PBJLQOZKIOYODR-CTNGQTDRSA-N 1 1 369.553 4.427 20 30 FIEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000173122026 1084574888 /nfs/dbraw/zinc/57/48/88/1084574888.db2.gz GZVJSPYRHRJSAZ-HNNXBMFYSA-N 1 1 371.510 4.188 20 30 FIEDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000467184278 1084612229 /nfs/dbraw/zinc/61/22/29/1084612229.db2.gz BZEUIWQOTBJROS-SFHVURJKSA-N 1 1 373.294 4.094 20 30 FIEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000467184278 1084612238 /nfs/dbraw/zinc/61/22/38/1084612238.db2.gz BZEUIWQOTBJROS-SFHVURJKSA-N 1 1 373.294 4.094 20 30 FIEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(-c4ccccc4C#N)cc3)cn2c1 ZINC000551593038 1084687989 /nfs/dbraw/zinc/68/79/89/1084687989.db2.gz IUAJRSLLYHUHAH-UHFFFAOYSA-N 1 1 352.441 4.471 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128241355 1084834886 /nfs/dbraw/zinc/83/48/86/1084834886.db2.gz UMVRHYDCZSBDGU-NVXWUHKLSA-N 1 1 355.507 4.022 20 30 FIEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000128241355 1084834888 /nfs/dbraw/zinc/83/48/88/1084834888.db2.gz UMVRHYDCZSBDGU-NVXWUHKLSA-N 1 1 355.507 4.022 20 30 FIEDMO N#Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587485 1084874979 /nfs/dbraw/zinc/87/49/79/1084874979.db2.gz CZZLHUPBHJZUHZ-QZNHQXDQSA-N 1 1 363.480 4.088 20 30 FIEDMO N#Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000609455745 1085053108 /nfs/dbraw/zinc/05/31/08/1085053108.db2.gz RVMGMKSHPSGBAO-QGZVFWFLSA-N 1 1 373.909 4.058 20 30 FIEDMO N#Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000609455745 1085053115 /nfs/dbraw/zinc/05/31/15/1085053115.db2.gz RVMGMKSHPSGBAO-QGZVFWFLSA-N 1 1 373.909 4.058 20 30 FIEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1C#N ZINC001167582270 1085103631 /nfs/dbraw/zinc/10/36/31/1085103631.db2.gz NGIOZHVNFOQUFS-DEOSSOPVSA-N 1 1 374.484 4.215 20 30 FIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cc1 ZINC000092783289 1085297175 /nfs/dbraw/zinc/29/71/75/1085297175.db2.gz FEFOWWBFAXAZFX-HXUWFJFHSA-N 1 1 350.462 4.367 20 30 FIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)C1 ZINC000661376708 1085537624 /nfs/dbraw/zinc/53/76/24/1085537624.db2.gz FWBNAKFVGUCLTB-MRXNPFEDSA-N 1 1 364.449 4.488 20 30 FIEDMO Cc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cc1C ZINC000075766184 1085546494 /nfs/dbraw/zinc/54/64/94/1085546494.db2.gz ZVROMXVZYBGUFI-UHFFFAOYSA-N 1 1 358.445 4.390 20 30 FIEDMO Cc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cc1C ZINC000075766184 1085546502 /nfs/dbraw/zinc/54/65/02/1085546502.db2.gz ZVROMXVZYBGUFI-UHFFFAOYSA-N 1 1 358.445 4.390 20 30 FIEDMO N#Cc1ccc2nc(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2c1 ZINC000548759740 1085555894 /nfs/dbraw/zinc/55/58/94/1085555894.db2.gz COEJJFZIOSUALJ-SFHVURJKSA-N 1 1 357.461 4.023 20 30 FIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCOc1ccccc1C#N ZINC000065604313 1085661129 /nfs/dbraw/zinc/66/11/29/1085661129.db2.gz WCXFTDQGDSUTJP-UHFFFAOYSA-N 1 1 374.488 4.180 20 30 FIEDMO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447763 1085720847 /nfs/dbraw/zinc/72/08/47/1085720847.db2.gz GTISYWMXXUYISZ-ZIAGYGMSSA-N 1 1 373.312 4.241 20 30 FIEDMO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC001143447763 1085720853 /nfs/dbraw/zinc/72/08/53/1085720853.db2.gz GTISYWMXXUYISZ-ZIAGYGMSSA-N 1 1 373.312 4.241 20 30 FIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786265 1085857921 /nfs/dbraw/zinc/85/79/21/1085857921.db2.gz SCUYVTPKPHTXKX-INIZCTEOSA-N 1 1 356.445 4.385 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)c(-c2ccncc2)n1 ZINC000582942528 1085940851 /nfs/dbraw/zinc/94/08/51/1085940851.db2.gz AUEZRXFXLNHGSQ-NRFANRHFSA-N 1 1 363.509 4.403 20 30 FIEDMO C[N@@H+](CCc1nccs1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093844078 1086212399 /nfs/dbraw/zinc/21/23/99/1086212399.db2.gz LWAPLHJFIQBEDK-UHFFFAOYSA-N 1 1 363.486 4.268 20 30 FIEDMO CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000514892651 1086318586 /nfs/dbraw/zinc/31/85/86/1086318586.db2.gz HNDYEHXXPYFNMV-INIZCTEOSA-N 1 1 351.288 4.100 20 30 FIEDMO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000052189727 1086419323 /nfs/dbraw/zinc/41/93/23/1086419323.db2.gz MAXRLQYMTHDYEZ-GOSISDBHSA-N 1 1 368.308 4.012 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000052189727 1086419327 /nfs/dbraw/zinc/41/93/27/1086419327.db2.gz MAXRLQYMTHDYEZ-GOSISDBHSA-N 1 1 368.308 4.012 20 30 FIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000900000166 1086534806 /nfs/dbraw/zinc/53/48/06/1086534806.db2.gz CKUXWQWZFBVMQX-GOSISDBHSA-N 1 1 350.422 4.067 20 30 FIEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000105418525 1086550903 /nfs/dbraw/zinc/55/09/03/1086550903.db2.gz MKPNLYGWUAWGDW-CYBMUJFWSA-N 1 1 359.832 4.372 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)cc1Cl ZINC000105492241 1086560329 /nfs/dbraw/zinc/56/03/29/1086560329.db2.gz CPXRMJCOIKVGRC-IBGZPJMESA-N 1 1 353.853 4.377 20 30 FIEDMO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC000512038142 1086686605 /nfs/dbraw/zinc/68/66/05/1086686605.db2.gz IRCUPOYVZQOSFE-UHFFFAOYSA-N 1 1 357.251 4.108 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccc1OC(F)F ZINC000512055380 1086717025 /nfs/dbraw/zinc/71/70/25/1086717025.db2.gz BYJPYXWIEPWIBP-UHFFFAOYSA-N 1 1 358.388 4.356 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccc1OC(F)F ZINC000512055380 1086717029 /nfs/dbraw/zinc/71/70/29/1086717029.db2.gz BYJPYXWIEPWIBP-UHFFFAOYSA-N 1 1 358.388 4.356 20 30 FIEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000583550242 1086791277 /nfs/dbraw/zinc/79/12/77/1086791277.db2.gz OAVPBBBNHIUEKV-OAQYLSRUSA-N 1 1 370.541 4.183 20 30 FIEDMO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247426584 1087017408 /nfs/dbraw/zinc/01/74/08/1087017408.db2.gz OIXFUDAJSACLFB-JXFKEZNVSA-N 1 1 370.518 4.126 20 30 FIEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000248016975 1087085542 /nfs/dbraw/zinc/08/55/42/1087085542.db2.gz SSAVVSDHXIPJQI-NRFANRHFSA-N 1 1 354.881 4.220 20 30 FIEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000187960184 1087260732 /nfs/dbraw/zinc/26/07/32/1087260732.db2.gz JFXRHQYYGXMSJM-UHFFFAOYSA-N 1 1 359.408 4.046 20 30 FIEDMO N#Cc1ccc(CCNc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)cc1 ZINC001167676722 1087516259 /nfs/dbraw/zinc/51/62/59/1087516259.db2.gz GEYLERZYXRFREH-UHFFFAOYSA-N 1 1 357.417 4.252 20 30 FIEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329849609 1087525662 /nfs/dbraw/zinc/52/56/62/1087525662.db2.gz PZJDTYGJTRFULM-CCKFTAQKSA-N 1 1 353.466 4.101 20 30 FIEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329849609 1087525666 /nfs/dbraw/zinc/52/56/66/1087525666.db2.gz PZJDTYGJTRFULM-CCKFTAQKSA-N 1 1 353.466 4.101 20 30 FIEDMO COC(=O)c1cccc(-c2ccc(NCCc3ccc(C#N)cc3)[nH+]c2C)c1 ZINC001167678459 1087614163 /nfs/dbraw/zinc/61/41/63/1087614163.db2.gz JBQLDWTZFRMVHB-UHFFFAOYSA-N 1 1 371.440 4.370 20 30 FIEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000664373402 1087729792 /nfs/dbraw/zinc/72/97/92/1087729792.db2.gz GNOAPYMSPIVMOG-SJLPKXTDSA-N 1 1 352.482 4.239 20 30 FIEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424746688 1088200560 /nfs/dbraw/zinc/20/05/60/1088200560.db2.gz LTKFEMBTAMPZKG-WMLDXEAASA-N 1 1 352.881 4.190 20 30 FIEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1 ZINC000181225702 1088267455 /nfs/dbraw/zinc/26/74/55/1088267455.db2.gz PFUSHDWNPBEGLQ-GFCCVEGCSA-N 1 1 372.266 4.130 20 30 FIEDMO CC(C)[N@H+]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000505295453 1088329292 /nfs/dbraw/zinc/32/92/92/1088329292.db2.gz IHXCHYWQTHSKII-UHFFFAOYSA-N 1 1 363.505 4.053 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189537278 1088492401 /nfs/dbraw/zinc/49/24/01/1088492401.db2.gz DOFFVGNODAIBSV-PKOBYXMFSA-N 1 1 368.868 4.087 20 30 FIEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189537278 1088492412 /nfs/dbraw/zinc/49/24/12/1088492412.db2.gz DOFFVGNODAIBSV-PKOBYXMFSA-N 1 1 368.868 4.087 20 30 FIEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513976605 1088575567 /nfs/dbraw/zinc/57/55/67/1088575567.db2.gz ZUBSUPZGPKOLCJ-LNZPYGSCSA-N 1 1 373.500 4.391 20 30 FIEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1OC ZINC000514082885 1088721815 /nfs/dbraw/zinc/72/18/15/1088721815.db2.gz IZXLJEKYFGUFNF-VGOFRKELSA-N 1 1 353.462 4.222 20 30 FIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1OC ZINC000514082885 1088721827 /nfs/dbraw/zinc/72/18/27/1088721827.db2.gz IZXLJEKYFGUFNF-VGOFRKELSA-N 1 1 353.462 4.222 20 30 FIEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC12CCOCC2 ZINC000414523095 1088811031 /nfs/dbraw/zinc/81/10/31/1088811031.db2.gz COQPLASDHLRGIM-QGZVFWFLSA-N 1 1 352.400 4.214 20 30 FIEDMO C=C(C)CCSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000505474457 1088951678 /nfs/dbraw/zinc/95/16/78/1088951678.db2.gz PRTLAXOOZYOQLQ-KRWDZBQOSA-N 1 1 360.527 4.347 20 30 FIEDMO Cc1occc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000434715820 1088958146 /nfs/dbraw/zinc/95/81/46/1088958146.db2.gz BVHWWTVTMHRCCM-CYBMUJFWSA-N 1 1 371.506 4.107 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000434830173 1089055896 /nfs/dbraw/zinc/05/58/96/1089055896.db2.gz RTIISRQRUGBBLA-UHFFFAOYSA-N 1 1 371.412 4.059 20 30 FIEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434901761 1089121120 /nfs/dbraw/zinc/12/11/20/1089121120.db2.gz YWRKJFMVFVLINR-NNMXDRDESA-N 1 1 361.489 4.200 20 30 FIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000434909527 1089130775 /nfs/dbraw/zinc/13/07/75/1089130775.db2.gz NMXMMDHHJCNWCB-QHCPKHFHSA-N 1 1 361.489 4.232 20 30 FIEDMO Cc1csc([C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000892856837 1089194481 /nfs/dbraw/zinc/19/44/81/1089194481.db2.gz XIZWGQQVXWDHIA-HNNXBMFYSA-N 1 1 351.479 4.080 20 30 FIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000505596503 1089251232 /nfs/dbraw/zinc/25/12/32/1089251232.db2.gz LCOKGZMHJWJTGY-DYESRHJHSA-N 1 1 361.489 4.194 20 30 FIEDMO N#CCCn1cc(C[N@@H+](CC2CCCCC2)C2CC2)c(-c2ccncc2)n1 ZINC000435127282 1089309964 /nfs/dbraw/zinc/30/99/64/1089309964.db2.gz BFGNWMMVSMDYKI-UHFFFAOYSA-N 1 1 363.509 4.403 20 30 FIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435127858 1089311418 /nfs/dbraw/zinc/31/14/18/1089311418.db2.gz APKMELXKNOKUBU-IBGZPJMESA-N 1 1 351.498 4.259 20 30 FIEDMO COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OCCCC#N ZINC000430136085 1089358764 /nfs/dbraw/zinc/35/87/64/1089358764.db2.gz RTQPDDHGIUVJIA-KRWDZBQOSA-N 1 1 366.461 4.161 20 30 FIEDMO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OCCCC#N ZINC000430136085 1089358779 /nfs/dbraw/zinc/35/87/79/1089358779.db2.gz RTQPDDHGIUVJIA-KRWDZBQOSA-N 1 1 366.461 4.161 20 30 FIEDMO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000549280509 1089543495 /nfs/dbraw/zinc/54/34/95/1089543495.db2.gz QWWQTFGQKWYJNE-MRXNPFEDSA-N 1 1 371.554 4.066 20 30 FIEDMO CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000136806087 1089631003 /nfs/dbraw/zinc/63/10/03/1089631003.db2.gz VYDABADXJRSHSZ-UHFFFAOYSA-N 1 1 365.477 4.196 20 30 FIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCOC[C@H](C)C1 ZINC000328674135 1089789833 /nfs/dbraw/zinc/78/98/33/1089789833.db2.gz JPCKVFCYMMJZPI-HZPDHXFCSA-N 1 1 374.481 4.063 20 30 FIEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCOC[C@H](C)C1 ZINC000328674135 1089789850 /nfs/dbraw/zinc/78/98/50/1089789850.db2.gz JPCKVFCYMMJZPI-HZPDHXFCSA-N 1 1 374.481 4.063 20 30 FIEDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000515268051 1089928001 /nfs/dbraw/zinc/92/80/01/1089928001.db2.gz LRADTBBPQAUDRA-VXKWHMMOSA-N 1 1 356.473 4.438 20 30 FIEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425410607 1089956509 /nfs/dbraw/zinc/95/65/09/1089956509.db2.gz CMZDYFMKIJTMSV-OTWHNJEPSA-N 1 1 370.541 4.019 20 30 FIEDMO C=C(C)Cn1c(-c2sccc2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C 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IFMIVMHQHGZAAG-UHFFFAOYSA-N 1 1 373.913 4.243 20 30 FIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000162534521 1091007847 /nfs/dbraw/zinc/00/78/47/1091007847.db2.gz YZOAEIWLARFTDP-OXJNMPFZSA-N 1 1 364.445 4.086 20 30 FIEDMO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCC1 ZINC000418135508 1091074089 /nfs/dbraw/zinc/07/40/89/1091074089.db2.gz AUNSPEMRBLTTNF-UHFFFAOYSA-N 1 1 356.473 4.382 20 30 FIEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000418144377 1091077711 /nfs/dbraw/zinc/07/77/11/1091077711.db2.gz SZNCDTNOOAPEHC-HXUWFJFHSA-N 1 1 365.477 4.116 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312730937 1091326796 /nfs/dbraw/zinc/32/67/96/1091326796.db2.gz WBVVSJFZFSCLDY-INIZCTEOSA-N 1 1 374.410 4.296 20 30 FIEDMO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312730939 1091329868 /nfs/dbraw/zinc/32/98/68/1091329868.db2.gz WBVVSJFZFSCLDY-MRXNPFEDSA-N 1 1 374.410 4.296 20 30 FIEDMO Clc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000511664921 1091518698 /nfs/dbraw/zinc/51/86/98/1091518698.db2.gz PYEQLWWLBTZNOJ-FSSWDIPSSA-N 1 1 351.877 4.196 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029856 1091555174 /nfs/dbraw/zinc/55/51/74/1091555174.db2.gz DRJAFYXXICGQQY-HXUWFJFHSA-N 1 1 369.415 4.392 20 30 FIEDMO Cc1ccc(-c2cnn(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)c2)cc1 ZINC000728903122 1091852220 /nfs/dbraw/zinc/85/22/20/1091852220.db2.gz KDLIELBNQLLLRL-UHFFFAOYSA-N 1 1 372.472 4.231 20 30 FIEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2c2cccs2)c(-c2ccncc2)n1 ZINC000279413727 1091897122 /nfs/dbraw/zinc/89/71/22/1091897122.db2.gz OCWOASMKWJCPBH-SFHVURJKSA-N 1 1 363.490 4.257 20 30 FIEDMO N#Cc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(Cl)c1 ZINC000512263805 1091976273 /nfs/dbraw/zinc/97/62/73/1091976273.db2.gz UOKDYLLVSJXNKH-JOCHJYFZSA-N 1 1 365.908 4.310 20 30 FIEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500591267 1092262137 /nfs/dbraw/zinc/26/21/37/1092262137.db2.gz LEHKFIVTFWZQOG-INIZCTEOSA-N 1 1 360.436 4.129 20 30 FIEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000438898717 1092467897 /nfs/dbraw/zinc/46/78/97/1092467897.db2.gz XKLDTBNSPMINEK-KRWDZBQOSA-N 1 1 361.489 4.029 20 30 FIEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000438905291 1092525153 /nfs/dbraw/zinc/52/51/53/1092525153.db2.gz YOELJSWWFGLWQG-QGZVFWFLSA-N 1 1 361.489 4.029 20 30 FIEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2ccccc2Br)C2CC2)cc1 ZINC000178616848 1092534810 /nfs/dbraw/zinc/53/48/10/1092534810.db2.gz BVPNMIIQFJVCSL-IBGZPJMESA-N 1 1 371.278 4.019 20 30 FIEDMO C[NH+](C)Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1Cl ZINC000500788586 1092569308 /nfs/dbraw/zinc/56/93/08/1092569308.db2.gz SULATJQQWRBRQM-INIZCTEOSA-N 1 1 355.869 4.428 20 30 FIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1Cl ZINC000521196580 1092573887 /nfs/dbraw/zinc/57/38/87/1092573887.db2.gz NQKWMPQMXYEXCZ-LJQANCHMSA-N 1 1 372.896 4.110 20 30 FIEDMO C[C@@H]1C[C@@H](N[C@H](C#N)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015174 1092961274 /nfs/dbraw/zinc/96/12/74/1092961274.db2.gz PHNBVJIUAFJJMZ-WOSNLTMFSA-N 1 1 351.469 4.422 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000573744435 1092968337 /nfs/dbraw/zinc/96/83/37/1092968337.db2.gz FVQIDJZGPZJLNR-QFIPXVFZSA-N 1 1 360.436 4.029 20 30 FIEDMO COCC[N@@H+](C)CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512623314 1093000709 /nfs/dbraw/zinc/00/07/09/1093000709.db2.gz FBEKVVIWFZKVCM-JTSKRJEESA-N 1 1 369.484 4.058 20 30 FIEDMO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512629742 1093035702 /nfs/dbraw/zinc/03/57/02/1093035702.db2.gz KCLOERGGWISAPT-NSHDSACASA-N 1 1 350.340 4.158 20 30 FIEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000614167982 1093036883 /nfs/dbraw/zinc/03/68/83/1093036883.db2.gz IVPHBGRGQZFIFN-NRFANRHFSA-N 1 1 361.489 4.115 20 30 FIEDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1ccc(C#N)cc1F ZINC000512665865 1093107024 /nfs/dbraw/zinc/10/70/24/1093107024.db2.gz HOSQBOYNEMBTFC-OAHLLOKOSA-N 1 1 374.419 4.195 20 30 FIEDMO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)Nc1ccccc1SCC#N ZINC000113265951 1093109941 /nfs/dbraw/zinc/10/99/41/1093109941.db2.gz NJQFPOWWPWBTPH-UHFFFAOYSA-N 1 1 373.909 4.069 20 30 FIEDMO C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)Nc1ccccc1SCC#N ZINC000113265951 1093109947 /nfs/dbraw/zinc/10/99/47/1093109947.db2.gz NJQFPOWWPWBTPH-UHFFFAOYSA-N 1 1 373.909 4.069 20 30 FIEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000433032803 1093136961 /nfs/dbraw/zinc/13/69/61/1093136961.db2.gz SELUPMINBSGVCP-SFHVURJKSA-N 1 1 350.397 4.400 20 30 FIEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000593044986 1093166145 /nfs/dbraw/zinc/16/61/45/1093166145.db2.gz FCHYTPQBUXECLC-CQSZACIVSA-N 1 1 359.520 4.061 20 30 FIEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000614222256 1093248330 /nfs/dbraw/zinc/24/83/30/1093248330.db2.gz CLELTYVZEGKPQW-QGZVFWFLSA-N 1 1 358.283 4.169 20 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/nfs/dbraw/zinc/42/51/02/1093425102.db2.gz RQTZKVFBIIVUNT-KRWDZBQOSA-N 1 1 355.438 4.011 20 30 FIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1OCCCC#N ZINC000509815358 1093425110 /nfs/dbraw/zinc/42/51/10/1093425110.db2.gz RQTZKVFBIIVUNT-KRWDZBQOSA-N 1 1 355.438 4.011 20 30 FIEDMO N#CC(CC[N@@H+]1CC[C@@H](COC(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000512852356 1093450265 /nfs/dbraw/zinc/45/02/65/1093450265.db2.gz UVODAJMINIKAAG-GOSISDBHSA-N 1 1 370.443 4.447 20 30 FIEDMO N#Cc1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(Cl)c1 ZINC000474189593 1093564060 /nfs/dbraw/zinc/56/40/60/1093564060.db2.gz LFJVYXWSIVOILW-OAQYLSRUSA-N 1 1 366.896 4.099 20 30 FIEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC001141814766 1093584306 /nfs/dbraw/zinc/58/43/06/1093584306.db2.gz NZFJQNLQDWEYGO-UHFFFAOYSA-N 1 1 359.267 4.004 20 30 FIEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000513077944 1093780374 /nfs/dbraw/zinc/78/03/74/1093780374.db2.gz WEVWGZNTDNHPCR-ZBWQPJPKSA-N 1 1 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C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000729266651 1093954625 /nfs/dbraw/zinc/95/46/25/1093954625.db2.gz ADXFBEHCVMXVNX-KRWDZBQOSA-N 1 1 369.896 4.121 20 30 FIEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000513231324 1094014354 /nfs/dbraw/zinc/01/43/54/1094014354.db2.gz HPBHOYJCGZISJG-ACJLOTCBSA-N 1 1 353.491 4.258 20 30 FIEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)c(C#N)c1C ZINC000513231324 1094014361 /nfs/dbraw/zinc/01/43/61/1094014361.db2.gz HPBHOYJCGZISJG-ACJLOTCBSA-N 1 1 353.491 4.258 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000513237234 1094031556 /nfs/dbraw/zinc/03/15/56/1094031556.db2.gz WOKKFFQCMBNKRH-KUHUBIRLSA-N 1 1 353.853 4.233 20 30 FIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000513382802 1094088100 /nfs/dbraw/zinc/08/81/00/1094088100.db2.gz ZAWWZGPERZUTKB-HXUWFJFHSA-N 1 1 364.445 4.435 20 30 FIEDMO CCc1ccc([C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000513369967 1094088594 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C=C(C)[C@H]([NH2+]CC(=O)Nc1nc(CC)c(C)s1)c1ccc(F)c(F)c1 ZINC000481613172 1112995805 /nfs/dbraw/zinc/99/58/05/1112995805.db2.gz OCKMLSCBJJLGNQ-KRWDZBQOSA-N 1 1 365.449 4.138 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000481619103 1112998596 /nfs/dbraw/zinc/99/85/96/1112998596.db2.gz FGANHMKDQPIEMW-KRWDZBQOSA-N 1 1 370.852 4.203 20 30 FIEDMO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000482175108 1113192867 /nfs/dbraw/zinc/19/28/67/1113192867.db2.gz YURMJPOIBVBLOO-SPEDKVCISA-N 1 1 351.494 4.104 20 30 FIEDMO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000159938071 1113273100 /nfs/dbraw/zinc/27/31/00/1113273100.db2.gz XCHNMYZBEMEFGW-UHFFFAOYSA-N 1 1 352.425 4.467 20 30 FIEDMO Cn1cc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000482570134 1113300455 /nfs/dbraw/zinc/30/04/55/1113300455.db2.gz SQHOWAOTFZASPN-QHCPKHFHSA-N 1 1 374.463 4.261 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000482864029 1113384018 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CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554308838 1124326519 /nfs/dbraw/zinc/32/65/19/1124326519.db2.gz GLSFCHLSJRZWSG-SFHVURJKSA-N 1 1 371.868 4.242 20 30 FIEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000542802796 1124341481 /nfs/dbraw/zinc/34/14/81/1124341481.db2.gz XIVWNHNAMVAMSX-BLGFXRMMSA-N 1 1 351.475 4.126 20 30 FIEDMO C[N@H+]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302829946 1124356742 /nfs/dbraw/zinc/35/67/42/1124356742.db2.gz PRJMPDLTMFBNAW-FPOVZHCZSA-N 1 1 364.399 4.242 20 30 FIEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC000303000253 1124380136 /nfs/dbraw/zinc/38/01/36/1124380136.db2.gz OBXJARKLJQSGGG-QGZVFWFLSA-N 1 1 353.853 4.030 20 30 FIEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246275999 1124432407 /nfs/dbraw/zinc/43/24/07/1124432407.db2.gz BAPJRJUDAQDTAX-IAGOWNOFSA-N 1 1 374.554 4.180 20 30 FIEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246279258 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355.526 4.308 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267393 1124889687 /nfs/dbraw/zinc/88/96/87/1124889687.db2.gz TVDRSMRSBOETOS-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267393 1124889694 /nfs/dbraw/zinc/88/96/94/1124889694.db2.gz TVDRSMRSBOETOS-GFCCVEGCSA-N 1 1 362.260 4.324 20 30 FIEDMO C=CCn1c(-c2cc(C)cs2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000624849105 1124991999 /nfs/dbraw/zinc/99/19/99/1124991999.db2.gz BMXHRKHRBFNLSD-UHFFFAOYSA-N 1 1 373.570 4.058 20 30 FIEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1=O ZINC000499519791 1124992196 /nfs/dbraw/zinc/99/21/96/1124992196.db2.gz BPISMXKLTFXSOW-DLBZAZTESA-N 1 1 352.400 4.019 20 30 FIEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000112622986 1125014569 /nfs/dbraw/zinc/01/45/69/1125014569.db2.gz APAFMLFNWVLXQM-DEOSSOPVSA-N 1 1 372.468 4.399 20 30 FIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)C12CCC2 ZINC000092041085 1125114600 /nfs/dbraw/zinc/11/46/00/1125114600.db2.gz OQDIMXIHWHUZFE-NHCUHLMSSA-N 1 1 372.509 4.157 20 30 FIEDMO C[C@@H](NC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000181784096 1125135602 /nfs/dbraw/zinc/13/56/02/1125135602.db2.gz IJFIKDQZUASTAN-RBUKOAKNSA-N 1 1 363.505 4.109 20 30 FIEDMO C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000181784272 1125135660 /nfs/dbraw/zinc/13/56/60/1125135660.db2.gz MYCJYQZPHFEOQV-MOPGFXCFSA-N 1 1 363.505 4.109 20 30 FIEDMO N#Cc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000922086225 1125301243 /nfs/dbraw/zinc/30/12/43/1125301243.db2.gz FGNLCBXOUSKCAO-AWEZNQCLSA-N 1 1 360.788 4.115 20 30 FIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093361855 1125314446 /nfs/dbraw/zinc/31/44/46/1125314446.db2.gz AVPRIXFKSCTUBS-GOSISDBHSA-N 1 1 362.539 4.485 20 30 FIEDMO C=C[C@@H](CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001128346601 1125440060 /nfs/dbraw/zinc/44/00/60/1125440060.db2.gz IIUQVNSAGCPUBQ-REWPJTCUSA-N 1 1 362.517 4.373 20 30 FIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093593206 1125452009 /nfs/dbraw/zinc/45/20/09/1125452009.db2.gz OCRAIDFPPUPIOH-IBGZPJMESA-N 1 1 350.462 4.367 20 30 FIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1(C)C ZINC000093605152 1125453584 /nfs/dbraw/zinc/45/35/84/1125453584.db2.gz AJBHLZIJEZIKSJ-PMACEKPBSA-N 1 1 366.509 4.099 20 30 FIEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000072073590 136141870 /nfs/dbraw/zinc/14/18/70/136141870.db2.gz JSUCGICFQMWMJJ-UHFFFAOYSA-N 1 1 362.864 4.082 20 30 FIEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000568143184 567925581 /nfs/dbraw/zinc/92/55/81/567925581.db2.gz GMYHZYZISABJNG-MRXNPFEDSA-N 1 1 366.465 4.201 20 30 FIEDMO CCC[N@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccc(C#N)cc1 ZINC000159261498 568081467 /nfs/dbraw/zinc/08/14/67/568081467.db2.gz SPCLUUXJQDVOFN-UHFFFAOYSA-N 1 1 362.433 4.029 20 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719058853 /nfs/dbraw/zinc/05/88/53/719058853.db2.gz VPSVFDOOWSBZDM-IRLDBZIGSA-N 1 1 360.505 4.177 20 30 FIEDMO N#Cc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2ccccc12 ZINC001164627940 719097328 /nfs/dbraw/zinc/09/73/28/719097328.db2.gz LHOQZIORTNOCGN-AUSIDOKSSA-N 1 1 368.484 4.207 20 30 FIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc(OC)c1O ZINC000093684049 1125490646 /nfs/dbraw/zinc/49/06/46/1125490646.db2.gz CXVXFZFEHOFRIA-LJQANCHMSA-N 1 1 367.489 4.168 20 30 FIEDMO N#Cc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl ZINC000619746900 1125690196 /nfs/dbraw/zinc/69/01/96/1125690196.db2.gz SOBDRDVNJIQEPP-FQEVSTJZSA-N 1 1 367.880 4.055 20 30 FIEDMO C[NH+](C)C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000619823380 1125709909 /nfs/dbraw/zinc/70/99/09/1125709909.db2.gz YWXBMJHHGWDRIY-NHCUHLMSSA-N 1 1 353.897 4.482 20 30 FIEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000610215273 1079982663 /nfs/dbraw/zinc/98/26/63/1079982663.db2.gz OCMVHZQBQHSXJH-LSDHHAIUSA-N 1 1 359.539 4.338 20 30 FIEDMO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000109105043 1080043176 /nfs/dbraw/zinc/04/31/76/1080043176.db2.gz CSRJPKBWFXOYEE-UHFFFAOYSA-N 1 1 365.502 4.125 20 30 FIEDMO CC[C@@H](CC1CCCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510117951 1080093346 /nfs/dbraw/zinc/09/33/46/1080093346.db2.gz KQYTYJSREHULDG-QFIPXVFZSA-N 1 1 367.537 4.199 20 30 FIEDMO CC[C@@H](CC1CCCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510117951 1080093354 /nfs/dbraw/zinc/09/33/54/1080093354.db2.gz KQYTYJSREHULDG-QFIPXVFZSA-N 1 1 367.537 4.199 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134457438 1080233423 /nfs/dbraw/zinc/23/34/23/1080233423.db2.gz CZBHMPKGDLKBRU-AWEZNQCLSA-N 1 1 351.397 4.413 20 30 FIEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)cc1 ZINC001208926153 1080274366 /nfs/dbraw/zinc/27/43/66/1080274366.db2.gz HHSQBBKBFAOEGT-OAQYLSRUSA-N 1 1 354.881 4.435 20 30 FIEDMO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000510141193 1080328731 /nfs/dbraw/zinc/32/87/31/1080328731.db2.gz YSWOGACFNASRQZ-UHFFFAOYSA-N 1 1 357.251 4.108 20 30 FIEDMO CCOc1ccccc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000180039062 1080422345 /nfs/dbraw/zinc/42/23/45/1080422345.db2.gz FPBIHPIEQWMTQZ-UHFFFAOYSA-N 1 1 374.488 4.494 20 30 FIEDMO C[N@@H+](CCc1ccccn1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000120779137 1080570679 /nfs/dbraw/zinc/57/06/79/1080570679.db2.gz UTLWWDDMHPYSMA-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO C[NH+](C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1Cl ZINC000255054361 1080704301 /nfs/dbraw/zinc/70/43/01/1080704301.db2.gz WQBUDTGQHDUVBO-ZIHVZMLCSA-N 1 1 353.853 4.316 20 30 FIEDMO CCC[N@H+](Cc1ccccc1Br)C[C@H](O)c1cccc(C#N)c1 ZINC001167240471 1080896586 /nfs/dbraw/zinc/89/65/86/1080896586.db2.gz GMVYDKJRDRCSKM-IBGZPJMESA-N 1 1 373.294 4.266 20 30 FIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001167251869 1080911792 /nfs/dbraw/zinc/91/17/92/1080911792.db2.gz MJPLWDJGSCCUAW-JOCHJYFZSA-N 1 1 361.489 4.296 20 30 FIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001167251869 1080911793 /nfs/dbraw/zinc/91/17/93/1080911793.db2.gz MJPLWDJGSCCUAW-JOCHJYFZSA-N 1 1 361.489 4.296 20 30 FIEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000177258736 1081200468 /nfs/dbraw/zinc/20/04/68/1081200468.db2.gz UZGRWAOQGXEXGA-CQSZACIVSA-N 1 1 366.490 4.130 20 30 FIEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000177258736 1081200473 /nfs/dbraw/zinc/20/04/73/1081200473.db2.gz UZGRWAOQGXEXGA-CQSZACIVSA-N 1 1 366.490 4.130 20 30 FIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC000610281921 1081206398 /nfs/dbraw/zinc/20/63/98/1081206398.db2.gz ZDNYCPVVEADPMQ-OAQYLSRUSA-N 1 1 370.500 4.434 20 30 FIEDMO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000610346588 1081506020 /nfs/dbraw/zinc/50/60/20/1081506020.db2.gz XVDWVSGOQBTVDS-RYUDHWBXSA-N 1 1 352.463 4.297 20 30 FIEDMO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2cc(C#N)cs2)C1 ZINC000177686235 1081531324 /nfs/dbraw/zinc/53/13/24/1081531324.db2.gz RTYRAIIILNQFGW-IRXDYDNUSA-N 1 1 353.535 4.387 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC001167353455 1081593652 /nfs/dbraw/zinc/59/36/52/1081593652.db2.gz JGXGYSOGMFCFPK-UHFFFAOYSA-N 1 1 362.473 4.147 20 30 FIEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000580735297 1082107087 /nfs/dbraw/zinc/10/70/87/1082107087.db2.gz GJUGZWRXWVBLAT-SVFBPWRDSA-N 1 1 361.489 4.200 20 30 FIEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1C ZINC001167434830 1082141535 /nfs/dbraw/zinc/14/15/35/1082141535.db2.gz ZMPFWRKQFFEJJX-DYXWJJEUSA-N 1 1 353.510 4.203 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000581441345 1082580390 /nfs/dbraw/zinc/58/03/90/1082580390.db2.gz GEEFDFJDNCBQGA-FQEVSTJZSA-N 1 1 371.843 4.111 20 30 FIEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000581441345 1082580397 /nfs/dbraw/zinc/58/03/97/1082580397.db2.gz GEEFDFJDNCBQGA-FQEVSTJZSA-N 1 1 371.843 4.111 20 30 FIEDMO C#CCC1([NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CCC1 ZINC000933304099 1082658579 /nfs/dbraw/zinc/65/85/79/1082658579.db2.gz YTZJSLJRPIQNAT-UHFFFAOYSA-N 1 1 367.518 4.480 20 30 FIEDMO COc1cc(C[N@@H+](C)CCCOc2cccc(C#N)c2)ccc1SC ZINC000477171320 1082736327 /nfs/dbraw/zinc/73/63/27/1082736327.db2.gz OJXFGJLBENMXPP-UHFFFAOYSA-N 1 1 356.491 4.190 20 30 FIEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000430630571 1082768885 /nfs/dbraw/zinc/76/88/85/1082768885.db2.gz SKGLXJZFKATIHU-GHTZIAJQSA-N 1 1 364.489 4.034 20 30 FIEDMO Cn1nc(CCC[N@@H+](C)Cc2cc(C#N)cs2)cc1-c1ccc(F)cc1 ZINC000510449174 1082792380 /nfs/dbraw/zinc/79/23/80/1082792380.db2.gz DUXWPHADFQMDPZ-UHFFFAOYSA-N 1 1 368.481 4.224 20 30 FIEDMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000559074003 1082884120 /nfs/dbraw/zinc/88/41/20/1082884120.db2.gz RHUQRKCYWZPRSR-UNMCSNQZSA-N 1 1 371.488 4.156 20 30 FIEDMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000559074003 1082884125 /nfs/dbraw/zinc/88/41/25/1082884125.db2.gz RHUQRKCYWZPRSR-UNMCSNQZSA-N 1 1 371.488 4.156 20 30 FIEDMO CC#CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000156621282 1082941482 /nfs/dbraw/zinc/94/14/82/1082941482.db2.gz OQIWRHDRBJXBSN-UHFFFAOYSA-N 1 1 360.807 4.421 20 30 FIEDMO C=CCOc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000510732682 1083283530 /nfs/dbraw/zinc/28/35/30/1083283530.db2.gz JAOIBMRDJGPMQF-FQEVSTJZSA-N 1 1 365.477 4.038 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200490 1083546576 /nfs/dbraw/zinc/54/65/76/1083546576.db2.gz RFFBDLNTZKSWKA-SESVDKBCSA-N 1 1 351.519 4.010 20 30 FIEDMO N#Cc1csc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200490 1083546592 /nfs/dbraw/zinc/54/65/92/1083546592.db2.gz RFFBDLNTZKSWKA-SESVDKBCSA-N 1 1 351.519 4.010 20 30 FIEDMO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000179656615 1083592945 /nfs/dbraw/zinc/59/29/45/1083592945.db2.gz MDQQABTVFHYYCS-UHFFFAOYSA-N 1 1 368.864 4.315 20 30 FIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000535814930 1083688601 /nfs/dbraw/zinc/68/86/01/1083688601.db2.gz MWDCFHRTFROZCK-MRXNPFEDSA-N 1 1 368.481 4.427 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000535814930 1083688612 /nfs/dbraw/zinc/68/86/12/1083688612.db2.gz MWDCFHRTFROZCK-MRXNPFEDSA-N 1 1 368.481 4.427 20 30 FIEDMO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000610943988 1083859566 /nfs/dbraw/zinc/85/95/66/1083859566.db2.gz UFCAGNSZWFTTRN-SFHVURJKSA-N 1 1 353.466 4.054 20 30 FIEDMO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000610943988 1083859577 /nfs/dbraw/zinc/85/95/77/1083859577.db2.gz UFCAGNSZWFTTRN-SFHVURJKSA-N 1 1 353.466 4.054 20 30 FIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000588985294 1083874696 /nfs/dbraw/zinc/87/46/96/1083874696.db2.gz FBLLZASILTYZSH-QHCPKHFHSA-N 1 1 366.480 4.054 20 30 FIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000065959269 1083888287 /nfs/dbraw/zinc/88/82/87/1083888287.db2.gz XYPLVIYNYKEOOE-UHFFFAOYSA-N 1 1 374.484 4.440 20 30 FIEDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1CCC(C#N)CC1 ZINC001167511821 1084365377 /nfs/dbraw/zinc/36/53/77/1084365377.db2.gz ACGWXNUPZOYMLV-UHFFFAOYSA-N 1 1 351.288 4.307 20 30 FIEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000472113692 1084377077 /nfs/dbraw/zinc/37/70/77/1084377077.db2.gz WKUTZVVMIYHOKL-FGZHOGPDSA-N 1 1 363.505 4.220 20 30 FIEDMO CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000580221707 1084387658 /nfs/dbraw/zinc/38/76/58/1084387658.db2.gz XLVPCBBNBZRNIN-QGZVFWFLSA-N 1 1 359.477 4.339 20 30 FIEDMO N#Cc1cc(NC(=O)Cn2c[nH+]c3c2CCCC3)ccc1Oc1ccccc1 ZINC000548640126 1084407999 /nfs/dbraw/zinc/40/79/99/1084407999.db2.gz OUQDJKKFEDGYPW-UHFFFAOYSA-N 1 1 372.428 4.065 20 30 FIEDMO 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FIEDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000506137321 1100219564 /nfs/dbraw/zinc/21/95/64/1100219564.db2.gz SFQZMMQWKAAMCO-ROUUACIJSA-N 1 1 371.484 4.409 20 30 FIEDMO C=CC[N@H+](C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000536744719 1100256034 /nfs/dbraw/zinc/25/60/34/1100256034.db2.gz NPYPDEYSSATBPK-FYYLOGMGSA-N 1 1 351.490 4.112 20 30 FIEDMO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1OCCCC#N ZINC000459632189 1100366509 /nfs/dbraw/zinc/36/65/09/1100366509.db2.gz DYBUTXJQALMQTM-UHFFFAOYSA-N 1 1 356.388 4.152 20 30 FIEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)c1C#N ZINC000438491355 1100694430 /nfs/dbraw/zinc/69/44/30/1100694430.db2.gz RJTWTURZACSTLK-QGZVFWFLSA-N 1 1 356.514 4.008 20 30 FIEDMO CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383082401 1100852358 /nfs/dbraw/zinc/85/23/58/1100852358.db2.gz FVBUSGYXBZAIHI-IBGZPJMESA-N 1 1 353.897 4.166 20 30 FIEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000426122507 1100876759 /nfs/dbraw/zinc/87/67/59/1100876759.db2.gz INENTQHQNDOSBO-XWCIJXRUSA-N 1 1 356.297 4.087 20 30 FIEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000438834979 1100954108 /nfs/dbraw/zinc/95/41/08/1100954108.db2.gz BMFRSWKQOWCZOL-NSHGMRRFSA-N 1 1 370.541 4.087 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000429628695 1100969462 /nfs/dbraw/zinc/96/94/62/1100969462.db2.gz SUOLSTHDXDLVNP-ACJLOTCBSA-N 1 1 356.267 4.299 20 30 FIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000429628695 1100969463 /nfs/dbraw/zinc/96/94/63/1100969463.db2.gz SUOLSTHDXDLVNP-ACJLOTCBSA-N 1 1 356.267 4.299 20 30 FIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000437892334 1101188504 /nfs/dbraw/zinc/18/85/04/1101188504.db2.gz SAPGNOCIQHMQMX-NXHRZFHOSA-N 1 1 364.436 4.185 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000439318522 1101330536 /nfs/dbraw/zinc/33/05/36/1101330536.db2.gz PABAXONERWUGNM-APWZRJJASA-N 1 1 358.445 4.376 20 30 FIEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000439326616 1101347087 /nfs/dbraw/zinc/34/70/87/1101347087.db2.gz JUWMPCVPHIXVGX-JXFKEZNVSA-N 1 1 358.445 4.376 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1)CC(C)C ZINC000536940060 1101352651 /nfs/dbraw/zinc/35/26/51/1101352651.db2.gz VSZWLYJNYQFQPB-UHFFFAOYSA-N 1 1 374.504 4.309 20 30 FIEDMO CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000536921416 1101352697 /nfs/dbraw/zinc/35/26/97/1101352697.db2.gz RQPPZLJHTKSZLS-UHFFFAOYSA-N 1 1 369.468 4.223 20 30 FIEDMO N#Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C2CC2)cc1 ZINC000506553904 1101372455 /nfs/dbraw/zinc/37/24/55/1101372455.db2.gz FCCMTAYMQZRMSV-UHFFFAOYSA-N 1 1 364.399 4.391 20 30 FIEDMO COc1ccc(C(=O)C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426365137 1101380284 /nfs/dbraw/zinc/38/02/84/1101380284.db2.gz KQTNUHJRUADDIO-UHFFFAOYSA-N 1 1 367.876 4.295 20 30 FIEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000537016831 1101381694 /nfs/dbraw/zinc/38/16/94/1101381694.db2.gz WZAWRKLOCRFKFB-HSZRJFAPSA-N 1 1 373.500 4.248 20 30 FIEDMO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1cccc(C#N)c1)C(C)(C)C ZINC000506576717 1101438671 /nfs/dbraw/zinc/43/86/71/1101438671.db2.gz FNRQNGGLJJYUJE-UHFFFAOYSA-N 1 1 368.477 4.385 20 30 FIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000537117188 1101462451 /nfs/dbraw/zinc/46/24/51/1101462451.db2.gz UYKVAAPJNSXMSO-QFIPXVFZSA-N 1 1 358.441 4.477 20 30 FIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000537111699 1101477496 /nfs/dbraw/zinc/47/74/96/1101477496.db2.gz MCTATJQQXHHARG-CHWSQXEVSA-N 1 1 368.308 4.375 20 30 FIEDMO C[C@@H](C[NH+]1CCCCC1)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000518766119 1101525918 /nfs/dbraw/zinc/52/59/18/1101525918.db2.gz ASYYFQBYGYFMBP-IBGZPJMESA-N 1 1 363.505 4.101 20 30 FIEDMO C[N@@H+](CCNCc1cccc(OCc2ccccc2C#N)c1)C1CCCC1 ZINC000518777737 1101540189 /nfs/dbraw/zinc/54/01/89/1101540189.db2.gz SFOIBJLXCLKZCV-UHFFFAOYSA-N 1 1 363.505 4.101 20 30 FIEDMO CN(CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CCCC1 ZINC000518777737 1101540200 /nfs/dbraw/zinc/54/02/00/1101540200.db2.gz SFOIBJLXCLKZCV-UHFFFAOYSA-N 1 1 363.505 4.101 20 30 FIEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000537264015 1101608408 /nfs/dbraw/zinc/60/84/08/1101608408.db2.gz IOIYICCMWRHUHZ-ZVDOUQERSA-N 1 1 357.542 4.426 20 30 FIEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000426454510 1101655325 /nfs/dbraw/zinc/65/53/25/1101655325.db2.gz QCOURBKPBCZMRS-RHSMWYFYSA-N 1 1 357.523 4.092 20 30 FIEDMO CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000537400647 1101747852 /nfs/dbraw/zinc/74/78/52/1101747852.db2.gz FODDLHZAKGDPRL-ZHRRBRCNSA-N 1 1 369.484 4.440 20 30 FIEDMO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(OC)c1 ZINC000537400645 1101748592 /nfs/dbraw/zinc/74/85/92/1101748592.db2.gz FODDLHZAKGDPRL-OPAMFIHVSA-N 1 1 369.484 4.440 20 30 FIEDMO C=CCOc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187520462 1101810704 /nfs/dbraw/zinc/81/07/04/1101810704.db2.gz KDYMBRFZHVWBKJ-OAQYLSRUSA-N 1 1 351.425 4.003 20 30 FIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000476231608 1102058066 /nfs/dbraw/zinc/05/80/66/1102058066.db2.gz MEFVPTIEUGZRPK-DYESRHJHSA-N 1 1 372.472 4.446 20 30 FIEDMO C[C@H](CCNC(=O)C[C@@H](CC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000476240714 1102072029 /nfs/dbraw/zinc/07/20/29/1102072029.db2.gz VWAUSGZESFSUCS-DENIHFKCSA-N 1 1 363.505 4.101 20 30 FIEDMO CC(C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000610581447 1102128435 /nfs/dbraw/zinc/12/84/35/1102128435.db2.gz CZQPABVWSWGIAJ-UHFFFAOYSA-N 1 1 364.405 4.266 20 30 FIEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000532553131 1102471893 /nfs/dbraw/zinc/47/18/93/1102471893.db2.gz CFNWUCQVJUTHAM-KRWDZBQOSA-N 1 1 367.518 4.353 20 30 FIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)cc1 ZINC001168222430 1102541544 /nfs/dbraw/zinc/54/15/44/1102541544.db2.gz JACPCAMJFYEMTM-UHFFFAOYSA-N 1 1 358.485 4.403 20 30 FIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)c1C ZINC000303834266 1102581007 /nfs/dbraw/zinc/58/10/07/1102581007.db2.gz AINHYPCMBJMSOW-QFIPXVFZSA-N 1 1 361.489 4.387 20 30 FIEDMO CC[N@@H+](Cc1ccccc1N1CCO[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459313063 1102785015 /nfs/dbraw/zinc/78/50/15/1102785015.db2.gz XOLICHOEFBEJFA-OALUTQOASA-N 1 1 363.505 4.366 20 30 FIEDMO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260520 1103009795 /nfs/dbraw/zinc/00/97/95/1103009795.db2.gz YAXUQKLNQYDSCZ-FGZHOGPDSA-N 1 1 356.554 4.250 20 30 FIEDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C ZINC000477066394 1103072116 /nfs/dbraw/zinc/07/21/16/1103072116.db2.gz KHPAKUQPNVXAKP-ROUUACIJSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C ZINC000477066394 1103072132 /nfs/dbraw/zinc/07/21/32/1103072132.db2.gz KHPAKUQPNVXAKP-ROUUACIJSA-N 1 1 368.481 4.024 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 ZINC001211975567 1103132619 /nfs/dbraw/zinc/13/26/19/1103132619.db2.gz KVIYXVOONGDXHG-WMZOPIPTSA-N 1 1 361.461 4.262 20 30 FIEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)c2F)no1 ZINC001211975889 1103136544 /nfs/dbraw/zinc/13/65/44/1103136544.db2.gz SDZIRDSJSRBGIM-WBVHZDCISA-N 1 1 361.461 4.262 20 30 FIEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC001211976063 1103147694 /nfs/dbraw/zinc/14/76/94/1103147694.db2.gz YFMNKGDALACYJE-IRXDYDNUSA-N 1 1 365.424 4.093 20 30 FIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000507189085 1103187050 /nfs/dbraw/zinc/18/70/50/1103187050.db2.gz IGNUAJSLCKVXLE-FQEVSTJZSA-N 1 1 370.880 4.401 20 30 FIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000507189085 1103187055 /nfs/dbraw/zinc/18/70/55/1103187055.db2.gz IGNUAJSLCKVXLE-FQEVSTJZSA-N 1 1 370.880 4.401 20 30 FIEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000551465237 1103243141 /nfs/dbraw/zinc/24/31/41/1103243141.db2.gz FXEWSRACDHOCHN-UHFFFAOYSA-N 1 1 362.370 4.413 20 30 FIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507375636 1103332620 /nfs/dbraw/zinc/33/26/20/1103332620.db2.gz PJTVNZDMVYDYOF-ZDUSSCGKSA-N 1 1 358.367 4.418 20 30 FIEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(CC#N)c2)CC1)CC(C)C ZINC000455899508 1103615623 /nfs/dbraw/zinc/61/56/23/1103615623.db2.gz ATBSHRXTMHJANQ-UHFFFAOYSA-N 1 1 370.541 4.365 20 30 FIEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000461038738 1104041588 /nfs/dbraw/zinc/04/15/88/1104041588.db2.gz UUNIQDJBPINUFC-QGZVFWFLSA-N 1 1 365.477 4.003 20 30 FIEDMO CN(CC#Cc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441165880 1104178536 /nfs/dbraw/zinc/17/85/36/1104178536.db2.gz JHDNUSPBBLGWHP-FQEVSTJZSA-N 1 1 352.909 4.145 20 30 FIEDMO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438484541 1104182823 /nfs/dbraw/zinc/18/28/23/1104182823.db2.gz IUQDMXGUDLGTNN-OAHLLOKOSA-N 1 1 363.280 4.338 20 30 FIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438484541 1104182826 /nfs/dbraw/zinc/18/28/26/1104182826.db2.gz IUQDMXGUDLGTNN-OAHLLOKOSA-N 1 1 363.280 4.338 20 30 FIEDMO CC[N@@H+](CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(C)C ZINC000520396408 1104334312 /nfs/dbraw/zinc/33/43/12/1104334312.db2.gz PKBJNKKEAUPVOV-UHFFFAOYSA-N 1 1 365.477 4.005 20 30 FIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1-c1ccccc1 ZINC000520419903 1104336041 /nfs/dbraw/zinc/33/60/41/1104336041.db2.gz ZYTBRWQLUYKQDW-UHFFFAOYSA-N 1 1 363.509 4.443 20 30 FIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1-c1ccccc1 ZINC000520419903 1104336053 /nfs/dbraw/zinc/33/60/53/1104336053.db2.gz ZYTBRWQLUYKQDW-UHFFFAOYSA-N 1 1 363.509 4.443 20 30 FIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1F ZINC000126751422 1104362672 /nfs/dbraw/zinc/36/26/72/1104362672.db2.gz BBJIDVRAJNESLF-JTQLQIEISA-N 1 1 351.194 4.450 20 30 FIEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000112544279 1104370358 /nfs/dbraw/zinc/37/03/58/1104370358.db2.gz ZNXMKZDKNBHWPS-GDBMZVCRSA-N 1 1 363.552 4.157 20 30 FIEDMO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000328601444 1104532158 /nfs/dbraw/zinc/53/21/58/1104532158.db2.gz FMOURHCITGMEHL-OLZOCXBDSA-N 1 1 372.435 4.286 20 30 FIEDMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000328601444 1104532166 /nfs/dbraw/zinc/53/21/66/1104532166.db2.gz FMOURHCITGMEHL-OLZOCXBDSA-N 1 1 372.435 4.286 20 30 FIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC000328723900 1104534665 /nfs/dbraw/zinc/53/46/65/1104534665.db2.gz APRZYKWFWNGVRV-ZIFCJYIRSA-N 1 1 356.514 4.454 20 30 FIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000328738567 1104545582 /nfs/dbraw/zinc/54/55/82/1104545582.db2.gz MEZSEVKUFVELGQ-UATPHRJKSA-N 1 1 370.537 4.356 20 30 FIEDMO O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000328781515 1104566667 /nfs/dbraw/zinc/56/66/67/1104566667.db2.gz MXFKGUAFFBYUHA-FQEVSTJZSA-N 1 1 352.482 4.126 20 30 FIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000328795296 1104569240 /nfs/dbraw/zinc/56/92/40/1104569240.db2.gz TZCBCEDCALINOE-KRWDZBQOSA-N 1 1 357.498 4.052 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000328795297 1104569655 /nfs/dbraw/zinc/56/96/55/1104569655.db2.gz TZCBCEDCALINOE-QGZVFWFLSA-N 1 1 357.498 4.052 20 30 FIEDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328827621 1104572461 /nfs/dbraw/zinc/57/24/61/1104572461.db2.gz JPTLYCWAFJDBAP-ZFWWWQNUSA-N 1 1 368.424 4.013 20 30 FIEDMO C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000328839315 1104574822 /nfs/dbraw/zinc/57/48/22/1104574822.db2.gz OFWMUCJCFLZYBW-MSOLQXFVSA-N 1 1 371.525 4.269 20 30 FIEDMO C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000328839319 1104575320 /nfs/dbraw/zinc/57/53/20/1104575320.db2.gz OFWMUCJCFLZYBW-ROUUACIJSA-N 1 1 371.525 4.269 20 30 FIEDMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1C1CC1)C1CCCCC1 ZINC000328848521 1104577330 /nfs/dbraw/zinc/57/73/30/1104577330.db2.gz SYWVTQLQWWAYPH-RTWAWAEBSA-N 1 1 371.525 4.154 20 30 FIEDMO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000328991832 1104613820 /nfs/dbraw/zinc/61/38/20/1104613820.db2.gz SOTJASRIRRGPEH-LMMKCTJWSA-N 1 1 372.509 4.184 20 30 FIEDMO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000331049431 1104694911 /nfs/dbraw/zinc/69/49/11/1104694911.db2.gz XDGQTPJFDSAGGK-UONOGXRCSA-N 1 1 364.559 4.055 20 30 FIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000441468135 1104808737 /nfs/dbraw/zinc/80/87/37/1104808737.db2.gz GEUCYUMBFQVKRH-MDZRGWNJSA-N 1 1 359.901 4.240 20 30 FIEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000441468131 1104808809 /nfs/dbraw/zinc/80/88/09/1104808809.db2.gz GEUCYUMBFQVKRH-GPMSIDNRSA-N 1 1 359.901 4.240 20 30 FIEDMO CC(C)[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000520592130 1105021054 /nfs/dbraw/zinc/02/10/54/1105021054.db2.gz WIFBDFJZPOBJQP-QFIPXVFZSA-N 1 1 374.484 4.362 20 30 FIEDMO N#Cc1ccc(OC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)cc1 ZINC000475438999 1106918711 /nfs/dbraw/zinc/91/87/11/1106918711.db2.gz JPGSZUWAVMQVQK-UHFFFAOYSA-N 1 1 367.449 4.350 20 30 FIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000451150849 1106948871 /nfs/dbraw/zinc/94/88/71/1106948871.db2.gz UPECZIKFDKDAGS-UHFFFAOYSA-N 1 1 350.315 4.375 20 30 FIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000451189067 1106967271 /nfs/dbraw/zinc/96/72/71/1106967271.db2.gz RAXMKPFHZZTZAG-GQIGUUNPSA-N 1 1 358.445 4.375 20 30 FIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000530626847 1107207266 /nfs/dbraw/zinc/20/72/66/1107207266.db2.gz JXLMPHCIHUNYFR-APWZRJJASA-N 1 1 358.445 4.061 20 30 FIEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000451609749 1107208880 /nfs/dbraw/zinc/20/88/80/1107208880.db2.gz WAOJMHOMPXVUCM-FZZIBODNSA-N 1 1 354.237 4.038 20 30 FIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(Br)c1 ZINC000451986965 1107417603 /nfs/dbraw/zinc/41/76/03/1107417603.db2.gz YDVOWNGDCJCDBJ-MRXNPFEDSA-N 1 1 351.313 4.040 20 30 FIEDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152920 1107581463 /nfs/dbraw/zinc/58/14/63/1107581463.db2.gz RVLHPKRHPCJUBO-FCHUYYIVSA-N 1 1 363.505 4.100 20 30 FIEDMO COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(C#N)cc2)cc1 ZINC000475548641 1107708680 /nfs/dbraw/zinc/70/86/80/1107708680.db2.gz MYRQGKAZGBLRFA-UHFFFAOYSA-N 1 1 357.457 4.207 20 30 FIEDMO CC[N@H+]1C[C@@H](C)N(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000444671001 1108072957 /nfs/dbraw/zinc/07/29/57/1108072957.db2.gz CJUAWDIZOXSIEB-NHCUHLMSSA-N 1 1 361.533 4.301 20 30 FIEDMO OCC1(Cc2ccccc2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000444772484 1108169046 /nfs/dbraw/zinc/16/90/46/1108169046.db2.gz AQPNCZVKNUIHBF-UHFFFAOYSA-N 1 1 353.893 4.009 20 30 FIEDMO N#CC1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453209377 1108279848 /nfs/dbraw/zinc/27/98/48/1108279848.db2.gz IEVATKAVPZCQGQ-DXEGLPQDSA-N 1 1 351.538 4.349 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194012702 1108803344 /nfs/dbraw/zinc/80/33/44/1108803344.db2.gz DDGMZMQMSFAICR-HDICACEKSA-N 1 1 373.541 4.111 20 30 FIEDMO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194012702 1108803355 /nfs/dbraw/zinc/80/33/55/1108803355.db2.gz DDGMZMQMSFAICR-HDICACEKSA-N 1 1 373.541 4.111 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC2(CCCC2)C1 ZINC000445858585 1109013177 /nfs/dbraw/zinc/01/31/77/1109013177.db2.gz XZBNKWNOQHPCAQ-CQSZACIVSA-N 1 1 357.523 4.092 20 30 FIEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCC2(CCCC2)C1 ZINC000445858585 1109013182 /nfs/dbraw/zinc/01/31/82/1109013182.db2.gz XZBNKWNOQHPCAQ-CQSZACIVSA-N 1 1 357.523 4.092 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109624 1109339104 /nfs/dbraw/zinc/33/91/04/1109339104.db2.gz GVIXYJQEESMQNL-BEFAXECRSA-N 1 1 365.477 4.221 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)c(C#N)c1C ZINC000441109624 1109339110 /nfs/dbraw/zinc/33/91/10/1109339110.db2.gz GVIXYJQEESMQNL-BEFAXECRSA-N 1 1 365.477 4.221 20 30 FIEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441242793 1109504366 /nfs/dbraw/zinc/50/43/66/1109504366.db2.gz VNQCGOWCOAMKSB-LSDHHAIUSA-N 1 1 360.860 4.165 20 30 FIEDMO CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447855813 1109660228 /nfs/dbraw/zinc/66/02/28/1109660228.db2.gz VBZPTSGMGFPEQW-HTAPYJJXSA-N 1 1 372.472 4.008 20 30 FIEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447981757 1109690355 /nfs/dbraw/zinc/69/03/55/1109690355.db2.gz GPVNSKUOIMLDIE-MAUKXSAKSA-N 1 1 374.554 4.180 20 30 FIEDMO COc1cccc2c(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cccc12 ZINC000449041479 1109963029 /nfs/dbraw/zinc/96/30/29/1109963029.db2.gz NAJOTEMBKNRWGS-HSZRJFAPSA-N 1 1 358.441 4.294 20 30 FIEDMO COc1cccc2c(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cccc12 ZINC000449041479 1109963030 /nfs/dbraw/zinc/96/30/30/1109963030.db2.gz NAJOTEMBKNRWGS-HSZRJFAPSA-N 1 1 358.441 4.294 20 30 FIEDMO CCOc1cccc(Cl)c1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528782220 1110112291 /nfs/dbraw/zinc/11/22/91/1110112291.db2.gz JLRSHPQZBTWSML-UHFFFAOYSA-N 1 1 370.880 4.406 20 30 FIEDMO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC000026325643 1110144278 /nfs/dbraw/zinc/14/42/78/1110144278.db2.gz HOJGRPSSMZLXBZ-QGZVFWFLSA-N 1 1 357.457 4.021 20 30 FIEDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc2ccccc2c1 ZINC000026325643 1110144280 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PGDJROOIWRHQLH-RDTXWAMCSA-N 1 1 356.451 4.023 20 30 FIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(F)c(F)c1 ZINC000450782385 1110345016 /nfs/dbraw/zinc/34/50/16/1110345016.db2.gz UQYHWDOEHTZOEM-IBGZPJMESA-N 1 1 365.445 4.165 20 30 FIEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000538733312 1111268912 /nfs/dbraw/zinc/26/89/12/1111268912.db2.gz GRAIKEHWBKJLFN-SFHVURJKSA-N 1 1 356.473 4.411 20 30 FIEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3cc(F)ccc3F)C3CCCC3)n2c1 ZINC000538761953 1111290160 /nfs/dbraw/zinc/29/01/60/1111290160.db2.gz NEKWTGJMVVWXKE-UHFFFAOYSA-N 1 1 366.415 4.429 20 30 FIEDMO N#Cc1ccc2ncc(C[N@H+](Cc3cc(F)ccc3F)C3CCCC3)n2c1 ZINC000538761953 1111290163 /nfs/dbraw/zinc/29/01/63/1111290163.db2.gz NEKWTGJMVVWXKE-UHFFFAOYSA-N 1 1 366.415 4.429 20 30 FIEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c(C#N)c1C ZINC000539223230 1111481642 /nfs/dbraw/zinc/48/16/42/1111481642.db2.gz BHVYTVSINXUHBA-LSDHHAIUSA-N 1 1 369.465 4.233 20 30 FIEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000552257412 1111638150 /nfs/dbraw/zinc/63/81/50/1111638150.db2.gz FFBHBIBECRFSMT-RGEXLXHISA-N 1 1 364.489 4.257 20 30 FIEDMO C=CCC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280784 1111658336 /nfs/dbraw/zinc/65/83/36/1111658336.db2.gz SRDXQQOACOZEAG-RTWAWAEBSA-N 1 1 354.494 4.033 20 30 FIEDMO C=CCC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280784 1111658340 /nfs/dbraw/zinc/65/83/40/1111658340.db2.gz SRDXQQOACOZEAG-RTWAWAEBSA-N 1 1 354.494 4.033 20 30 FIEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553688343 1112056966 /nfs/dbraw/zinc/05/69/66/1112056966.db2.gz FSYJDQQGSJBVRU-SIKLNZKXSA-N 1 1 355.526 4.039 20 30 FIEDMO Cc1ccc2c(ncc(C#N)c2N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000480004735 1112228446 /nfs/dbraw/zinc/22/84/46/1112228446.db2.gz BQJFOORVGXXEQF-JSGCOSHPSA-N 1 1 373.298 4.072 20 30 FIEDMO Cc1ccc2c(ncc(C#N)c2N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000480004736 1112228489 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C=CC[N@@H+](CCc1c(C)noc1C)Cc1cc(Br)ccc1F ZINC000555642551 1112954869 /nfs/dbraw/zinc/95/48/69/1112954869.db2.gz VGNMQAMZVSHBSZ-UHFFFAOYSA-N 1 1 367.262 4.424 20 30 FIEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1cc(Br)ccc1F ZINC000555642551 1112954870 /nfs/dbraw/zinc/95/48/70/1112954870.db2.gz VGNMQAMZVSHBSZ-UHFFFAOYSA-N 1 1 367.262 4.424 20 30 FIEDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1sccc1C#N)C(C)(C)C2 ZINC000555679381 1112963401 /nfs/dbraw/zinc/96/34/01/1112963401.db2.gz QQUBWGUOFVREOE-UHFFFAOYSA-N 1 1 353.491 4.094 20 30 FIEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(F)c(F)c1 ZINC000481570897 1112985054 /nfs/dbraw/zinc/98/50/54/1112985054.db2.gz NDZWUPMPKPEQEV-GOSISDBHSA-N 1 1 363.408 4.096 20 30 FIEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000481598454 1112992076 /nfs/dbraw/zinc/99/20/76/1112992076.db2.gz VEVJQFUFCGBARC-IBGZPJMESA-N 1 1 364.823 4.141 20 30 FIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1)c1ccc(F)c(F)c1 ZINC000481617900 1112997563 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350.453 4.285 20 30 FIEDMO C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604122627 1115850151 /nfs/dbraw/zinc/85/01/51/1115850151.db2.gz WTUJKFPEETVUKU-MRXNPFEDSA-N 1 1 372.472 4.460 20 30 FIEDMO C=CCCCCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000606968234 1115987184 /nfs/dbraw/zinc/98/71/84/1115987184.db2.gz UHPXVFANNOKEFN-SFHVURJKSA-N 1 1 351.922 4.331 20 30 FIEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000172937249 1116004490 /nfs/dbraw/zinc/00/44/90/1116004490.db2.gz DVRXWWRHSQCOIY-VGOFRKELSA-N 1 1 371.488 4.208 20 30 FIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)Cc1cccc(C#N)c1 ZINC000063300303 1116039086 /nfs/dbraw/zinc/03/90/86/1116039086.db2.gz OMBXAAJFLIROKH-UHFFFAOYSA-N 1 1 365.502 4.297 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063750764 1116105469 /nfs/dbraw/zinc/10/54/69/1116105469.db2.gz ZMZFQSFYYNURAI-QHCPKHFHSA-N 1 1 361.489 4.036 20 30 FIEDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 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C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1cccc(Cl)c1 ZINC000535335539 1116296365 /nfs/dbraw/zinc/29/63/65/1116296365.db2.gz GQFPTQWKLKUBGN-MRXNPFEDSA-N 1 1 362.930 4.361 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535373691 1116298220 /nfs/dbraw/zinc/29/82/20/1116298220.db2.gz TWRKHAYADZSSHL-GOSISDBHSA-N 1 1 361.489 4.057 20 30 FIEDMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(C#N)c(F)c1 ZINC000539610440 1116352095 /nfs/dbraw/zinc/35/20/95/1116352095.db2.gz WNUXBMHKYGCLEA-SNVBAGLBSA-N 1 1 351.194 4.450 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)c3ccccc3n2)[C@@H]1c1cccs1 ZINC000462886427 1117827610 /nfs/dbraw/zinc/82/76/10/1117827610.db2.gz HMZCRTUTAOCFMZ-QVKFZJNVSA-N 1 1 362.502 4.085 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)c3ccccc3n2)[C@@H]1c1cccs1 ZINC000462886429 1117827690 /nfs/dbraw/zinc/82/76/90/1117827690.db2.gz HMZCRTUTAOCFMZ-YCRPNKLZSA-N 1 1 362.502 4.085 20 30 FIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540059566 1117847515 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ONDYLHCLLVJXQL-CTNGQTDRSA-N 1 1 368.477 4.011 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000610132266 1123949343 /nfs/dbraw/zinc/94/93/43/1123949343.db2.gz LBNMGKATARNUNP-UHFFFAOYSA-N 1 1 364.367 4.096 20 30 FIEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000610132975 1123949379 /nfs/dbraw/zinc/94/93/79/1123949379.db2.gz NUGQGTXEECRUON-LJQANCHMSA-N 1 1 368.502 4.044 20 30 FIEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1ccccc1OC ZINC000610132684 1123949467 /nfs/dbraw/zinc/94/94/67/1123949467.db2.gz XPUZJKDPQFIOMB-KRWDZBQOSA-N 1 1 368.477 4.427 20 30 FIEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137323603 1123969103 /nfs/dbraw/zinc/96/91/03/1123969103.db2.gz MVAIGLJLZNGUGP-UHFFFAOYSA-N 1 1 355.404 4.296 20 30 FIEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000179636398 1124022680 /nfs/dbraw/zinc/02/26/80/1124022680.db2.gz WILXECNOBGHIJX-APPDUMDISA-N 1 1 361.392 4.114 20 30 FIEDMO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000179633384 1124022879 /nfs/dbraw/zinc/02/28/79/1124022879.db2.gz OIZVPKOODWJCTP-INIZCTEOSA-N 1 1 363.433 4.194 20 30 FIEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301134748 1124195931 /nfs/dbraw/zinc/19/59/31/1124195931.db2.gz YCENUXDHMCWHCY-INIZCTEOSA-N 1 1 360.436 4.129 20 30 FIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301293159 1124212789 /nfs/dbraw/zinc/21/27/89/1124212789.db2.gz OHWLGYYKLBOQRG-GJZGRUSLSA-N 1 1 366.431 4.063 20 30 FIEDMO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4ccc(Cl)cc34)CC2)nc1 ZINC000301301142 1124214470 /nfs/dbraw/zinc/21/44/70/1124214470.db2.gz VAAURBRWOQEQBN-UHFFFAOYSA-N 1 1 363.852 4.236 20 30 FIEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)nc2ccccc21 ZINC000301412928 1124227473 /nfs/dbraw/zinc/22/74/73/1124227473.db2.gz AXULGWYMOGDAGF-IBGZPJMESA-N 1 1 356.473 4.065 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2snc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000301415967 1124228625 /nfs/dbraw/zinc/22/86/25/1124228625.db2.gz LZDMPCYIORGUIW-GXFFZTMASA-N 1 1 352.916 4.225 20 30 FIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301527691 1124238106 /nfs/dbraw/zinc/23/81/06/1124238106.db2.gz QJTYXMXKSHXBKP-HNAYVOBHSA-N 1 1 374.410 4.467 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301527689 1124239348 /nfs/dbraw/zinc/23/93/48/1124239348.db2.gz QJTYXMXKSHXBKP-DNVCBOLYSA-N 1 1 374.410 4.467 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2snc(Cl)c2C#N)CC1 ZINC000301679957 1124251433 /nfs/dbraw/zinc/25/14/33/1124251433.db2.gz SIFHHTCQPAOQEQ-CYBMUJFWSA-N 1 1 352.935 4.149 20 30 FIEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000301773245 1124259334 /nfs/dbraw/zinc/25/93/34/1124259334.db2.gz JZJZAJZDIUJAKC-LAUBAEHRSA-N 1 1 360.505 4.176 20 30 FIEDMO N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Br)c1 ZINC000301844510 1124264940 /nfs/dbraw/zinc/26/49/40/1124264940.db2.gz SJBZOZICYFIXTQ-INIZCTEOSA-N 1 1 360.255 4.163 20 30 FIEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2cc(C#N)ccc2n1 ZINC000301976137 1124274301 /nfs/dbraw/zinc/27/43/01/1124274301.db2.gz MHCNKGLXMNQBEE-HXUWFJFHSA-N 1 1 356.473 4.065 20 30 FIEDMO N#Cc1ccc2nc(NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2c1 ZINC000301983309 1124274739 /nfs/dbraw/zinc/27/47/39/1124274739.db2.gz RIOJSJHTWCGPCV-HXUWFJFHSA-N 1 1 356.473 4.083 20 30 FIEDMO N#Cc1ccc2nc(N3CCC[N@@H+](CCCc4ccccc4)CC3)ccc2c1 ZINC000301992366 1124276148 /nfs/dbraw/zinc/27/61/48/1124276148.db2.gz YVYRWCWSNFOCCH-UHFFFAOYSA-N 1 1 370.500 4.251 20 30 FIEDMO Cc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)c(N2CCCC2)[nH+]1 ZINC000302045217 1124279964 /nfs/dbraw/zinc/27/99/64/1124279964.db2.gz KFHMFDIGQQTWNO-UHFFFAOYSA-N 1 1 360.383 4.493 20 30 FIEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000302123706 1124285938 /nfs/dbraw/zinc/28/59/38/1124285938.db2.gz VJJWXDZAYSRKKA-QGZVFWFLSA-N 1 1 353.491 4.146 20 30 FIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)C1 ZINC000302178725 1124291645 /nfs/dbraw/zinc/29/16/45/1124291645.db2.gz PRRKYXKJOSFDGU-INIZCTEOSA-N 1 1 364.449 4.310 20 30 FIEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000302194517 1124294323 /nfs/dbraw/zinc/29/43/23/1124294323.db2.gz DCLKMPAXVRUHGV-RDTXWAMCSA-N 1 1 356.451 4.023 20 30 FIEDMO Cc1cccc(N2CCC(Nc3cc(C#N)ccc3C(F)(F)F)CC2)[nH+]1 ZINC000302313836 1124300498 /nfs/dbraw/zinc/30/04/98/1124300498.db2.gz UFRONVHBPBKYQI-UHFFFAOYSA-N 1 1 360.383 4.361 20 30 FIEDMO CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000108718682 1124381143 /nfs/dbraw/zinc/38/11/43/1124381143.db2.gz OUNWEGLKCFIICL-JTSKRJEESA-N 1 1 361.489 4.135 20 30 FIEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cn4ccsc4n3)c2)c1 ZINC000069061762 1124480067 /nfs/dbraw/zinc/48/00/67/1124480067.db2.gz YACPAPAZKIMZDL-UHFFFAOYSA-N 1 1 374.469 4.136 20 30 FIEDMO C=CCCC1(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1 ZINC000617416299 1124536570 /nfs/dbraw/zinc/53/65/70/1124536570.db2.gz JGIVWKBLLMQTIG-UHFFFAOYSA-N 1 1 355.526 4.249 20 30 FIEDMO C=CCn1c(C2CCC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000508904626 1124705746 /nfs/dbraw/zinc/70/57/46/1124705746.db2.gz VAVQOHCELFVGNU-GOSISDBHSA-N 1 1 371.573 4.213 20 30 FIEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000249428143 1124857379 /nfs/dbraw/zinc/85/73/79/1124857379.db2.gz IDMFCWZIZZFTKJ-CRAIPNDOSA-N 1 1 364.892 4.335 20 30 FIEDMO C=C(C)[C@H](CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)OCC ZINC000617866443 1124904545 /nfs/dbraw/zinc/90/45/45/1124904545.db2.gz MKUIDIYRKCDUTK-KRWDZBQOSA-N 1 1 373.522 4.200 20 30 FIEDMO CCC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000181668854 1125101877 /nfs/dbraw/zinc/10/18/77/1125101877.db2.gz KWYDAPRXKZDKMG-KRWDZBQOSA-N 1 1 361.392 4.116 20 30 FIEDMO COc1cccc(F)c1[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181824050 1125149479 /nfs/dbraw/zinc/14/94/79/1125149479.db2.gz HCALIBLYNMVTLO-INIZCTEOSA-N 1 1 367.468 4.021 20 30 FIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000466004011 1125283066 /nfs/dbraw/zinc/28/30/66/1125283066.db2.gz CFWWICYVFPYYEX-UHFFFAOYSA-N 1 1 355.482 4.019 20 30 FIEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000466004011 1125283071 /nfs/dbraw/zinc/28/30/71/1125283071.db2.gz CFWWICYVFPYYEX-UHFFFAOYSA-N 1 1 355.482 4.019 20 30 FIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000132161683 1125300385 /nfs/dbraw/zinc/30/03/85/1125300385.db2.gz RYZGBQFAPNXCIA-MRXNPFEDSA-N 1 1 373.928 4.328 20 30 FIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128644528 568114011 /nfs/dbraw/zinc/11/40/11/568114011.db2.gz CXAPNRZVRONVMW-UHFFFAOYSA-N 1 1 367.456 4.285 20 30 FIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128644528 568114012 /nfs/dbraw/zinc/11/40/12/568114012.db2.gz CXAPNRZVRONVMW-UHFFFAOYSA-N 1 1 367.456 4.285 20 30 FIEDMO CC[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000603852177 568166245 /nfs/dbraw/zinc/16/62/45/568166245.db2.gz DRROBSZUUKVJON-UHFFFAOYSA-N 1 1 369.896 4.151 20 30 FIEDMO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000603857405 568168663 /nfs/dbraw/zinc/16/86/63/568168663.db2.gz DWGMTNFQWWWIMO-GOSISDBHSA-N 1 1 370.324 4.258 20 30 FIEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000603857405 568168664 /nfs/dbraw/zinc/16/86/64/568168664.db2.gz DWGMTNFQWWWIMO-GOSISDBHSA-N 1 1 370.324 4.258 20 30 FIEDMO N#Cc1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC000481988810 568215758 /nfs/dbraw/zinc/21/57/58/568215758.db2.gz GXGGAFAUHLGAKZ-ICSRJNTNSA-N 1 1 366.896 4.098 20 30 FIEDMO N#Cc1ccc2ncc(C[N@H+](Cc3ccccc3Cl)CC3CC3)n2c1 ZINC000568814788 568230633 /nfs/dbraw/zinc/23/06/33/568230633.db2.gz UORUXKJLMWPYRJ-UHFFFAOYSA-N 1 1 350.853 4.272 20 30 FIEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccccc3Cl)CC3CC3)n2c1 ZINC000568814788 568230634 /nfs/dbraw/zinc/23/06/34/568230634.db2.gz UORUXKJLMWPYRJ-UHFFFAOYSA-N 1 1 350.853 4.272 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266989 568230637 /nfs/dbraw/zinc/23/06/37/568230637.db2.gz GDVMMMFUNLYJPH-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266989 568230638 /nfs/dbraw/zinc/23/06/38/568230638.db2.gz GDVMMMFUNLYJPH-CYBMUJFWSA-N 1 1 361.367 4.036 20 30 FIEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000569162347 568300994 /nfs/dbraw/zinc/30/09/94/568300994.db2.gz KGMIIDNHQNXRCD-UHFFFAOYSA-N 1 1 360.379 4.186 20 30 FIEDMO Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1C#N ZINC001164628536 719111199 /nfs/dbraw/zinc/11/11/99/719111199.db2.gz NLSRJYLWRKQJGW-FXAWDEMLSA-N 1 1 366.896 4.016 20 30 FIEDMO